Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
1,967 | C-13913-1160-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46682000
_cell_length_b 3.38079000
_cell_length_c 5.79958000
_cell_angle_alpha 81.39077000
_cell_angle_beta 64.78844000
_cell_angle_gamma 68.60687000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.74391685
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.50845972 0.23811671 0.64224077 1
C C1 1 0.81951291 0.16128968 0.36760474 1
C C2 1 0.53425229 0.98170911 0.24266296 1
C C3 1 0.83329258 0.53488003 0.16706404 1
C C4 1 0.54749176 0.35652204 0.04195813 1
C C5 1 0.86157434 0.28343934 0.76692375 1
| -154.15844 |
8,452 | C-56487-1364-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22389000
_cell_length_b 3.28507000
_cell_length_c 8.86892000
_cell_angle_alpha 85.10720000
_cell_angle_beta 93.37794000
_cell_angle_gamma 56.14187000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 100.97556420
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.28824711 0.31911981 0.16921833 1
C C1 1 0.16710571 0.55103704 0.54368994 1
C C2 1 0.44001011 0.35067065 0.67908220 1
C C3 1 0.77125178 0.36303822 0.67693224 1
C C4 1 0.37634066 0.16657095 0.80849011 1
C C5 1 0.87492610 0.12336431 0.31560796 1
C C6 1 -0.01128654 0.29188390 0.82553916 1
C C7 1 0.61714452 0.61322276 0.39787992 1
C C8 1 -0.09837664 0.43922303 0.18813685 1
C C9 1 0.64808554 0.91808426 0.26512083 1
C C10 1 0.31581679 0.59030810 0.05448319 1
C C11 1 0.70248714 0.46907820 0.03513302 1
C C12 1 0.22951860 0.73778689 0.41450636 1
C C13 1 0.73034691 -0.21673220 0.90771930 1
C C14 1 0.83577339 0.53921538 0.54633063 1
C C15 1 -0.04356148 -0.01069070 0.95844507 1
| -154.155159 |
7,704 | C-130532-5775-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42429000
_cell_length_b 4.21092000
_cell_length_c 5.86995000
_cell_angle_alpha 45.64589000
_cell_angle_beta 90.17619000
_cell_angle_gamma 90.10281000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.84694281
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.44032197 0.13270160 -0.05696501 1
C C1 1 -0.06041267 0.13170720 0.79231326 1
C C2 1 0.44014461 0.53971581 0.88230879 1
C C3 1 -0.06019603 0.53820692 0.44485290 1
C C4 1 0.94023701 0.72483046 0.85237968 1
C C5 1 0.43969090 0.72563980 0.29025059 1
| -154.295581 |
3,079 | C-134204-8080-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45510000
_cell_length_b 3.97378000
_cell_length_c 4.67031000
_cell_angle_alpha 81.01286000
_cell_angle_beta 48.68923000
_cell_angle_gamma 93.90835000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 59.68561949
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.74871707 1.02038611 0.14393586 1
C C1 1 1.06850292 0.33463594 0.50766344 1
C C2 1 0.29785328 0.56971713 0.14375307 1
C C3 1 0.30482439 0.57215077 0.82523571 1
C C4 1 0.77774223 0.04469504 0.63775788 1
C C5 1 0.61775478 0.88340783 0.50777619 1
C C6 1 0.06268001 0.33102778 0.82620703 1
C C7 1 0.58783222 0.86048939 1.01400462 1
| -154.199304 |
1,396 | C-13696-4228-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49277000
_cell_length_b 3.69987000
_cell_length_c 9.58255000
_cell_angle_alpha 59.99764000
_cell_angle_beta 82.54842000
_cell_angle_gamma 70.37659000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.01225973
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.33950794 1.20297319 0.76343446 1
C C1 1 -0.01068868 0.40670084 0.25355518 1
C C2 1 0.12156075 0.64459307 0.75231621 1
C C3 1 0.56320499 0.50142134 0.00964020 1
C C4 1 1.14994463 0.39062264 0.94250750 1
C C5 1 0.51441553 0.93510923 0.68254309 1
C C6 1 0.49181737 0.15569687 0.50023360 1
C C7 1 0.57825173 0.29254394 0.18945269 1
C C8 1 0.28735905 0.66858149 0.39928154 1
C C9 1 0.36611390 -0.01551085 0.92699115 1
C C10 1 0.78601908 -0.21971988 0.29002952 1
C C11 1 0.08007261 0.04389412 0.43489595 1
| -154.148013 |
381 | C-80186-3462-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28716000
_cell_length_b 3.28693000
_cell_length_c 4.94675000
_cell_angle_alpha 67.85037000
_cell_angle_beta 67.86625000
_cell_angle_gamma 81.85606000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.85555921
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.34975853 0.53097850 0.91690989 1
C C1 1 0.71132060 0.89248729 0.73609125 1
C C2 1 0.35023733 0.25281551 0.23633303 1
C C3 1 0.35009545 0.25264422 0.73639449 1
C C4 1 0.71138500 0.89249211 0.23613728 1
C C5 1 0.98895923 0.89221879 0.91687639 1
C C6 1 0.34976734 0.53104208 0.41696946 1
C C7 1 0.98909462 0.89239910 0.41681681 1
| -154.33432 |
4,342 | C-148284-9021-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45598000
_cell_length_b 6.08512000
_cell_length_c 6.17460000
_cell_angle_alpha 87.15285000
_cell_angle_beta 101.49066000
_cell_angle_gamma 101.63374000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 88.56739244
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.58833596 1.05892481 0.32966840 1
C C1 1 0.59564049 0.56585655 0.83562893 1
C C2 1 0.30100306 1.01257934 0.80788755 1
C C3 1 0.59572885 0.41027934 0.99314603 1
C C4 1 0.05632571 0.61610153 0.70942594 1
C C5 1 0.59031487 0.90457354 0.48862755 1
C C6 1 0.12749122 -0.14655749 0.61497324 1
C C7 1 0.87801636 0.45619146 0.51714108 1
C C8 1 0.12654546 0.18697855 0.27898034 1
C C9 1 0.87765225 1.08838854 0.88551641 1
C C10 1 0.05678069 0.28242396 0.04523414 1
C C11 1 0.30124380 0.38032638 0.43943599 1
| -154.155717 |
8,448 | C-13671-2117-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.67306000
_cell_length_b 4.82479000
_cell_length_c 6.42657000
_cell_angle_alpha 78.21205000
_cell_angle_beta 71.28537000
_cell_angle_gamma 76.63177000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 75.60883576
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.60882348 0.39227658 0.37108668 1
C C1 1 0.75705707 -0.06582403 0.13351410 1
C C2 1 -0.04977278 0.74110604 0.77890147 1
C C3 1 0.70067930 0.60322160 0.46753653 1
C C4 1 0.70321760 0.88074267 0.35839378 1
C C5 1 0.91201549 0.05317431 0.66067007 1
C C6 1 0.60434851 0.57603683 0.70694339 1
C C7 1 0.56415337 0.10402025 0.50023736 1
C C8 1 0.69852639 0.44213657 0.14048321 1
C C9 1 -0.26163914 0.21834008 1.01991101 1
C C10 1 0.78786090 0.70977289 0.02210702 1
C C11 1 0.71434560 0.27437970 0.80608199 1
| -154.185589 |
2,975 | C-177270-1673-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47790000
_cell_length_b 5.56795000
_cell_length_c 7.08512000
_cell_angle_alpha 88.38127000
_cell_angle_beta 100.09385000
_cell_angle_gamma 89.98143000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 96.19935307
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.07439982 0.68414274 0.40000344 1
C C1 1 0.43154525 0.59356445 0.11176021 1
C C2 1 0.38007967 0.35406034 1.01389415 1
C C3 1 0.65951898 0.19417052 0.57730880 1
C C4 1 0.56470211 0.06772113 0.38578824 1
C C5 1 0.21731062 0.12093782 0.69232068 1
C C6 1 0.98848104 0.60044427 0.22702491 1
C C7 1 0.90667689 -0.03162852 0.06715278 1
C C8 1 0.61268421 0.78446296 0.47551277 1
C C9 1 0.37289195 0.84514822 0.99795126 1
C C10 1 0.72664560 0.45808092 0.70869371 1
C C11 1 0.26171245 0.85428257 0.77457225 1
C C12 1 0.00513460 0.09150068 0.26522311 1
C C13 1 0.91186718 0.22839693 0.07758967 1
C C14 1 0.27457221 0.35705164 0.80202575 1
C C15 1 0.71832341 0.73673612 0.68971507 1
| -154.124768 |
1,289 | C-184056-7379-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44902000
_cell_length_b 3.95614000
_cell_length_c 4.54215000
_cell_angle_alpha 86.21309000
_cell_angle_beta 105.61252000
_cell_angle_gamma 90.04427000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.28450782
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.84031107 0.69352635 0.54521262 1
C C1 1 0.55767133 0.89582135 -0.01367619 1
C C2 1 0.71275535 1.03241907 0.29357468 1
C C3 1 0.99157550 0.82795700 0.85251057 1
C C4 1 0.24161524 0.21855761 0.35105747 1
C C5 1 0.30961851 0.50998982 0.48527405 1
| -154.265313 |
1,553 | C-136263-7925-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48813000
_cell_length_b 4.30477000
_cell_length_c 4.30577000
_cell_angle_alpha 60.00117000
_cell_angle_beta 54.71889000
_cell_angle_gamma 73.20509000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.60425743
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.36129017 0.59769143 0.16469483 1
C C1 1 0.36129017 0.26435810 0.83136150 1
C C2 1 0.36129017 0.93102476 0.49802817 1
C C3 1 0.61156707 0.59777310 0.41457733 1
C C4 1 0.61156707 0.26443977 0.08124400 1
C C5 1 0.61156707 0.93110644 0.74791067 1
| -154.546791 |
6,126 | C-145346-824-58 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92800000
_cell_length_b 4.98279000
_cell_length_c 3.80565000
_cell_angle_alpha 105.54297000
_cell_angle_beta 88.61755000
_cell_angle_gamma 122.97484000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 59.51502895
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.67680743 0.97947763 0.86606393 1
C C1 1 0.24086806 0.06661835 0.39162333 1
C C2 1 0.06020643 0.59526470 1.09411961 1
C C3 1 0.38594793 0.92094712 0.09492784 1
C C4 1 0.30111204 0.35660117 0.62434544 1
C C5 1 1.00271225 0.30543044 0.86520151 1
C C6 1 0.62699375 0.68239240 0.62287555 1
C C7 1 0.91462372 0.74072118 0.39035328 1
| -154.066994 |
2,675 | C-53836-3159-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48184000
_cell_length_b 3.68978000
_cell_length_c 4.84203000
_cell_angle_alpha 57.42158000
_cell_angle_beta 104.83342000
_cell_angle_gamma 109.66803000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.02738901
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.94798815 0.86530858 0.79662185 1
C C1 1 0.48975474 0.44884486 0.30069076 1
C C2 1 0.91146674 0.16113336 0.43164864 1
C C3 1 0.17190892 0.10410742 1.00343099 1
C C4 1 0.69131013 0.92204960 0.22501004 1
C C5 1 0.36958633 0.57774227 0.92750412 1
| -154.313487 |
3,629 | C-172926-5427-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40114000
_cell_length_b 4.17406000
_cell_length_c 4.44249000
_cell_angle_alpha 75.08913000
_cell_angle_beta 68.60192000
_cell_angle_gamma 75.52721000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 55.88349764
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.35957936 0.28277367 0.78279704 1
C C1 1 0.00086006 0.49734281 0.32789225 1
C C2 1 0.24506472 -0.06513112 -0.14261793 1
C C3 1 0.41935476 0.37135343 0.07566556 1
C C4 1 0.06175813 0.58409220 0.62111702 1
C C5 1 0.17694775 0.93199577 0.54660250 1
C C6 1 0.77731255 0.19849434 0.48872676 1
C C7 1 0.64328467 0.67017864 0.91519614 1
C C8 1 0.57521879 0.06833830 0.29078325 1
C C9 1 0.84606502 0.80123748 0.11275940 1
| -154.287692 |
1,740 | C-13647-2599-57 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49181000
_cell_length_b 5.13349000
_cell_length_c 7.46317000
_cell_angle_alpha 94.54677000
_cell_angle_beta 79.96254000
_cell_angle_gamma 86.91576000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 93.48682696
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.31644568 0.82714607 0.23638975 1
C C1 1 0.17206528 0.58867599 0.77446691 1
C C2 1 0.32780604 0.62062454 0.08149713 1
C C3 1 0.43480190 0.07500618 0.13618693 1
C C4 1 0.75991910 0.81978823 0.35045230 1
C C5 1 0.72309952 0.59689100 0.47829513 1
C C6 1 0.25539247 0.77880301 -0.07707058 1
C C7 1 0.69936947 -0.04446596 0.93833113 1
C C8 1 0.91370426 0.12213227 0.79462369 1
C C9 1 0.65957952 1.06169892 0.49189367 1
C C10 1 0.10044102 -0.00214705 0.60572389 1
C C11 1 1.15977439 0.68051017 0.59520774 1
C C12 1 1.00585335 0.36849812 0.85740176 1
C C13 1 -0.25170584 0.31367597 0.39345686 1
C C14 1 0.86780364 0.24036563 0.18788521 1
C C15 1 -0.13091130 0.45329800 0.06220649 1
| -154.072024 |
8,387 | C-184080-2077-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45247000
_cell_length_b 4.53933000
_cell_length_c 5.95581000
_cell_angle_alpha 43.08111000
_cell_angle_beta 78.05306000
_cell_angle_gamma 74.25926000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.58518035
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.16550862 0.58767839 0.64350264 1
C C1 1 0.26783619 0.07580369 -0.04928482 1
C C2 1 0.69550980 0.71757097 0.45418472 1
C C3 1 0.43267840 0.87352805 0.82628521 1
C C4 1 0.73697593 -0.05370880 0.14000245 1
C C5 1 0.00348726 0.78928911 0.76838911 1
| -154.224398 |
34 | C-50206-5930-65 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45081000
_cell_length_b 5.25574000
_cell_length_c 11.23965000
_cell_angle_alpha 86.48347000
_cell_angle_beta 87.12626000
_cell_angle_gamma 90.05870000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 144.32037601
_cell_formula_units_Z 24
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.10236517 0.47960306 0.84955823 1
C C1 1 0.64548148 0.48077156 0.65567041 1
C C2 1 1.21514256 0.97412672 0.69955123 1
C C3 1 0.78924401 0.53387061 0.19470202 1
C C4 1 0.29898664 0.57180256 0.11503591 1
C C5 1 0.28360722 0.13583105 0.27711179 1
C C6 1 0.79898162 0.22834198 0.21296596 1
C C7 1 1.24145204 -0.03645303 0.45323477 1
C C8 1 0.83680455 0.18996074 0.08330032 1
C C9 1 0.37573363 0.33914040 0.04053397 1
C C10 1 0.12107231 0.48005581 0.71651636 1
C C11 1 1.19981950 0.97692620 0.83007360 1
C C12 1 0.71808001 0.96245827 0.64184073 1
C C13 1 0.72764943 0.87329383 0.52096966 1
C C14 1 0.19678537 0.72623817 0.89444296 1
C C15 1 0.68767905 0.08146787 0.88796640 1
C C16 1 -0.24436536 0.95674950 0.01954630 1
C C17 1 0.57562717 0.35187194 0.90505478 1
C C18 1 0.25662552 0.79162531 0.02324254 1
C C19 1 0.74328427 0.43271444 0.41756428 1
C C20 1 0.70485486 0.57448535 0.52986105 1
C C21 1 0.77458016 0.67201798 0.31228564 1
C C22 1 0.27225484 0.84184760 0.32915661 1
C C23 1 0.25022374 0.25725296 0.40130907 1
| -154.087153 |
6,537 | C-134189-3129-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42719000
_cell_length_b 6.32554000
_cell_length_c 5.59838000
_cell_angle_alpha 95.78136000
_cell_angle_beta 103.12435000
_cell_angle_gamma 100.99744000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 81.23297303
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.09492985 0.86832572 0.56802141 1
C C1 1 0.70626779 0.72327584 0.31652733 1
C C2 1 0.95959353 0.39151295 0.15658394 1
C C3 1 0.44644655 0.80368622 0.71162033 1
C C4 1 0.63799468 0.94806625 0.96220374 1
C C5 1 0.22543262 0.05424665 0.03104553 1
C C6 1 0.60524506 0.22146646 0.60835190 1
C C7 1 1.38525949 0.27722436 1.12763423 1
C C8 1 0.31971969 0.56361128 0.70034355 1
C C9 1 0.11808662 0.61537027 0.24879420 1
C C10 1 0.75615810 0.45227322 0.67813434 1
C C11 1 0.03766770 0.10970699 0.58129841 1
| -154.22512 |
3,456 | C-134162-3158-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42806000
_cell_length_b 4.20147000
_cell_length_c 8.59880000
_cell_angle_alpha 40.03722000
_cell_angle_beta 90.15028000
_cell_angle_gamma 89.99960000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.42848627
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.53980100 0.63552444 0.40174312 1
C C1 1 0.54011337 0.96598291 0.40338607 1
C C2 1 0.53827296 0.13556169 0.90167378 1
C C3 1 0.03980413 0.46604115 0.40335079 1
C C4 1 0.53876639 0.46602250 -0.09668096 1
C C5 1 0.04010144 0.13555444 0.40172048 1
C C6 1 1.03876291 1.63563802 -0.09838151 1
C C7 1 1.03827960 -0.03389175 0.90326424 1
| -154.428213 |
6,542 | C-184068-6075-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44295000
_cell_length_b 4.22214000
_cell_length_c 10.43108000
_cell_angle_alpha 107.84171000
_cell_angle_beta 97.46698000
_cell_angle_gamma 89.96558000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 101.46051614
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.11429918 0.74107096 0.75180502 1
C C1 1 0.87577599 0.25571466 0.33419295 1
C C2 1 0.87460278 0.51589009 0.05746224 1
C C3 1 0.87671440 0.93085099 0.33580979 1
C C4 1 0.37307825 1.01413224 0.05554750 1
C C5 1 -0.12625872 0.18248280 0.05673681 1
C C6 1 0.39354254 0.44933595 0.36744904 1
C C7 1 0.12664664 0.10079447 0.77513220 1
C C8 1 0.37319870 0.68146968 0.05590507 1
C C9 1 0.62809934 0.26756937 0.77867244 1
C C10 1 1.02335645 0.65092228 0.59158636 1
C C11 1 0.37890866 0.77081361 0.34022435 1
C C12 1 0.63133519 0.59623286 0.78334863 1
C C13 1 0.48660808 0.60076662 0.52715141 1
| -154.182218 |
5,795 | C-148256-2422-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47032000
_cell_length_b 3.38408000
_cell_length_c 10.90595000
_cell_angle_alpha 102.25410000
_cell_angle_beta 96.45355000
_cell_angle_gamma 111.44276000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 81.09788209
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.54850969 0.24604442 0.73642931 1
C C1 1 0.46806603 0.33961199 0.49598263 1
C C2 1 0.28311215 0.41448632 0.03748248 1
C C3 1 0.46079694 0.96625101 0.83700833 1
C C4 1 0.20054349 0.48468332 0.79935894 1
C C5 1 0.81855381 0.10365702 0.43284572 1
C C6 1 0.64694296 -0.10516264 0.29533057 1
C C7 1 1.05691797 0.77820559 0.23262585 1
C C8 1 0.72813331 0.82067969 0.53353791 1
C C9 1 0.38023391 0.05948396 0.59647615 1
C C10 1 0.87304809 0.53176682 0.10014891 1
C C11 1 0.11042966 0.20235552 0.90010431 1
| -154.176005 |
558 | C-27821-4829-68 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45904000
_cell_length_b 7.62645000
_cell_length_c 8.91879000
_cell_angle_alpha 119.92011000
_cell_angle_beta 102.47943000
_cell_angle_gamma 91.85073000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C22
_cell_volume 139.59078578
_cell_formula_units_Z 22
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.11564388 0.31982065 0.07629361 1
C C1 1 0.05230932 0.43347642 -0.00102035 1
C C2 1 0.61705345 0.75150580 0.08683377 1
C C3 1 0.37160151 0.47417439 0.77306525 1
C C4 1 0.73398428 0.71087422 0.36144151 1
C C5 1 0.86918602 0.56765879 0.74324793 1
C C6 1 0.77140378 0.85049775 0.29463776 1
C C7 1 1.19072827 0.25922993 0.62589477 1
C C8 1 0.62214442 0.13642200 0.56283216 1
C C9 1 0.35343740 -0.01123520 0.35731145 1
C C10 1 0.41016221 0.89023627 0.82729850 1
C C11 1 0.23401414 0.64457230 0.39160071 1
C C12 1 0.64795525 0.26114096 0.12109501 1
C C13 1 0.94227913 0.81592661 0.86891960 1
C C14 1 0.53146665 0.51412162 -0.03324948 1
C C15 1 -0.20022359 0.52901947 0.56133484 1
C C16 1 0.31382596 -0.01776560 0.72546795 1
C C17 1 0.26586537 0.55268319 0.49552667 1
C C18 1 0.72284762 0.15955389 0.21081751 1
C C19 1 1.09367012 0.84074473 0.05315210 1
C C20 1 0.76363449 1.01973870 0.66470287 1
C C21 1 0.23216341 0.06801202 0.22686079 1
| -154.147812 |
9,786 | C-152573-9805-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47990000
_cell_length_b 3.68786000
_cell_length_c 4.89745000
_cell_angle_alpha 93.01068000
_cell_angle_beta 120.38222000
_cell_angle_gamma 109.61757000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00722880
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.78029009 0.07344716 0.69372319 1
C C1 1 0.65679395 0.67612284 0.76936572 1
C C2 1 0.20920972 0.51919307 0.90027212 1
C C3 1 1.03838626 1.03298958 0.47157470 1
C C4 1 1.16126204 0.42995413 0.39555626 1
C C5 1 0.60920834 0.58727061 0.26503320 1
| -154.319135 |
5,750 | C-134223-2022-62 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48302000
_cell_length_b 3.82216000
_cell_length_c 5.22498000
_cell_angle_alpha 98.73499000
_cell_angle_beta 90.10116000
_cell_angle_gamma 108.90712000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.29910429
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.63028645 0.40347265 0.70363168 1
C C1 1 0.66830349 0.47780439 0.42387599 1
C C2 1 0.87005903 0.88126779 0.48211481 1
C C3 1 0.90563595 -0.04385097 0.20257501 1
C C4 1 0.41733989 0.97547749 0.64739024 1
C C5 1 0.12087625 0.38381595 0.25910226 1
C C6 1 0.24121021 0.62577883 0.81014331 1
C C7 1 0.29441574 0.73322157 0.09674550 1
| -154.221971 |
4,533 | C-145300-1207-55 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32670000
_cell_length_b 4.27216000
_cell_length_c 4.91905000
_cell_angle_alpha 119.47444000
_cell_angle_beta 86.76032000
_cell_angle_gamma 105.21850000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.50799972
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.97963348 -0.02532374 0.72518674 1
C C1 1 0.69635820 0.16102386 0.19659830 1
C C2 1 0.22658225 0.97341840 0.48340763 1
C C3 1 -0.01447551 0.28946966 0.03570572 1
C C4 1 0.66990821 0.65639179 0.71990340 1
C C5 1 0.53643618 0.29167296 0.48853205 1
C C6 1 0.51148105 0.78686273 0.01237343 1
C C7 1 0.22053304 0.65866253 0.17271245 1
| -154.200116 |
4,930 | C-90863-258-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31745000
_cell_length_b 3.33591000
_cell_length_c 4.67989000
_cell_angle_alpha 110.89034000
_cell_angle_beta 89.81171000
_cell_angle_gamma 90.17563000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.38614425
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.35817698 0.71818392 -0.02483876 1
C C1 1 0.68490947 0.35553549 0.95401816 1
C C2 1 0.72710161 0.37298268 0.28442295 1
C C3 1 0.62595271 0.89396710 0.78814643 1
C C4 1 0.46227494 0.73516568 0.47147064 1
C C5 1 0.40135118 0.03174618 0.30589000 1
C C6 1 1.10757464 0.40454060 0.45819425 1
C C7 1 -0.02272882 0.57777366 0.80221913 1
| -154.146328 |
7,822 | C-90809-799-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48778000
_cell_length_b 3.51644000
_cell_length_c 4.97608000
_cell_angle_alpha 89.99400000
_cell_angle_beta 90.00595000
_cell_angle_gamma 90.00261000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.53138975
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.51677894 0.10860246 0.76250054 1
C C1 1 0.51661892 0.85874418 0.01250054 1
C C2 1 1.01665763 0.60860321 0.01250054 1
C C3 1 0.01665763 0.60860321 0.51250054 1
C C4 1 0.51677894 1.10860246 0.26250054 1
C C5 1 0.51661892 0.85874418 0.51250054 1
C C6 1 0.01688655 0.35874524 0.26250054 1
C C7 1 1.01688655 0.35874524 0.76250054 1
| -154.548693 |
6,569 | C-28228-7733-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85761000
_cell_length_b 4.34938000
_cell_length_c 3.93396000
_cell_angle_alpha 69.87113000
_cell_angle_beta 81.00032000
_cell_angle_gamma 42.80252000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 63.21199270
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.25553490 0.96958638 0.02498054 1
C C1 1 0.76971739 0.08493264 0.20614785 1
C C2 1 0.13046956 0.64665620 0.82704579 1
C C3 1 0.68801049 0.56745040 0.56542172 1
C C4 1 0.52256122 0.48532828 0.35314778 1
C C5 1 0.44179117 0.96679286 0.71302573 1
C C6 1 0.37647383 0.36138401 0.62348699 1
C C7 1 -0.04500634 1.08328320 0.89220664 1
C C8 1 1.07845829 0.40797356 0.08831270 1
C C9 1 0.83371509 0.69162988 0.29351627 1
| -154.071164 |
4,349 | C-53834-8651-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47356000
_cell_length_b 3.26037000
_cell_length_c 8.32385000
_cell_angle_alpha 86.86059000
_cell_angle_beta 81.44684000
_cell_angle_gamma 67.65162000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 61.39672496
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.22432241 0.91067838 0.19599016 1
C C1 1 0.97642134 0.27290436 0.33051922 1
C C2 1 0.66013320 0.27274316 0.96275730 1
C C3 1 0.42579717 0.27328329 0.43344933 1
C C4 1 -0.26085227 0.27584189 0.80139247 1
C C5 1 0.28831679 0.27504559 0.70495712 1
C C6 1 0.54040467 0.91256156 0.56695681 1
C C7 1 0.11283622 0.27124082 0.05918656 1
C C8 1 0.17955004 0.63496606 0.56690475 1
C C9 1 0.86391103 0.63270968 0.19596759 1
| -154.286606 |
5,468 | C-73621-2756-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44316000
_cell_length_b 4.86196000
_cell_length_c 6.25006000
_cell_angle_alpha 98.06737000
_cell_angle_beta 101.25400000
_cell_angle_gamma 120.17855000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 60.40454355
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.75551433 0.87164299 0.96236204 1
C C1 1 0.79984932 0.59373549 0.60959900 1
C C2 1 0.49162734 0.06246735 0.05310750 1
C C3 1 0.46886358 0.71088561 0.71370289 1
C C4 1 0.43938490 0.33164891 0.40953684 1
C C5 1 -0.22771421 0.21755877 0.30364886 1
C C6 1 0.45021292 0.54482632 1.00498447 1
C C7 1 0.80258922 0.39201946 0.01545330 1
| -154.195126 |
8,362 | C-13917-4320-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42988000
_cell_length_b 2.96715000
_cell_length_c 6.41690000
_cell_angle_alpha 82.02226000
_cell_angle_beta 79.10849000
_cell_angle_gamma 74.64170000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.61606563
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.05225580 1.10162474 0.58227487 1
C C1 1 0.61441057 0.10130168 0.24921177 1
C C2 1 0.16990380 0.10049238 0.13839569 1
C C3 1 0.50324486 0.10069657 0.47164176 1
C C4 1 0.83621692 1.10106747 0.80463518 1
C C5 1 0.28062265 1.10129337 0.91600744 1
| -154.441007 |
8,264 | C-53848-9695-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38066000
_cell_length_b 2.46024000
_cell_length_c 5.31125000
_cell_angle_alpha 90.06297000
_cell_angle_beta 84.25326000
_cell_angle_gamma 69.02897000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.00908067
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.41718931 0.59171081 1.00390911 1
C C1 1 0.48159788 0.55558403 0.72796569 1
C C2 1 0.76576047 0.41841196 0.19903412 1
C C3 1 0.50780759 0.04273161 0.60144718 1
C C4 1 0.57120309 0.01452866 0.32539066 1
C C5 1 0.22296595 1.18830893 0.13061384 1
| -154.143181 |
9,803 | C-126161-9940-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49624000
_cell_length_b 4.35705000
_cell_length_c 4.35472000
_cell_angle_alpha 59.99563000
_cell_angle_beta 90.00017000
_cell_angle_gamma 89.99881000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.01574681
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.17369104 0.32579305 0.00520186 1
C C1 1 0.32629648 0.87735018 0.55677288 1
C C2 1 0.82630688 0.98086452 0.35012599 1
C C3 1 1.32631000 0.53239413 0.90194253 1
C C4 1 0.82690976 -0.01892718 1.00482100 1
C C5 1 0.32690012 -0.12249790 0.90176493 1
| -154.157193 |
4,965 | C-136221-5891-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05820000
_cell_length_b 2.43053000
_cell_length_c 6.83235000
_cell_angle_alpha 58.43372000
_cell_angle_beta 93.94383000
_cell_angle_gamma 88.26921000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.03714317
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.40570082 0.88719674 -0.02947810 1
C C1 1 0.51460679 0.22054522 0.08220756 1
C C2 1 0.84820049 0.22058218 0.41551439 1
C C3 1 -0.26070548 0.88723371 0.30382873 1
C C4 1 1.07257651 0.88724596 0.63716513 1
C C5 1 0.18132481 0.22053297 0.74887116 1
| -154.441656 |
7,696 | C-130526-2423-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47920000
_cell_length_b 3.68545000
_cell_length_c 4.82145000
_cell_angle_alpha 68.75105000
_cell_angle_beta 75.18744000
_cell_angle_gamma 109.69369000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.89072162
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.15416725 -0.02744423 0.52919841 1
C C1 1 1.13039219 0.62703875 0.23097065 1
C C2 1 0.17075558 0.21207763 0.73596087 1
C C3 1 0.83912507 0.91437039 0.10054456 1
C C4 1 0.85522011 1.15371397 0.30768105 1
C C5 1 -0.12070090 0.49943470 0.60553976 1
| -154.300431 |
9,072 | C-136212-1087-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47777000
_cell_length_b 2.47860000
_cell_length_c 6.31257000
_cell_angle_alpha 90.00903000
_cell_angle_beta 101.32576000
_cell_angle_gamma 120.03108000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.68793120
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.50421026 0.30727247 0.94911593 1
C C1 1 0.78394951 0.45002364 0.36669001 1
C C2 1 0.89265520 0.00232177 1.03235699 1
C C3 1 0.06075686 0.08849111 0.28305416 1
C C4 1 0.95204614 0.53173160 0.61770974 1
C C5 1 1.34095523 0.22545071 0.70145069 1
| -154.528395 |
6,540 | C-126153-9712-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46143000
_cell_length_b 3.63320000
_cell_length_c 4.48682000
_cell_angle_alpha 73.58376000
_cell_angle_beta 95.31244000
_cell_angle_gamma 63.42639000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.28267322
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.79020698 0.87116356 0.22513988 1
C C1 1 0.22097155 0.73002233 0.78046392 1
C C2 1 0.75277188 0.11841032 0.45830774 1
C C3 1 0.18532881 0.97578845 0.01459397 1
C C4 1 0.06013127 0.39149607 0.45836068 1
C C5 1 0.91356741 0.45663146 0.78049022 1
| -154.201494 |
3,223 | C-134208-315-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43170000
_cell_length_b 6.28671000
_cell_length_c 6.84737000
_cell_angle_alpha 121.66989000
_cell_angle_beta 116.06298000
_cell_angle_gamma 79.36395000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 79.88535699
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.87040565 0.55167227 0.85025110 1
C C1 1 1.13637127 0.89213187 0.83647931 1
C C2 1 0.41325472 0.15223870 0.69295766 1
C C3 1 0.20312314 0.67801242 0.43743538 1
C C4 1 0.29863149 1.11916993 0.09129181 1
C C5 1 0.36726109 0.33329978 0.09171811 1
C C6 1 1.01868620 0.30587858 0.83741067 1
C C7 1 0.15553413 0.12075939 0.43720499 1
C C8 1 0.60819836 0.57142606 0.32480518 1
C C9 1 0.30831234 0.65902338 0.84941623 1
C C10 1 0.52657882 0.11470516 0.32465510 1
C C11 1 0.45426319 0.90211885 0.69289336 1
| -154.159317 |
6,150 | C-152589-5332-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45255000
_cell_length_b 5.48737000
_cell_length_c 4.86410000
_cell_angle_alpha 89.99172000
_cell_angle_beta 89.97382000
_cell_angle_gamma 63.49565000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.58134056
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.33189761 0.13366274 0.17976101 1
C C1 1 0.33156487 0.13372449 0.52198872 1
C C2 1 0.46724986 0.49738981 0.35084115 1
C C3 1 0.48947481 0.47480022 0.85081275 1
C C4 1 0.65820334 0.30566634 0.58937188 1
C C5 1 0.78850328 0.67443912 0.35107127 1
C C6 1 0.65847207 0.30563268 0.11188130 1
C C7 1 0.62313664 0.84277946 0.10453775 1
C C8 1 0.78550060 0.67804893 0.85104233 1
C C9 1 0.62278982 0.84287702 0.59753504 1
| -154.172744 |
9,448 | C-9599-351-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52717000
_cell_length_b 4.29763000
_cell_length_c 5.07608000
_cell_angle_alpha 59.62463000
_cell_angle_beta 83.31426000
_cell_angle_gamma 94.96391000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.55428507
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.69892907 0.89672997 0.08209293 1
C C1 1 0.13235630 0.39618602 0.07151901 1
C C2 1 0.75698530 0.76741010 0.40382663 1
C C3 1 0.95171373 1.09390774 0.43021581 1
C C4 1 0.23239878 -0.19933666 0.96266127 1
C C5 1 0.61021558 0.42886244 0.63010986 1
C C6 1 0.41480340 0.10237687 0.60372129 1
C C7 1 0.66605644 0.29994313 0.95199720 1
| -154.06892 |
6,051 | C-56489-4783-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47535000
_cell_length_b 4.79350000
_cell_length_c 4.18458000
_cell_angle_alpha 64.09188000
_cell_angle_beta 89.99923000
_cell_angle_gamma 90.00239000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.66222881
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.78503566 0.35273847 0.38898945 1
C C1 1 0.28490822 0.86403148 0.63342716 1
C C2 1 0.28474939 0.86333522 0.00358784 1
C C3 1 0.78488263 0.70931164 0.58076357 1
C C4 1 0.28503169 0.19701530 -0.03225692 1
C C5 1 -0.21519463 0.70906155 0.21134881 1
C C6 1 0.28503602 0.19759094 0.33648192 1
C C7 1 0.78501193 0.35211719 0.76012868 1
| -154.40906 |
3,979 | C-130522-136-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48051000
_cell_length_b 5.80582000
_cell_length_c 5.75079000
_cell_angle_alpha 78.82999000
_cell_angle_beta 126.87129000
_cell_angle_gamma 127.79948000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 70.61790368
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.14656568 0.29663118 0.84730130 1
C C1 1 0.49720448 0.18334498 0.63753389 1
C C2 1 0.41872469 0.28237733 0.13761617 1
C C3 1 0.52482238 0.85091196 0.14114894 1
C C4 1 0.06799277 0.39560822 0.34733377 1
C C5 1 0.12595489 0.16689015 0.28771809 1
C C6 1 1.05543011 0.87810906 0.63274760 1
C C7 1 1.43928573 0.41206233 0.69717977 1
C C8 1 0.04049656 0.72802276 0.84370076 1
C C9 1 0.50974271 0.70077722 0.35206411 1
| -154.091611 |
9,589 | C-56471-7021-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52548000
_cell_length_b 3.37120000
_cell_length_c 6.58169000
_cell_angle_alpha 83.08158000
_cell_angle_beta 99.83197000
_cell_angle_gamma 133.76679000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 71.44840936
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.40147249 0.46881156 0.49835590 1
C C1 1 0.73224811 0.11214156 0.50035394 1
C C2 1 -0.16783244 0.79203977 0.23714615 1
C C3 1 0.03351962 0.29232320 0.36181910 1
C C4 1 0.70796846 0.75133246 0.84741590 1
C C5 1 0.94699801 0.28902392 0.72078659 1
C C6 1 0.17345451 0.79510420 0.23465971 1
C C7 1 1.06167042 0.75214545 0.83366069 1
C C8 1 0.53736200 0.29122759 0.37634161 1
C C9 1 0.30748090 0.31637090 0.71859791 1
C C10 1 1.30185384 0.79325567 0.03792503 1
C C11 1 0.60024849 0.77851633 0.04328478 1
| -154.207014 |
4,934 | C-149241-6086-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38321000
_cell_length_b 4.81858000
_cell_length_c 10.18569000
_cell_angle_alpha 102.45758000
_cell_angle_beta 77.78627000
_cell_angle_gamma 121.57222000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C22
_cell_volume 137.16651373
_cell_formula_units_Z 22
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.90350985 0.54967545 0.01887109 1
C C1 1 0.75103551 0.54381655 0.55826869 1
C C2 1 0.63225791 0.34330703 -0.09568712 1
C C3 1 0.47900944 0.72027098 0.23465087 1
C C4 1 0.90870876 0.34518508 0.78841822 1
C C5 1 0.09042028 0.36298764 0.21414968 1
C C6 1 0.73065718 0.26923391 0.34313186 1
C C7 1 0.78081313 0.97990673 0.00597040 1
C C8 1 -0.22004769 0.78326988 0.68250871 1
C C9 1 0.26887370 1.11404181 0.16888806 1
C C10 1 0.30147954 0.97296016 0.27996057 1
C C11 1 0.77134316 0.09541786 0.43416133 1
C C12 1 0.78947961 0.27725763 0.09739288 1
C C13 1 0.72201019 0.55459802 0.42853822 1
C C14 1 0.73930929 0.22955233 0.56148120 1
C C15 1 0.33387997 0.65269347 0.78342063 1
C C16 1 0.35044738 0.78809196 -0.06441070 1
C C17 1 0.19420485 0.89011735 0.75356694 1
C C18 1 0.69195297 0.08418281 0.68025565 1
C C19 1 0.20347993 0.02833143 0.90620302 1
C C20 1 -0.20152078 -0.18569270 0.35651515 1
C C21 1 0.82821203 0.81657022 0.10716215 1
| -154.098755 |
88 | C-142785-5183-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37895000
_cell_length_b 4.24306000
_cell_length_c 5.42742000
_cell_angle_alpha 63.56774000
_cell_angle_beta 84.16175000
_cell_angle_gamma 76.36198000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.71380028
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.94072785 0.10043640 0.62788197 1
C C1 1 0.75125872 0.87142433 0.52343742 1
C C2 1 -0.15821969 0.71271011 0.08866071 1
C C3 1 0.53623175 0.28696343 0.70618616 1
C C4 1 0.18885406 0.07676541 0.16911090 1
C C5 1 0.18575016 0.81515373 0.86972689 1
C C6 1 0.55905847 0.57823788 0.78400668 1
C C7 1 0.43760049 0.98505803 -0.03760036 1
C C8 1 0.77980860 0.37623883 0.08536453 1
C C9 1 0.46769741 0.18279808 0.30662050 1
C C10 1 0.01408860 0.73413960 0.33513872 1
C C11 1 0.24120468 0.35882557 0.47982789 1
| -154.195405 |
2,514 | C-130524-1316-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42936000
_cell_length_b 3.19902000
_cell_length_c 6.46051000
_cell_angle_alpha 74.97885000
_cell_angle_beta 110.88729000
_cell_angle_gamma 109.79060000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.58729448
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.20295056 0.44858949 0.64371446 1
C C1 1 0.53328739 -0.22313927 0.30938637 1
C C2 1 0.41994831 -0.00348389 0.08680966 1
C C3 1 0.86738122 1.11038127 0.97656234 1
C C4 1 0.08791305 0.66542733 0.42071130 1
C C5 1 0.75701567 0.33599367 0.75492157 1
| -154.453499 |
3,523 | C-145389-5770-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44291000
_cell_length_b 4.19248000
_cell_length_c 6.50024000
_cell_angle_alpha 70.92879000
_cell_angle_beta 79.26186000
_cell_angle_gamma 89.94361000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 61.68989609
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.12689244 0.93415229 0.01194117 1
C C1 1 0.37929094 0.09715029 1.00018446 1
C C2 1 1.18090497 0.48932378 0.39947598 1
C C3 1 0.85641378 0.56997311 0.04830814 1
C C4 1 0.73353791 0.48298799 0.29357607 1
C C5 1 0.07689297 0.53193957 0.60817322 1
C C6 1 0.52422601 0.54137616 0.71345541 1
C C7 1 0.40051665 0.46311971 0.95792385 1
| -154.223048 |
5,627 | C-193940-9208-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48633000
_cell_length_b 4.30240000
_cell_length_c 3.51824000
_cell_angle_alpha 114.14770000
_cell_angle_beta 90.02107000
_cell_angle_gamma 73.29709000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.59586788
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.74275725 0.51417953 0.69226240 1
C C1 1 0.24262549 0.51430377 0.44228620 1
C C2 1 0.07610794 0.84751923 0.35896444 1
C C3 1 0.57597617 0.84764348 0.10898825 1
C C4 1 0.90929492 0.18097365 0.77564120 1
C C5 1 0.40943851 0.18084936 0.02560944 1
| -154.542729 |
9,672 | C-142748-3187-61 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43216000
_cell_length_b 4.49635000
_cell_length_c 6.04154000
_cell_angle_alpha 68.78484000
_cell_angle_beta 107.31482000
_cell_angle_gamma 97.91106000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.76731626
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.36188612 0.45641172 0.67799116 1
C C1 1 0.19529389 0.29026382 0.51148079 1
C C2 1 0.86182713 -0.04329155 0.17781335 1
C C3 1 -0.05500900 0.54079598 0.76084865 1
C C4 1 0.44485405 0.04140257 0.26046921 1
C C5 1 0.69540477 0.78987942 1.01172801 1
C C6 1 0.61132402 0.20773055 0.42689514 1
C C7 1 1.11147993 0.70707538 0.92730529 1
| -154.462058 |
2,315 | C-76050-9799-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48440000
_cell_length_b 3.82161000
_cell_length_c 5.22511000
_cell_angle_alpha 81.23385000
_cell_angle_beta 90.02199000
_cell_angle_gamma 108.94238000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.31064931
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.90453666 0.28946665 0.86373637 1
C C1 1 0.35892991 0.19591822 0.02835041 1
C C2 1 -0.13267725 0.21579210 0.58402425 1
C C3 1 0.53297573 0.54567642 0.19168881 1
C C4 1 0.65215646 0.78712660 0.64245117 1
C C5 1 0.10639864 0.69315666 0.80743827 1
C C6 1 0.47716369 0.43751218 0.47852915 1
C C7 1 0.14332336 0.76800858 0.08682188 1
| -154.220518 |
3,891 | C-134213-109-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43228000
_cell_length_b 3.11623000
_cell_length_c 7.61895000
_cell_angle_alpha 93.33169000
_cell_angle_beta 89.80607000
_cell_angle_gamma 89.49519000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.64788476
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.04740281 1.15561846 0.36979607 1
C C1 1 0.54752421 0.39090581 0.11721895 1
C C2 1 0.04744678 0.64424437 0.86781138 1
C C3 1 0.54735386 0.56157449 -0.04819348 1
C C4 1 0.54737088 -0.09470237 0.61985462 1
C C5 1 1.04729656 -0.17774372 0.70383586 1
C C6 1 0.54730497 1.07749691 0.45476512 1
C C7 1 0.04740854 0.31286835 0.20215089 1
| -154.459593 |
4,544 | C-9624-7158-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45667000
_cell_length_b 3.66430000
_cell_length_c 6.45524000
_cell_angle_alpha 82.10502000
_cell_angle_beta 100.94413000
_cell_angle_gamma 70.47274000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.48999506
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.77244510 0.96389928 0.11248103 1
C C1 1 0.18865857 -0.01411484 0.96668678 1
C C2 1 0.76185910 0.46791360 0.59315921 1
C C3 1 0.20022358 0.48482591 0.48637287 1
C C4 1 0.36429028 0.58374708 -0.08222474 1
C C5 1 0.90160558 0.42061864 0.83006988 1
C C6 1 0.05636032 0.53016992 0.24953768 1
C C7 1 0.59575947 0.36502250 0.16292187 1
| -154.289544 |
6,713 | C-148244-5888-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48791000
_cell_length_b 5.31178000
_cell_length_c 4.76119000
_cell_angle_alpha 63.11165000
_cell_angle_beta 58.48438000
_cell_angle_gamma 62.08087000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.56257594
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.41928103 0.79029823 0.26024920 1
C C1 1 -0.15598523 0.63108351 -0.00493063 1
C C2 1 0.34459916 0.09796587 0.02710105 1
C C3 1 0.43021979 0.74567643 0.79414398 1
C C4 1 -0.08155568 0.32298872 0.22844350 1
C C5 1 0.07416673 0.09301016 0.80221394 1
C C6 1 0.83244950 0.67608623 0.46130341 1
C C7 1 1.18848620 0.32789887 0.45352215 1
| -154.36124 |
7,768 | C-170922-1203-61 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47369000
_cell_length_b 4.80375000
_cell_length_c 4.80388000
_cell_angle_alpha 127.08158000
_cell_angle_beta 75.08547000
_cell_angle_gamma 104.91775000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.61770076
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.84468152 0.22087181 0.74124799 1
C C1 1 0.34468152 0.72087181 0.24124799 1
C C2 1 0.09400138 0.80438742 0.82477165 1
C C3 1 1.15620064 0.53392139 0.42855745 1
C C4 1 0.65620064 1.03392139 0.92855745 1
C C5 1 0.90681236 0.61711248 1.01173286 1
C C6 1 0.59400138 0.30438742 0.32477165 1
C C7 1 0.40681236 0.11711248 0.51173286 1
| -154.521174 |
3,679 | C-184040-7075-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43327000
_cell_length_b 6.51822000
_cell_length_c 6.78657000
_cell_angle_alpha 106.22255000
_cell_angle_beta 95.73861000
_cell_angle_gamma 83.97849000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 102.50099600
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.62237696 0.74285958 0.56739743 1
C C1 1 0.63897865 0.34519479 0.65362064 1
C C2 1 0.37361104 0.34748655 0.09918537 1
C C3 1 0.11522437 0.29213439 0.55184553 1
C C4 1 0.05424160 0.95038366 0.38228089 1
C C5 1 0.09235262 0.86302645 -0.01417514 1
C C6 1 0.50125938 0.17500507 0.20844793 1
C C7 1 0.04064705 0.16152359 0.33490365 1
C C8 1 1.14590764 0.70006865 0.64911571 1
C C9 1 0.56900422 0.96523744 0.04425132 1
C C10 1 0.16439550 0.64400047 0.84747821 1
C C11 1 -0.29456745 0.51153699 -0.14174843 1
C C12 1 0.57863121 0.86896335 0.42927675 1
C C13 1 0.83214121 0.40992031 0.03235344 1
| -154.173599 |
8,856 | C-157674-4910-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87760000
_cell_length_b 4.00123000
_cell_length_c 4.79893000
_cell_angle_alpha 98.31953000
_cell_angle_beta 98.63200000
_cell_angle_gamma 89.05095000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.83715174
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.25619929 0.07410250 0.81514219 1
C C1 1 0.63326966 0.69444044 0.66181387 1
C C2 1 1.00418419 0.32880470 0.31532599 1
C C3 1 0.63147567 0.69264295 0.96846058 1
C C4 1 0.39105636 0.93560045 0.06064713 1
C C5 1 0.39062940 0.93562335 0.56894072 1
C C6 1 0.87779186 0.45497298 0.06127446 1
C C7 1 0.87716175 0.45540745 0.56957142 1
C C8 1 0.01681108 0.32052937 -0.18412975 1
C C9 1 0.26784184 0.06503900 0.31557609 1
| -154.204326 |
8,386 | C-170360-9481-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38654000
_cell_length_b 2.46610000
_cell_length_c 5.26071000
_cell_angle_alpha 89.93216000
_cell_angle_beta 91.54008000
_cell_angle_gamma 68.72164000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.92232762
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.65040353 0.27335370 0.39890815 1
C C1 1 0.46816982 0.86410792 0.27414577 1
C C2 1 1.10008705 1.04686810 0.47258550 1
C C3 1 0.28352539 0.45500250 0.59837827 1
C C4 1 0.35838393 0.41584494 0.87302781 1
C C5 1 0.39911437 0.89516404 0.99876242 1
| -154.164398 |
6,164 | C-141053-1510-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48071000
_cell_length_b 3.68695000
_cell_length_c 4.21991000
_cell_angle_alpha 74.99148000
_cell_angle_beta 90.05148000
_cell_angle_gamma 70.35768000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.94593830
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.36405225 0.63987767 0.12870512 1
C C1 1 0.88490090 0.59904148 0.35060351 1
C C2 1 0.68857648 0.99615816 0.42671269 1
C C3 1 0.56068666 0.24338986 0.05231716 1
C C4 1 0.13932715 0.08610887 0.92205362 1
C C5 1 0.11039966 0.15265227 0.55729950 1
| -154.308265 |
2,641 | C-102901-5226-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47609000
_cell_length_b 4.18428000
_cell_length_c 4.79073000
_cell_angle_alpha 64.16688000
_cell_angle_beta 90.01217000
_cell_angle_gamma 89.97563000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.67490461
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.08749915 0.23207208 0.87591290 1
C C1 1 0.58657966 0.47548838 0.38734908 1
C C2 1 1.08890930 0.60234025 0.87575957 1
C C3 1 0.58708484 0.84555694 0.38791014 1
C C4 1 0.58759043 1.02510861 1.03063093 1
C C5 1 1.08661619 0.26853747 0.54210051 1
C C6 1 0.58836273 0.65510519 0.03010649 1
C C7 1 0.08760299 0.89841319 0.54246218 1
| -154.402111 |
1,385 | C-113043-1590-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45677000
_cell_length_b 3.66143000
_cell_length_c 8.25163000
_cell_angle_alpha 131.11998000
_cell_angle_beta 72.67208000
_cell_angle_gamma 109.51613000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.38415148
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.01132483 0.45273817 0.86211171 1
C C1 1 0.37495389 0.84549894 0.19454218 1
C C2 1 0.63534271 0.52850346 0.77498954 1
C C3 1 0.27839217 0.12665696 0.43148231 1
C C4 1 0.22396652 0.27257532 0.05776959 1
C C5 1 0.78515988 0.10158237 0.91192852 1
C C6 1 0.99968801 0.92133665 1.10741577 1
C C7 1 0.73104830 0.24754293 0.53807058 1
| -154.284779 |
9,719 | C-189696-7506-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45125000
_cell_length_b 6.18894000
_cell_length_c 7.96870000
_cell_angle_alpha 113.69929000
_cell_angle_beta 98.87012000
_cell_angle_gamma 78.61005000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 108.13764599
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.77674583 0.69425895 0.68428646 1
C C1 1 0.45037127 0.37234604 0.71451125 1
C C2 1 0.10678062 -0.17342531 0.48055087 1
C C3 1 0.22348919 1.11638741 1.01422063 1
C C4 1 0.56635822 0.18867440 0.76886968 1
C C5 1 0.88698457 0.48089751 0.69687984 1
C C6 1 0.20681669 0.81538714 0.66733541 1
C C7 1 0.48712641 0.77143725 0.19427839 1
C C8 1 0.59150030 0.50078931 0.12887363 1
C C9 1 0.56454929 0.82445661 0.39722419 1
C C10 1 0.13731546 0.08311308 0.80468561 1
C C11 1 0.79589582 1.01691661 1.05947329 1
C C12 1 0.91503269 0.86117333 0.14025693 1
C C13 1 1.13646566 0.38445037 0.10495923 1
| -154.193752 |
7,055 | C-142773-2815-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44400000
_cell_length_b 3.79370000
_cell_length_c 4.50395000
_cell_angle_alpha 92.08734000
_cell_angle_beta 102.24276000
_cell_angle_gamma 105.41023000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 71.19059000
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.12414131 0.99871029 0.17426081 1
C C1 1 0.62098190 -0.13319447 0.81957762 1
C C2 1 0.48161873 0.44632551 0.82923507 1
C C3 1 0.11188388 0.66941475 0.36289411 1
C C4 1 0.11720536 0.34260465 0.81909541 1
C C5 1 0.48702958 0.12069850 0.28560155 1
C C6 1 0.00740639 0.34149808 0.13446152 1
C C7 1 0.59240003 0.44794113 0.51523767 1
C C8 1 -0.02199442 -0.07674062 0.82896309 1
C C9 1 0.47520610 0.79091529 0.47530857 1
C C10 1 0.64305109 0.20100778 1.02662864 1
C C11 1 0.95622145 0.58857341 0.62204485 1
| -154.114058 |
2,786 | C-102860-4456-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39800000
_cell_length_b 3.25967000
_cell_length_c 4.68100000
_cell_angle_alpha 69.26295000
_cell_angle_beta 89.98375000
_cell_angle_gamma 89.96515000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.48943856
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.88592400 0.82393299 0.19553848 1
C C1 1 0.88620417 0.47220249 0.54070861 1
C C2 1 0.17414405 0.63059062 0.02855994 1
C C3 1 0.21399176 0.16499273 0.20760428 1
C C4 1 0.50228488 -0.02786560 0.04063855 1
C C5 1 0.17445021 0.66493114 0.70766070 1
C C6 1 0.21439100 0.13053039 0.52851248 1
C C7 1 0.50249473 0.32372835 0.69549498 1
| -154.133953 |
8,745 | C-13929-1342-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48831000
_cell_length_b 4.30569000
_cell_length_c 3.51681000
_cell_angle_alpha 65.90984000
_cell_angle_beta 89.98537000
_cell_angle_gamma 73.20389000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.62969819
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.69280171 0.91967465 0.18933430 1
C C1 1 0.35946838 0.58634131 0.85600097 1
C C2 1 0.85944869 0.58637539 0.60574447 1
C C3 1 0.02613505 0.25300798 0.52266763 1
C C4 1 0.19278202 -0.08029128 0.93907780 1
C C5 1 0.52611535 0.25304205 0.27241113 1
| -154.550625 |
4,547 | C-137449-8558-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45335000
_cell_length_b 7.60557000
_cell_length_c 8.13631000
_cell_angle_alpha 70.95759000
_cell_angle_beta 100.81756000
_cell_angle_gamma 98.00266000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 140.46036630
_cell_formula_units_Z 24
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.82598593 0.93703564 0.29797475 1
C C1 1 0.74503507 0.48275927 0.44096783 1
C C2 1 0.56693573 0.18912403 0.65327394 1
C C3 1 0.48107673 0.67708975 0.90533933 1
C C4 1 0.58172671 0.28388143 0.46081856 1
C C5 1 0.64949081 0.58724747 0.24193690 1
C C6 1 0.77210749 0.36921567 -0.09042154 1
C C7 1 0.56765230 0.35967804 0.72087595 1
C C8 1 0.46324054 0.24223082 0.28921349 1
C C9 1 1.05375625 0.06206576 0.71031719 1
C C10 1 0.48810579 0.43281675 0.16083603 1
C C11 1 0.37549217 0.46640818 0.96713515 1
C C12 1 0.89306303 0.14909054 0.24159466 1
C C13 1 0.78030195 0.17238726 0.04034816 1
C C14 1 0.37285581 0.70900397 0.55343018 1
C C15 1 0.34492122 0.51395289 0.54872896 1
C C16 1 0.44944760 0.77630125 0.71468033 1
C C17 1 0.11471163 0.96255682 0.90015542 1
C C18 1 0.06002691 0.75485523 0.97363532 1
C C19 1 0.15890293 0.70839153 0.17431542 1
C C20 1 0.96009545 0.89390885 0.64910259 1
C C21 1 0.87752867 0.82652843 0.48458441 1
C C22 1 0.22221232 0.05714529 0.03133555 1
C C23 1 0.25505448 0.89738644 0.20688651 1
| -154.093169 |
2,353 | C-170871-2485-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05319000
_cell_length_b 3.62120000
_cell_length_c 8.94521000
_cell_angle_alpha 90.13152000
_cell_angle_beta 110.40004000
_cell_angle_gamma 101.12972000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 90.69320071
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.82784595 0.46697328 0.69950936 1
C C1 1 -0.16721739 0.96812960 0.85402080 1
C C2 1 0.82882058 0.77556577 0.60379021 1
C C3 1 0.83194231 0.46812924 0.35350464 1
C C4 1 0.82404891 0.27453201 0.10271515 1
C C5 1 -0.17054920 0.27756039 0.94934189 1
C C6 1 0.82668222 0.08545376 0.69953021 1
C C7 1 -0.16837657 0.58679528 0.85414126 1
C C8 1 0.83271854 0.77823268 0.44996709 1
C C9 1 -0.16900470 1.08656807 0.35365163 1
C C10 1 0.82390161 0.58497060 0.19859318 1
C C11 1 -0.17510516 -0.03370847 0.19855938 1
| -154.151823 |
6,798 | C-9643-4757-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36728000
_cell_length_b 3.37679000
_cell_length_c 6.36367000
_cell_angle_alpha 117.03973000
_cell_angle_beta 82.88469000
_cell_angle_gamma 112.38111000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 59.48787311
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.12527564 0.47301790 0.14410941 1
C C1 1 0.18809287 0.93605869 0.29363512 1
C C2 1 0.19928218 0.39107278 0.75629051 1
C C3 1 0.69917581 0.66732232 0.52444136 1
C C4 1 0.06221163 0.03214283 0.52482485 1
C C5 1 0.57364216 0.76351110 0.75609197 1
C C6 1 0.56231454 0.30858535 0.29342782 1
C C7 1 0.88687543 0.22660062 0.90528266 1
| -154.107185 |
4,695 | C-130544-211-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48064000
_cell_length_b 4.20335000
_cell_length_c 3.68410000
_cell_angle_alpha 104.38745000
_cell_angle_beta 109.62578000
_cell_angle_gamma 90.05059000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.89765139
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.05099117 0.42910740 0.19782490 1
C C1 1 1.08922166 0.79458638 0.27076102 1
C C2 1 0.30829594 1.00123962 0.71553749 1
C C3 1 0.51134227 0.92621337 0.11456418 1
C C4 1 0.62959065 0.29835325 0.35523881 1
C C5 1 0.82825880 0.22391569 0.75361069 1
| -154.295315 |
6,584 | C-92148-9593-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59307000
_cell_length_b 2.49144000
_cell_length_c 4.35536000
_cell_angle_alpha 73.38837000
_cell_angle_beta 84.30527000
_cell_angle_gamma 69.67009000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.03427031
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.02333404 0.30982300 0.14335384 1
C C1 1 0.39327862 1.02337621 0.34908127 1
C C2 1 0.65235728 0.20528311 0.72505008 1
C C3 1 0.65234720 0.39266173 0.34922986 1
C C4 1 0.02324853 0.91645443 -0.06896078 1
C C5 1 0.39342933 0.83484203 0.72501933 1
| -154.198388 |
7,144 | C-113034-7981-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48398000
_cell_length_b 3.82492000
_cell_length_c 5.98097000
_cell_angle_alpha 59.70159000
_cell_angle_beta 77.96025000
_cell_angle_gamma 71.02357000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.32798657
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.31193424 0.05797313 0.67833454 1
C C1 1 0.34940945 0.70566465 0.95704722 1
C C2 1 -0.19927280 0.63578844 0.12206909 1
C C3 1 -0.07593287 0.94156020 0.57199163 1
C C4 1 1.09973545 0.42953675 0.73448155 1
C C5 1 -0.02527004 1.12356704 0.28499968 1
C C6 1 0.55108179 0.35986728 0.89942490 1
C C7 1 0.58676617 0.00735021 0.17859788 1
| -154.221521 |
1,654 | C-157676-6832-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47482000
_cell_length_b 3.72081000
_cell_length_c 4.24326000
_cell_angle_alpha 64.13669000
_cell_angle_beta 90.00872000
_cell_angle_gamma 90.02703000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.15966263
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.98380791 -0.02794757 0.45707563 1
C C1 1 -0.01603496 0.40696050 0.17928298 1
C C2 1 0.98417756 0.56373220 0.45747625 1
C C3 1 0.48404338 0.51831817 -0.04194818 1
C C4 1 0.48402930 0.36081562 0.68015518 1
C C5 1 0.48380303 0.95273049 0.68016423 1
| -154.284769 |
7,434 | C-176639-8613-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42485000
_cell_length_b 4.21800000
_cell_length_c 4.21844000
_cell_angle_alpha 90.41676000
_cell_angle_beta 90.02013000
_cell_angle_gamma 89.91463000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.14508550
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.05680787 0.27573287 0.45699302 1
C C1 1 0.05732441 0.86666905 1.04964994 1
C C2 1 1.05685853 0.92785262 0.39737635 1
C C3 1 0.55722831 -0.15922223 0.89335615 1
C C4 1 0.55662062 0.43209092 0.48373339 1
C C5 1 0.55718556 0.77985197 0.54523325 1
| -154.309951 |
738 | C-184042-1275-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31730000
_cell_length_b 3.32730000
_cell_length_c 5.95215000
_cell_angle_alpha 98.63565000
_cell_angle_beta 81.40046000
_cell_angle_gamma 101.07791000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 63.24770586
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.29408772 0.38159923 0.91488323 1
C C1 1 0.16950453 0.77949957 1.05147520 1
C C2 1 0.52007269 0.46881039 0.68892711 1
C C3 1 0.53288357 0.14280055 0.05151275 1
C C4 1 0.84365362 0.79240795 0.68891193 1
C C5 1 1.07449583 0.90847981 0.48324880 1
C C6 1 0.62978213 0.35828161 0.27754929 1
C C7 1 -0.04598176 0.68257066 0.27753114 1
C C8 1 0.40395133 0.23777941 0.48325290 1
C C9 1 -0.06901784 0.01857353 0.91480296 1
| -154.263555 |
6,044 | C-157697-2818-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50125000
_cell_length_b 4.27325000
_cell_length_c 8.20186000
_cell_angle_alpha 69.92040000
_cell_angle_beta 98.74802000
_cell_angle_gamma 89.48980000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 81.20227669
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.45231048 0.10686492 -0.03875758 1
C C1 1 0.35025965 0.26748951 0.31437391 1
C C2 1 0.82048247 0.44860290 0.69424339 1
C C3 1 0.39223548 0.18321984 0.50844641 1
C C4 1 0.55815728 0.38877912 1.03073309 1
C C5 1 0.89236999 0.74328294 0.75605479 1
C C6 1 0.00688710 0.60438913 0.96528526 1
C C7 1 0.61819932 0.46873553 0.50932101 1
C C8 1 -0.02769922 0.89689195 1.03097669 1
C C9 1 0.36311422 0.95580470 0.69189005 1
C C10 1 0.48613789 0.63572128 0.31373352 1
C C11 1 0.94508205 0.82696846 0.22960283 1
C C12 1 0.80634675 0.18769885 0.22989249 1
C C13 1 0.36140705 0.23633897 0.76690953 1
| -154.116399 |
6,799 | C-184054-4402-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48735000
_cell_length_b 3.51731000
_cell_length_c 4.30414000
_cell_angle_alpha 114.11184000
_cell_angle_beta 73.22286000
_cell_angle_gamma 89.99624000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.60620614
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.06435939 0.09768137 0.60156731 1
C C1 1 0.23093948 0.18151863 0.26850442 1
C C2 1 0.73102605 0.43101470 0.26823398 1
C C3 1 0.89760615 0.51485197 0.93517109 1
C C4 1 0.56427281 0.84818530 0.60183775 1
C C5 1 0.39769272 0.76434803 0.93490065 1
| -154.546126 |
2,215 | C-9634-3764-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48397000
_cell_length_b 5.22318000
_cell_length_c 3.82306000
_cell_angle_alpha 81.33561000
_cell_angle_beta 70.98235000
_cell_angle_gamma 89.88815000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.29974406
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.95397159 0.14510747 0.98694126 1
C C1 1 0.37962858 0.76014003 0.13459872 1
C C2 1 -0.00931166 0.86539428 0.91248003 1
C C3 1 0.49947622 0.30981873 0.89375444 1
C C4 1 0.71262815 0.36862983 0.46637051 1
C C5 1 0.32364460 0.47344024 0.24370118 1
C C6 1 0.20663003 0.92424466 0.48392703 1
C C7 1 0.75283538 0.08923285 0.39013033 1
| -154.219033 |
7,955 | C-126175-5026-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68810000
_cell_length_b 2.48102000
_cell_length_c 4.21566000
_cell_angle_alpha 90.01479000
_cell_angle_beta 75.19720000
_cell_angle_gamma 70.36160000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.96732182
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.25656560 0.26172180 0.45793582 1
C C1 1 -0.14081490 0.45934047 0.38236425 1
C C2 1 0.21753473 0.78180592 0.68035747 1
C C3 1 0.77198131 1.00324783 0.88663513 1
C C4 1 0.70189884 1.03796802 0.25166618 1
C C5 1 0.61582762 0.58103765 0.75563816 1
| -154.307154 |
679 | C-106835-1204-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99839000
_cell_length_b 3.38996000
_cell_length_c 5.47688000
_cell_angle_alpha 78.60038000
_cell_angle_beta 78.38118000
_cell_angle_gamma 71.56703000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.26322917
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.09893492 0.58106469 0.85389162 1
C C1 1 0.95679978 0.79894054 0.30448998 1
C C2 1 0.11224820 0.98175284 0.66913557 1
C C3 1 0.72889896 0.23490753 0.21802192 1
C C4 1 0.19474745 0.60580115 0.09366865 1
C C5 1 0.26985808 0.86608860 0.41950942 1
C C6 1 0.67252024 0.54636737 0.42258236 1
C C7 1 0.39507103 0.15716801 0.19958256 1
C C8 1 0.44623657 0.86956105 0.00073184 1
C C9 1 0.72018670 0.29329740 0.68481252 1
C C10 1 0.35782236 0.17379993 0.77394249 1
C C11 1 0.75779741 0.50213091 0.93159728 1
| -154.075238 |
8,890 | C-90811-1769-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49639000
_cell_length_b 4.65582000
_cell_length_c 9.39474000
_cell_angle_alpha 101.44364000
_cell_angle_beta 108.22994000
_cell_angle_gamma 61.07292000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 90.62684460
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.21115795 0.54039412 0.51916262 1
C C1 1 1.11959608 0.18128815 0.88357479 1
C C2 1 0.14144057 0.84500287 0.13445872 1
C C3 1 0.39080500 0.82194887 0.90069124 1
C C4 1 0.25986330 0.64048696 0.78016206 1
C C5 1 0.92570233 0.31051257 0.52072998 1
C C6 1 0.86796962 0.21379836 0.12370378 1
C C7 1 0.22693809 0.81085024 0.30853954 1
C C8 1 0.70238614 -0.29612976 0.05351681 1
C C9 1 0.04441736 0.82308498 0.63906981 1
C C10 1 0.11593952 0.30340434 0.28722408 1
C C11 1 0.43455107 0.27748053 0.79309306 1
C C12 1 0.35242153 1.05862527 0.64254025 1
C C13 1 1.14026024 0.33377540 1.04361985 1
C C14 1 0.93452213 0.63854959 0.35530955 1
C C15 1 -0.13990434 0.15923370 0.35786737 1
| -154.148827 |
6,963 | C-107721-8342-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43078000
_cell_length_b 7.27940000
_cell_length_c 6.90203000
_cell_angle_alpha 120.73811000
_cell_angle_beta 89.13842000
_cell_angle_gamma 119.96016000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 86.08251199
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.09771000 0.98119748 -0.01225645 1
C C1 1 0.25661598 0.76720475 0.48779933 1
C C2 1 0.25655478 0.43381580 0.48765160 1
C C3 1 0.76510811 0.75907582 -0.01226573 1
C C4 1 -0.07596984 0.54500841 0.48762952 1
C C5 1 1.25641672 0.10038679 0.48747437 1
C C6 1 0.76511392 0.42572701 -0.01237226 1
C C7 1 -0.07619184 0.21154291 0.48731998 1
C C8 1 0.76508743 1.09235075 0.98754574 1
C C9 1 1.09778088 0.64793060 -0.01212968 1
C C10 1 1.09764871 0.31453582 0.98768620 1
C C11 1 0.92396635 0.87832926 0.48754950 1
| -154.461571 |
1,863 | C-9618-6957-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60927000
_cell_length_b 4.65368000
_cell_length_c 5.65587000
_cell_angle_alpha 126.98012000
_cell_angle_beta 98.19439000
_cell_angle_gamma 97.75870000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 92.11139440
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.30311336 0.98544300 0.63600827 1
C C1 1 0.28642563 0.56372630 0.43356314 1
C C2 1 0.04942152 0.68972553 0.84004122 1
C C3 1 0.13774055 0.01743148 0.40202224 1
C C4 1 0.73982988 0.26736103 0.29441672 1
C C5 1 0.80566134 0.39738677 0.11554126 1
C C6 1 0.78576334 0.91229642 0.61638357 1
C C7 1 0.06766881 0.37974686 0.50384164 1
C C8 1 0.69731907 0.57583243 0.81402038 1
C C9 1 0.25292814 0.74794623 0.10648652 1
C C10 1 0.09889533 0.02033258 0.82809537 1
C C11 1 0.60283000 0.85333125 0.12597184 1
C C12 1 0.14062037 0.41280821 0.10813556 1
C C13 1 0.59795897 0.55256451 0.53197130 1
C C14 1 0.81442783 0.79675061 0.31541822 1
C C15 1 0.63351666 0.21622739 0.78823286 1
| -154.300639 |
8,258 | C-130528-4330-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44270000
_cell_length_b 4.75708000
_cell_length_c 5.76629000
_cell_angle_alpha 98.18246000
_cell_angle_beta 102.43138000
_cell_angle_gamma 89.89934000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 64.73896815
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.46678500 0.92785640 0.52117178 1
C C1 1 0.67499539 0.76559051 0.92282288 1
C C2 1 0.88507805 0.50170595 0.35225831 1
C C3 1 0.20226785 0.90179108 0.97797364 1
C C4 1 0.22079029 0.22100279 0.02233714 1
C C5 1 0.99440538 0.06421382 0.57636362 1
C C6 1 0.44796014 0.60842691 0.47684610 1
C C7 1 1.08917376 0.32517693 0.75833899 1
C C8 1 0.78361846 0.32692834 0.14706440 1
C C9 1 0.58057619 0.50424896 0.74105284 1
| -154.170945 |
2,274 | C-184084-4554-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48270000
_cell_length_b 3.84460000
_cell_length_c 3.74756000
_cell_angle_alpha 90.02109000
_cell_angle_beta 90.01400000
_cell_angle_gamma 89.97184000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.77040899
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.09408566 0.62060774 0.29011997 1
C C1 1 0.59415472 0.32539951 0.78623776 1
C C2 1 0.59366311 0.91525728 0.78647961 1
C C3 1 1.09426187 0.32555776 0.02252812 1
C C4 1 0.09379989 -0.08451232 0.02270255 1
C C5 1 0.59408865 0.62048593 0.51901128 1
| -154.162377 |
5,659 | C-96696-5300-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45006000
_cell_length_b 5.03170000
_cell_length_c 5.92597000
_cell_angle_alpha 101.58041000
_cell_angle_beta 102.36861000
_cell_angle_gamma 89.74253000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 69.85031617
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.77399992 0.46468904 0.85347285 1
C C1 1 0.67862158 0.88411194 0.66161918 1
C C2 1 0.20661388 1.01694089 0.71687715 1
C C3 1 0.87469309 0.68199103 0.06006230 1
C C4 1 0.40504982 0.81533089 0.12327682 1
C C5 1 -0.00044218 0.22368487 0.31742185 1
C C6 1 0.10745312 0.43597767 0.52704254 1
C C7 1 0.23182066 0.30820770 0.77035624 1
C C8 1 0.46641075 0.09225911 0.25148759 1
C C9 1 0.64928767 0.59190156 0.61109528 1
| -154.135832 |
5,680 | C-90831-4076-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32314000
_cell_length_b 3.32362000
_cell_length_c 5.48459000
_cell_angle_alpha 94.38010000
_cell_angle_beta 127.72368000
_cell_angle_gamma 83.42685000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.59772802
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.52302206 0.27238411 0.43934439 1
C C1 1 0.60960480 0.16874276 -0.07766644 1
C C2 1 0.36261328 0.79469426 0.75524313 1
C C3 1 0.87820386 0.91637479 0.43926092 1
C C4 1 0.98220022 0.19139218 0.27214992 1
C C5 1 0.71750166 0.44114924 0.75551722 1
C C6 1 0.63026883 0.54269150 0.27245662 1
C C7 1 0.25819380 0.52184935 0.92241093 1
| -154.191023 |
6,160 | C-137401-8411-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49292000
_cell_length_b 7.47501000
_cell_length_c 8.11248000
_cell_angle_alpha 102.25281000
_cell_angle_beta 101.63631000
_cell_angle_gamma 89.07011000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 144.63724754
_cell_formula_units_Z 24
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.68830581 0.14432112 0.48661774 1
C C1 1 0.86197444 0.23606701 0.96273960 1
C C2 1 0.80512478 0.47396409 0.77427210 1
C C3 1 0.83205862 0.29026707 0.80896253 1
C C4 1 0.78127854 0.13643574 0.67030056 1
C C5 1 0.38225801 0.95466600 1.01277512 1
C C6 1 0.43708370 0.66776080 0.16845383 1
C C7 1 -0.40125593 -0.02013409 0.34119834 1
C C8 1 0.15877756 0.43852192 0.48180581 1
C C9 1 0.95024963 0.34877624 0.14186626 1
C C10 1 0.56941212 0.79596126 0.32623754 1
C C11 1 0.82584824 0.79041175 0.65225134 1
C C12 1 0.49973350 0.06915300 1.19325876 1
C C13 1 1.02094736 0.19022467 0.23566454 1
C C14 1 0.47783065 0.47170112 0.20298834 1
C C15 1 0.79386943 0.98236374 0.73473033 1
C C16 1 0.68499714 0.71445996 0.46498427 1
C C17 1 0.39547830 0.70722081 0.71847125 1
C C18 1 0.83921540 1.02408121 0.92717916 1
C C19 1 0.26415274 0.50827183 0.67107802 1
C C20 1 0.61531856 0.51364827 0.40713564 1
C C21 1 0.73871930 0.66438856 0.89606062 1
C C22 1 0.31762043 0.73417254 0.00195964 1
C C23 1 0.14483385 0.23854227 0.43232105 1
| -154.07584 |
5,383 | C-176654-3153-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51630000
_cell_length_b 2.48853000
_cell_length_c 4.30621000
_cell_angle_alpha 106.78741000
_cell_angle_beta 65.92290000
_cell_angle_gamma 90.00763000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.63668652
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.00795066 0.96756449 1.07290712 1
C C1 1 0.75763115 0.46752276 1.07299628 1
C C2 1 0.42430065 0.80080890 0.73967146 1
C C3 1 1.09095395 0.13408926 0.40634520 1
C C4 1 0.34127346 0.63413099 0.40625604 1
C C5 1 0.67460396 0.30084485 0.73958086 1
| -154.55221 |
6,949 | C-28230-7089-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48187000
_cell_length_b 3.68853000
_cell_length_c 4.22075000
_cell_angle_alpha 75.07922000
_cell_angle_beta 90.01170000
_cell_angle_gamma 70.34615000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00040328
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.53235297 0.52616869 0.15746543 1
C C1 1 0.78750211 1.01232087 0.72900927 1
C C2 1 0.33230459 0.92329515 0.23351993 1
C C3 1 0.75398890 0.08059897 0.36396951 1
C C4 1 1.20930594 0.16891538 -0.14029186 1
C C5 1 0.01214898 0.56644654 0.93561212 1
| -154.313139 |
4,357 | C-47652-4449-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45392000
_cell_length_b 5.78224000
_cell_length_c 7.47067000
_cell_angle_alpha 126.93085000
_cell_angle_beta 90.06435000
_cell_angle_gamma 102.31175000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 81.64407947
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.00301894 0.37023637 0.57482758 1
C C1 1 0.49836289 0.36167806 0.65935124 1
C C2 1 -0.14584290 0.06602021 0.14898537 1
C C3 1 0.86950170 0.10597771 0.96814156 1
C C4 1 0.20657294 0.76999612 0.25690066 1
C C5 1 1.27804467 0.91364978 0.14071690 1
C C6 1 0.11259466 0.58396710 0.99933220 1
C C7 1 0.59724741 0.55028484 0.39779454 1
C C8 1 0.39777491 0.16434303 -0.08826171 1
C C9 1 0.68558280 0.72682141 0.33597488 1
C C10 1 1.02215380 0.40137504 0.39102985 1
C C11 1 0.52223777 0.40504744 0.87814535 1
| -154.16425 |
1,040 | C-73639-7493-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43177000
_cell_length_b 3.19394000
_cell_length_c 8.10945000
_cell_angle_alpha 84.07091000
_cell_angle_beta 82.04941000
_cell_angle_gamma 69.01145000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.14278907
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.04073827 0.58358985 0.36628621 1
C C1 1 0.54158415 -0.16862502 0.11603983 1
C C2 1 0.04072327 0.24894688 0.69995480 1
C C3 1 1.04113209 0.08243025 0.86616615 1
C C4 1 0.54030658 0.33461042 0.61640131 1
C C5 1 0.54187004 0.99614105 0.94963627 1
C C6 1 0.04172328 0.74641809 0.19965447 1
C C7 1 0.54054683 0.49924608 0.44997925 1
| -154.462744 |
4,809 | C-90821-8000-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48102000
_cell_length_b 4.14130000
_cell_length_c 6.99723000
_cell_angle_alpha 107.21258000
_cell_angle_beta 100.20534000
_cell_angle_gamma 90.00851000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.48190946
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.96536426 0.34134410 1.04628574 1
C C1 1 -0.14180672 0.35229356 0.82325907 1
C C2 1 0.28020748 0.77447698 0.66792207 1
C C3 1 0.50049041 1.20260693 1.11697032 1
C C4 1 0.16501702 0.53996178 0.44471569 1
C C5 1 0.35847308 0.57922150 0.82363239 1
C C6 1 0.46652738 0.82332471 0.04751585 1
C C7 1 0.66475358 0.02071459 0.44329494 1
C C8 1 0.77990600 0.00128942 0.66743472 1
C C9 1 1.01047315 0.71442201 0.13438803 1
C C10 1 0.12130976 -0.17540401 0.35633416 1
C C11 1 0.62942273 0.33070980 0.37463163 1
| -154.392653 |
5,867 | C-106899-908-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26525000
_cell_length_b 3.42605000
_cell_length_c 4.73968000
_cell_angle_alpha 65.34517000
_cell_angle_beta 89.99133000
_cell_angle_gamma 89.97292000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.18870582
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.24060803 0.95897831 0.37346845 1
C C1 1 0.61223538 0.81675499 0.56978988 1
C C2 1 0.39349003 0.15331348 1.03947705 1
C C3 1 0.96155185 0.15351413 0.53940145 1
C C4 1 0.11214279 -0.04076275 0.87351142 1
C C5 1 -0.10627549 0.62241576 0.40365013 1
C C6 1 0.74053482 0.81674682 0.06998201 1
C C7 1 0.46179129 0.62211946 -0.09626200 1
| -154.188794 |
4,578 | C-41290-3170-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39176000
_cell_length_b 3.39147000
_cell_length_c 5.27998000
_cell_angle_alpha 87.04342000
_cell_angle_beta 92.95485000
_cell_angle_gamma 137.42295000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.02977819
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.04562594 0.24435369 0.49717267 1
C C1 1 0.67314984 0.61644710 0.89853481 1
C C2 1 -0.10064757 0.39008606 0.97022447 1
C C3 1 0.49274579 0.79683652 0.09538680 1
C C4 1 0.07991179 0.20992911 0.77212725 1
C C5 1 0.52753121 0.76260202 0.37075210 1
| -154.161343 |
2,968 | C-148258-4740-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43066000
_cell_length_b 3.19981000
_cell_length_c 8.26013000
_cell_angle_alpha 72.04088000
_cell_angle_beta 98.48779000
_cell_angle_gamma 78.89585000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.47723205
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.20642093 0.56557085 0.97193184 1
C C1 1 0.45617336 0.06769176 0.72236098 1
C C2 1 0.87292646 0.23429323 0.63890182 1
C C3 1 0.12304275 0.73339848 0.38873279 1
C C4 1 0.37322451 0.23172686 0.13839537 1
C C5 1 0.70614725 0.56781021 0.47238324 1
C C6 1 0.62311824 0.73262038 0.88857048 1
C C7 1 0.95638929 0.06568131 0.22195279 1
| -154.453914 |
8,964 | C-136263-7925-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43269000
_cell_length_b 4.61514000
_cell_length_c 4.02789000
_cell_angle_alpha 84.22245000
_cell_angle_beta 89.75406000
_cell_angle_gamma 74.75149000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.39664682
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.60626315 0.92226855 0.46908255 1
C C1 1 0.27201663 0.59047987 0.13350953 1
C C2 1 0.16017855 0.81165670 0.35667648 1
C C3 1 0.82597525 0.47976907 1.02135633 1
C C4 1 0.49195563 1.14710739 0.68674127 1
C C5 1 0.93811690 0.25752802 0.79976214 1
| -154.465923 |
263 | C-130536-5861-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46444000
_cell_length_b 4.08174000
_cell_length_c 8.06046000
_cell_angle_alpha 86.56349000
_cell_angle_beta 89.79807000
_cell_angle_gamma 87.40478000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.85296886
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.29352439 0.59225474 0.25913734 1
C C1 1 0.59453135 0.00226657 0.43067735 1
C C2 1 0.79228829 0.53548603 0.69838198 1
C C3 1 0.75108483 0.82703140 0.25757029 1
C C4 1 0.10280824 0.86937256 0.51995782 1
C C5 1 0.27118433 0.49959349 0.94977687 1
C C6 1 0.27604021 0.85214796 0.88812172 1
C C7 1 0.94274808 0.49169196 0.51752854 1
C C8 1 0.45087086 0.37957996 0.42941635 1
C C9 1 0.77449331 0.02362088 0.93739161 1
C C10 1 0.77595824 1.11295335 0.12398022 1
C C11 1 0.27154776 0.34171733 0.12656734 1
C C12 1 0.77757551 0.36499266 0.86823997 1
C C13 1 0.25342691 0.76303632 0.70388809 1
| -154.077334 |
5,207 | C-172951-7901-61 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49417000
_cell_length_b 7.05107000
_cell_length_c 8.98213000
_cell_angle_alpha 67.89508000
_cell_angle_beta 87.75001000
_cell_angle_gamma 74.05669000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 140.35936160
_cell_formula_units_Z 24
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.49737168 0.52462987 0.63551575 1
C C1 1 0.80663316 0.12989841 0.62594801 1
C C2 1 1.30692882 0.90458457 0.05591965 1
C C3 1 1.22424630 0.22217603 0.81051246 1
C C4 1 1.10022019 0.90310658 0.46621855 1
C C5 1 0.25457413 0.26844429 0.37036653 1
C C6 1 0.05009922 0.46813981 0.56234615 1
C C7 1 0.24323506 0.32121731 0.19040129 1
C C8 1 0.23720506 0.74033055 0.62718230 1
C C9 1 1.08650472 1.00705763 0.16287954 1
C C10 1 0.21712965 0.85522959 0.32489875 1
C C11 1 1.22252468 0.23967325 0.64429635 1
C C12 1 -0.18377087 0.24657974 0.12374384 1
C C13 1 0.45902930 0.62985151 0.31428226 1
C C14 1 0.47011846 0.66912955 0.13565372 1
C C15 1 0.05195098 0.56887118 0.09487398 1
C C16 1 0.85418412 0.13265677 0.45458514 1
C C17 1 0.64688725 0.34318932 0.81379165 1
C C18 1 0.34730787 -0.01134022 0.88224688 1
C C19 1 0.08551353 0.55317933 0.93034927 1
C C20 1 0.67273811 0.41545761 0.94553965 1
C C21 1 1.05342575 0.50105518 0.38930659 1
C C22 1 -0.10698122 0.94254224 0.79440119 1
C C23 1 0.04012135 0.74284979 0.77631332 1
| -154.162224 |
1,244 | C-177264-2024-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44847000
_cell_length_b 4.81338000
_cell_length_c 6.46249000
_cell_angle_alpha 90.73315000
_cell_angle_beta 112.23966000
_cell_angle_gamma 104.69534000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.68575214
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.23103598 0.60243745 1.02894155 1
C C1 1 0.09180782 0.55473754 0.87530751 1
C C2 1 0.56350579 0.24403307 0.50496919 1
C C3 1 0.30250933 -0.05763997 0.39409945 1
C C4 1 1.07137217 0.40836059 0.43003729 1
C C5 1 0.29742314 1.07863712 0.82121346 1
C C6 1 0.80709873 0.37756042 0.18238928 1
C C7 1 0.54650517 1.07534814 0.07258497 1
C C8 1 0.02459964 0.76711669 0.70200167 1
C C9 1 0.81445749 0.24160424 0.75693197 1
C C10 1 0.34679126 0.71881728 0.54804236 1
C C11 1 0.03867514 0.91124504 0.14665471 1
| -154.317753 |
4,196 | C-106067-9179-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48677000
_cell_length_b 7.84768000
_cell_length_c 6.03683000
_cell_angle_alpha 80.81077000
_cell_angle_beta 78.11779000
_cell_angle_gamma 80.89807000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 112.84553505
_cell_formula_units_Z 20
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.03247401 0.10478414 0.46958227 1
C C1 1 -0.12893885 0.72144262 0.17333297 1
C C2 1 0.45278485 0.14869166 0.58454758 1
C C3 1 0.15373508 0.61447894 0.71310872 1
C C4 1 -0.30089689 0.08766328 0.15446813 1
C C5 1 -0.12048030 0.52843738 0.34576001 1
C C6 1 0.72197989 0.89195329 0.29653267 1
C C7 1 0.75821298 0.30251259 0.81790709 1
C C8 1 1.04806259 0.38278002 0.15989290 1
C C9 1 0.31129345 0.50413700 0.50522446 1
C C10 1 0.07195814 0.81118746 0.67531291 1
C C11 1 1.14058185 0.90913957 0.44141984 1
C C12 1 0.48324114 0.85938261 0.80423598 1
C C13 1 0.59425913 0.58161855 0.86870382 1
C C14 1 0.38682633 0.04415633 0.81434944 1
C C15 1 0.32229748 0.32660830 0.66334293 1
C C16 1 0.60972045 0.41237550 0.00865261 1
C C17 1 -0.19397809 0.10983120 0.91074029 1
C C18 1 0.44575901 0.72632811 1.01973845 1
C C19 1 1.11546385 0.17877565 0.23187310 1
| -154.337793 |
6,006 | C-47658-6013-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.57240000
_cell_length_b 4.24257000
_cell_length_c 4.85138000
_cell_angle_alpha 90.17872000
_cell_angle_beta 70.00508000
_cell_angle_gamma 75.71755000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.99372952
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.48755669 0.81983259 0.51455248 1
C C1 1 0.44061109 0.32342718 0.77183262 1
C C2 1 0.29913576 0.34404354 0.30182607 1
C C3 1 1.35960196 0.50069902 0.02616476 1
C C4 1 0.23966447 0.85825116 1.05525293 1
C C5 1 0.54785244 0.97725418 0.23893344 1
C C6 1 0.40668475 -0.00335018 0.76895326 1
C C7 1 0.60705283 0.46249301 0.48568632 1
| -154.160208 |
Subsets and Splits