Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
5,869 | C-96707-5370-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48789000
_cell_length_b 3.51713000
_cell_length_c 4.30521000
_cell_angle_alpha 114.10002000
_cell_angle_beta 106.78493000
_cell_angle_gamma 90.02262000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.61974206
_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 0.05709466 0.87032301 0.65635414 1
C C1 1 0.55708061 0.62079806 0.65659523 1
C C2 1 0.72376133 0.53698968 -0.01031253 1
C C3 1 0.22374727 0.28746472 0.98992856 1
C C4 1 0.39042799 0.20365634 0.32302080 1
C C5 1 0.89041394 -0.04586861 0.32326190 1
| -154.549384 |
5,300 | C-177250-68-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72283000
_cell_length_b 3.26520000
_cell_length_c 4.73696000
_cell_angle_alpha 90.02838000
_cell_angle_beta 107.54442000
_cell_angle_gamma 133.53024000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.15480245
_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 0.47451700 0.62121792 0.40172793 1
C C1 1 0.47446121 0.18922422 0.90156098 1
C C2 1 0.00600255 0.22030376 0.26668304 1
C C3 1 0.66929541 0.66404246 0.73571188 1
C C4 1 0.66946971 0.53586770 0.23552409 1
C C5 1 0.81144915 0.17759426 0.93270848 1
C C6 1 0.81097071 0.30560461 0.43281345 1
C C7 1 1.00630107 0.65229196 0.76677166 1
| -154.187545 |
40 | C-193924-4401-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31878000
_cell_length_b 3.51667000
_cell_length_c 3.51679000
_cell_angle_alpha 60.04324000
_cell_angle_beta 89.98281000
_cell_angle_gamma 89.99613000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.56118222
_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 0.08704987 0.42346386 0.88105488 1
C C1 1 -0.08085421 0.65511232 0.11298538 1
C C2 1 0.58696541 -0.04020869 0.80848712 1
C C3 1 0.41899762 0.72782607 0.57701697 1
C C4 1 0.75343211 0.42317962 0.57675612 1
C C5 1 0.25345920 0.95998202 0.11318194 1
| -154.411661 |
8,765 | C-136204-3885-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48248000
_cell_length_b 3.74483000
_cell_length_c 3.84690000
_cell_angle_alpha 89.94589000
_cell_angle_beta 89.96871000
_cell_angle_gamma 89.99659000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.76255209
_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 0.12528174 0.34465028 0.42059273 1
C C1 1 0.12528346 0.61116839 0.71556513 1
C C2 1 0.62528000 0.84864622 0.12513883 1
C C3 1 0.12529526 0.61152727 0.12535235 1
C C4 1 0.62528849 0.11529950 0.42030812 1
C C5 1 0.62526374 0.84828884 0.71533495 1
| -154.166573 |
6,993 | C-136214-3679-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59326000
_cell_length_b 2.49062000
_cell_length_c 4.35357000
_cell_angle_alpha 73.37476000
_cell_angle_beta 84.29970000
_cell_angle_gamma 69.68672000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01147827
_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 0.12098693 0.39072898 0.98730309 1
C C1 1 0.75021502 0.47363122 0.19306765 1
C C2 1 1.12106363 0.99732787 0.77499777 1
C C3 1 0.75022940 0.28606419 0.56898972 1
C C4 1 0.49055148 0.91577862 0.56910208 1
C C5 1 0.49027485 0.10466732 0.19306340 1
| -154.19629 |
649 | C-34602-3867-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30740000
_cell_length_b 4.27990000
_cell_length_c 5.41943000
_cell_angle_alpha 78.97086000
_cell_angle_beta 78.54182000
_cell_angle_gamma 73.84143000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 71.45690998
_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 0.29832389 0.20816916 0.18674347 1
C C1 1 0.38194025 0.69551340 -0.09701750 1
C C2 1 0.00947930 0.26913358 0.98738863 1
C C3 1 0.65132606 0.91244758 0.26997400 1
C C4 1 0.56956713 0.44885968 0.10396300 1
C C5 1 0.15152996 0.52143450 0.77325676 1
C C6 1 1.00621288 0.30723487 0.41712400 1
C C7 1 0.76165358 0.83027437 0.76921135 1
C C8 1 0.61223630 0.56679733 0.33886013 1
C C9 1 0.95912637 0.93715511 -0.01767754 1
C C10 1 0.32705843 0.38126337 0.54003184 1
C C11 1 0.71787325 0.06717273 0.52451026 1
| -154.11801 |
6,654 | C-107725-3127-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49574000
_cell_length_b 4.66424000
_cell_length_c 8.31695000
_cell_angle_alpha 96.13824000
_cell_angle_beta 77.31011000
_cell_angle_gamma 76.61996000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 90.60845141
_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 0.13692919 0.62469363 0.31015511 1
C C1 1 0.33411377 0.90321298 0.54304629 1
C C2 1 0.28444948 0.17031407 0.45323515 1
C C3 1 0.39338111 0.35060264 0.18811803 1
C C4 1 0.09967566 0.88242602 0.21024445 1
C C5 1 0.33137638 0.73252136 0.02168968 1
C C6 1 0.47487602 0.45355040 0.69808832 1
C C7 1 0.46404246 0.17647272 0.78230971 1
C C8 1 0.55589898 0.39844724 0.03430758 1
C C9 1 0.47889669 0.07160454 0.26000508 1
C C10 1 0.56169469 0.62599729 0.41735881 1
C C11 1 0.75188163 0.90414291 0.64982860 1
C C12 1 -0.14628016 0.15012194 0.89161894 1
C C13 1 0.65932425 0.35589212 0.50580802 1
C C14 1 0.88159856 0.64635225 0.74537478 1
C C15 1 0.85362448 0.81729918 0.92831893 1
| -154.260446 |
4,969 | C-53808-9103-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48991000
_cell_length_b 7.16969000
_cell_length_c 4.87414000
_cell_angle_alpha 87.05128000
_cell_angle_beta 90.01510000
_cell_angle_gamma 100.03456000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 85.56473719
_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 0.68138480 0.42220114 0.81054266 1
C C1 1 0.38997942 0.84397257 0.32711699 1
C C2 1 0.24402606 0.54914433 0.20740342 1
C C3 1 1.04331176 0.14998143 0.27977015 1
C C4 1 0.34461882 0.74716941 1.05010642 1
C C5 1 0.85902538 0.77502062 0.87242571 1
C C6 1 0.68941122 0.43869631 0.14506316 1
C C7 1 0.29296169 0.64750855 0.48494757 1
C C8 1 0.94582742 0.95371871 0.39813095 1
C C9 1 1.12771214 0.31615568 0.76312479 1
C C10 1 0.77990807 0.61947931 0.66143282 1
C C11 1 -0.04831417 -0.03880459 0.71335916 1
C C12 1 0.59088413 0.24378786 0.26041212 1
C C13 1 0.03520975 0.12957215 0.80915728 1
| -154.119912 |
8,090 | C-150703-3455-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36475000
_cell_length_b 4.56659000
_cell_length_c 8.42902000
_cell_angle_alpha 71.44469000
_cell_angle_beta 74.15988000
_cell_angle_gamma 68.31138000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 112.30244328
_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 0.10552684 0.75025583 0.67794978 1
C C1 1 1.09378740 0.82659802 0.09343481 1
C C2 1 0.39338388 0.89014989 0.91694320 1
C C3 1 0.68504954 0.89146983 0.45766683 1
C C4 1 0.13429660 0.69026756 0.39784934 1
C C5 1 0.38369610 0.77002571 0.22475659 1
C C6 1 0.76184823 0.31847154 0.56576302 1
C C7 1 1.04960560 0.45820349 0.80457446 1
C C8 1 0.67994345 0.98991579 0.61132594 1
C C9 1 0.88888893 0.25876982 0.73844644 1
C C10 1 0.74481076 0.55800582 -0.04233622 1
C C11 1 0.02193290 0.51854863 0.08422653 1
C C12 1 0.61772974 0.03249444 0.16499494 1
C C13 1 0.47574179 0.21839462 0.87131804 1
C C14 1 0.26602821 0.94963307 0.74425779 1
C C15 1 0.53742590 0.17618387 0.31767592 1
C C16 1 0.47114751 0.31712859 0.02476336 1
C C17 1 0.41127713 0.65063595 0.52469173 1
C C18 1 0.06159018 0.38216789 0.38915661 1
C C19 1 0.77154941 0.43883453 0.25747451 1
| -154.273129 |
9,581 | C-172957-5425-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45837000
_cell_length_b 6.69582000
_cell_length_c 6.85293000
_cell_angle_alpha 84.63038000
_cell_angle_beta 69.11249000
_cell_angle_gamma 79.40864000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 103.54758030
_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 0.28775089 0.04312420 0.44819856 1
C C1 1 0.09356187 0.53760490 0.39883739 1
C C2 1 0.92436350 0.73271549 0.47121303 1
C C3 1 0.35924299 0.83432092 0.48484230 1
C C4 1 0.78822884 0.12542769 0.90285632 1
C C5 1 0.69037817 0.45246409 0.34436069 1
C C6 1 0.46902219 0.80044889 -0.11699029 1
C C7 1 0.79967304 0.13054121 0.39124111 1
C C8 1 0.03496956 0.68595781 -0.12549968 1
C C9 1 0.36750229 0.00865108 0.88200656 1
C C10 1 0.90474261 0.27504103 0.21302016 1
C C11 1 0.53514428 0.25958822 1.08972469 1
C C12 1 0.16368740 0.48015982 0.84877720 1
C C13 1 0.69670727 0.36316855 0.87497226 1
| -154.147935 |
1,373 | C-41262-9862-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37593000
_cell_length_b 4.03731000
_cell_length_c 5.78185000
_cell_angle_alpha 52.00742000
_cell_angle_beta 54.24842000
_cell_angle_gamma 50.56920000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.43430914
_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 0.73509384 0.67726363 0.82818578 1
C C1 1 0.86824189 0.74394776 0.22760234 1
C C2 1 0.06846664 0.34375478 0.82774794 1
C C3 1 0.26829999 0.94370886 0.42715086 1
C C4 1 0.53489348 0.07724903 0.22746677 1
C C5 1 0.46835943 0.54395515 0.02794359 1
C C6 1 0.13497858 0.87730117 1.02815900 1
C C7 1 -0.06504671 0.27721708 0.42732167 1
C C8 1 0.33506322 0.47721727 0.62773213 1
C C9 1 0.66840425 0.14362056 0.62728912 1
| -154.408532 |
6,149 | C-73635-4417-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49455000
_cell_length_b 3.42221000
_cell_length_c 7.21466000
_cell_angle_alpha 69.62733000
_cell_angle_beta 99.98014000
_cell_angle_gamma 68.62262000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.48642528
_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 0.50275651 0.91001225 0.55520183 1
C C1 1 0.81003947 0.18901681 0.44970635 1
C C2 1 0.53298713 0.69056351 0.39484134 1
C C3 1 0.73634841 0.67595592 0.78911935 1
C C4 1 -0.15936532 -0.03047699 0.28920536 1
C C5 1 0.25629306 0.74316139 0.89494210 1
C C6 1 0.60754445 0.20299577 1.05529365 1
C C7 1 1.08831689 0.13520705 0.94987123 1
| -154.089958 |
3,913 | C-47650-9988-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48375000
_cell_length_b 3.82175000
_cell_length_c 5.22366000
_cell_angle_alpha 81.25713000
_cell_angle_beta 89.84590000
_cell_angle_gamma 108.92350000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.28775977
_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 0.30332009 0.86017498 0.14669414 1
C C1 1 0.42729283 0.10228147 0.59650611 1
C C2 1 0.08954420 0.43200239 0.20467369 1
C C3 1 0.05379299 0.35777653 0.92529650 1
C C4 1 0.60262206 0.45181082 0.76021983 1
C C5 1 0.47772818 0.20977544 0.30972765 1
C C6 1 0.81497824 0.87937451 0.70247921 1
C C7 1 0.85224182 -0.04564935 -0.01799643 1
| -154.218205 |
3,371 | C-34629-5612-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68412000
_cell_length_b 5.29131000
_cell_length_c 4.32893000
_cell_angle_alpha 58.09564000
_cell_angle_beta 86.06267000
_cell_angle_gamma 71.25370000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 85.56657920
_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 0.80948866 0.69908660 0.59562719 1
C C1 1 1.01548863 0.61563910 0.88664961 1
C C2 1 0.01605450 1.09100995 0.40976064 1
C C3 1 0.35265786 -0.14698494 -0.01610452 1
C C4 1 0.80840551 0.00797368 0.28854951 1
C C5 1 0.31859996 0.35493060 0.45206992 1
C C6 1 1.10591683 0.35421212 0.23966697 1
C C7 1 0.13995097 0.85231517 0.77140082 1
C C8 1 0.44218381 0.11644681 0.81379214 1
C C9 1 0.64904463 0.50781509 0.62841934 1
C C10 1 0.64967371 0.19939274 0.93534213 1
C C11 1 0.44321972 0.59144009 0.33703736 1
| -154.23892 |
8,963 | C-106885-2076-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51388000
_cell_length_b 5.54526000
_cell_length_c 6.65051000
_cell_angle_alpha 51.64727000
_cell_angle_beta 75.70598000
_cell_angle_gamma 90.47236000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.84382808
_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 0.28869385 0.60454227 0.83385847 1
C C1 1 0.64484111 0.60664122 0.16286787 1
C C2 1 1.03245283 0.59074561 0.49350448 1
C C3 1 0.34631186 0.15781786 0.24954273 1
C C4 1 1.41682738 0.47461419 0.67127235 1
C C5 1 0.30345319 0.09564556 0.84441047 1
C C6 1 0.67285591 0.48822413 0.01140954 1
C C7 1 -0.31386593 0.94827732 0.01875090 1
C C8 1 0.05968349 0.47244849 0.34201759 1
C C9 1 0.40195761 0.98291055 0.66135684 1
C C10 1 1.01936968 0.13095090 0.48730807 1
C C11 1 0.35942532 0.92139710 0.25660990 1
| -154.115259 |
706 | C-76022-4977-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.54830000
_cell_length_b 3.65205000
_cell_length_c 5.53666000
_cell_angle_alpha 85.45195000
_cell_angle_beta 76.89193000
_cell_angle_gamma 69.56632000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.02668514
_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 0.57767495 0.14450116 0.02606566 1
C C1 1 0.69384370 0.33442682 0.60636380 1
C C2 1 0.09845271 0.77562638 0.35753381 1
C C3 1 0.84769855 0.77553070 0.85444351 1
C C4 1 0.47734576 0.51509877 0.85461702 1
C C5 1 0.99911540 0.14458678 0.18556693 1
C C6 1 0.72831983 0.51512771 0.35751737 1
C C7 1 0.88202209 0.95719299 0.60628540 1
| -154.179018 |
4,127 | C-148256-2422-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45390000
_cell_length_b 6.17731000
_cell_length_c 4.84040000
_cell_angle_alpha 59.99086000
_cell_angle_beta 59.53115000
_cell_angle_gamma 53.31877000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.60875551
_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 0.74214130 0.27381573 -0.05664826 1
C C1 1 0.22074129 0.80770158 0.66290254 1
C C2 1 0.06841420 0.93302288 0.12674785 1
C C3 1 0.60631598 0.74869911 0.86632487 1
C C4 1 0.65580082 0.35127777 0.41593382 1
C C5 1 0.93416121 0.40803620 0.05021706 1
C C6 1 0.02327084 0.33071090 0.57767410 1
C C7 1 0.45393285 0.87413263 0.33000123 1
| -154.165461 |
4,253 | C-90827-1320-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74996000
_cell_length_b 3.47833000
_cell_length_c 6.21600000
_cell_angle_alpha 117.86423000
_cell_angle_beta 115.17071000
_cell_angle_gamma 99.18020000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.00309714
_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 0.62667403 0.28098155 -0.00985985 1
C C1 1 0.42674618 0.52265263 0.60941918 1
C C2 1 0.18948747 0.03827574 0.37154688 1
C C3 1 0.88954786 0.82057111 0.75787358 1
C C4 1 0.35532280 0.74159397 0.22518724 1
C C5 1 0.72688810 0.74032319 0.22333169 1
C C6 1 0.26105787 0.81926656 0.75621219 1
C C7 1 0.98931830 0.28033534 -0.00943590 1
| -154.075583 |
8,817 | C-41302-4393-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48176000
_cell_length_b 3.68889000
_cell_length_c 4.21960000
_cell_angle_alpha 104.99753000
_cell_angle_beta 89.97295000
_cell_angle_gamma 109.63881000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98452993
_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 0.12346954 0.58994311 0.87842951 1
C C1 1 0.44671236 0.23358600 0.17667414 1
C C2 1 0.66770158 0.67954196 0.38324803 1
C C3 1 1.24558668 0.83621245 0.25274757 1
C C4 1 -0.07371040 0.19294151 0.95435639 1
C C5 1 0.70229333 0.74720488 0.74795856 1
| -154.310944 |
8,970 | C-137433-3629-71 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47583000
_cell_length_b 6.46401000
_cell_length_c 6.65544000
_cell_angle_alpha 83.62427000
_cell_angle_beta 79.29613000
_cell_angle_gamma 78.94493000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 102.40213929
_cell_formula_units_Z 18
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 0.14487344 0.06952484 0.95512856 1
C C1 1 0.50450540 0.74415513 0.56014928 1
C C2 1 0.27471002 0.40623544 0.36444359 1
C C3 1 0.37546387 0.97059512 0.58360234 1
C C4 1 0.26084170 0.82128057 -0.02370556 1
C C5 1 0.68267982 0.28078529 0.66747939 1
C C6 1 0.61703594 0.19448323 0.88645917 1
C C7 1 0.02109395 0.08521814 0.19371025 1
C C8 1 0.12579008 0.84200990 0.22435563 1
C C9 1 0.62570372 0.74193894 0.32386779 1
C C10 1 0.88800304 0.49254167 0.04486621 1
C C11 1 0.00531343 0.64154577 0.66232929 1
C C12 1 1.15305905 0.40412643 0.60224849 1
C C13 1 0.76116427 0.51925892 0.27789378 1
C C14 1 0.43806988 0.21420517 0.23094514 1
C C15 1 0.46118357 0.36124574 0.03035494 1
C C16 1 -0.14422143 0.70001414 0.90798603 1
C C17 1 0.82374023 0.07083166 0.58738117 1
| -154.26185 |
4,487 | C-92140-8673-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.54541000
_cell_length_b 2.46133000
_cell_length_c 10.71468000
_cell_angle_alpha 95.89219000
_cell_angle_beta 99.80875000
_cell_angle_gamma 90.16099000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 65.78360799
_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 0.65949254 0.47136525 0.05655675 1
C C1 1 -0.09463981 1.05918776 0.25364462 1
C C2 1 0.33979010 0.35563133 0.79408410 1
C C3 1 1.03021553 1.13556575 0.39325022 1
C C4 1 0.57489339 0.18271754 0.45649662 1
C C5 1 0.82840284 0.53169442 0.18957609 1
C C6 1 0.57561397 -0.05657618 -0.00820019 1
C C7 1 0.41404050 0.88323494 0.85871424 1
C C8 1 0.21763354 0.29155797 0.65470746 1
C C9 1 0.67205020 0.26032772 0.59087968 1
| -154.133029 |
1,806 | C-72708-4973-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12889000
_cell_length_b 5.88252000
_cell_length_c 3.61890000
_cell_angle_alpha 99.87154000
_cell_angle_beta 97.31720000
_cell_angle_gamma 133.34631000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.84387508
_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 0.65579265 0.45545172 0.24082822 1
C C1 1 0.65232638 0.95695520 0.30020326 1
C C2 1 0.03750949 0.64618290 0.02714036 1
C C3 1 0.03403852 0.14765887 0.08646250 1
C C4 1 1.03732685 0.64619935 0.64531350 1
C C5 1 0.65224291 0.95723366 0.68198867 1
| -154.134199 |
3,890 | C-193944-7687-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43000000
_cell_length_b 2.42969000
_cell_length_c 8.50169000
_cell_angle_alpha 95.83540000
_cell_angle_beta 98.11799000
_cell_angle_gamma 59.99647000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.00496241
_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 0.06009278 0.64234721 1.03495215 1
C C1 1 0.53984338 0.35555324 0.70154826 1
C C2 1 0.39317761 0.97622280 0.03500347 1
C C3 1 0.53769723 0.03710067 0.36711991 1
C C4 1 0.20638216 0.02277197 0.70196593 1
C C5 1 0.87159944 0.36972041 0.36738747 1
| -154.462216 |
6,811 | C-192657-979-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46567000
_cell_length_b 7.72610000
_cell_length_c 7.59747000
_cell_angle_alpha 125.29553000
_cell_angle_beta 97.94179000
_cell_angle_gamma 93.69654000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 115.11542131
_cell_formula_units_Z 18
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 0.55851753 0.76004505 0.04144541 1
C C1 1 0.73296398 0.40167068 0.23217080 1
C C2 1 0.72880056 0.10213402 0.29252264 1
C C3 1 0.19984331 0.28139772 0.19024744 1
C C4 1 0.48801137 0.96566714 0.64294553 1
C C5 1 0.31080514 0.90434989 0.40954112 1
C C6 1 0.81345842 0.61379041 0.38514005 1
C C7 1 0.97713533 0.62296656 0.93913817 1
C C8 1 0.07973428 0.06269506 0.78295279 1
C C9 1 0.27228234 0.23668450 0.36273022 1
C C10 1 0.74778166 0.91399885 0.30463091 1
C C11 1 0.36052607 0.73403505 0.45266500 1
C C12 1 0.59261912 0.96296024 0.03332054 1
C C13 1 0.09463255 0.04341476 -0.01809538 1
C C14 1 0.26836717 0.30172760 0.87504953 1
C C15 1 0.83998587 0.40831891 0.91081217 1
C C16 1 0.35926970 0.43023419 0.58891434 1
C C17 1 0.90311360 0.50828422 0.69600252 1
| -154.088268 |
7,054 | C-142742-7620-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47479000
_cell_length_b 3.77974000
_cell_length_c 9.70425000
_cell_angle_alpha 66.64339000
_cell_angle_beta 82.72594000
_cell_angle_gamma 89.79134000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 82.55689681
_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 -0.13443704 0.34818193 0.86586268 1
C C1 1 0.25821075 0.39304276 0.07740017 1
C C2 1 0.13219177 0.62602134 0.32121743 1
C C3 1 0.47212743 0.86790302 0.64390117 1
C C4 1 0.92094823 0.16589535 0.75210276 1
C C5 1 0.52879324 0.68421490 0.53025160 1
C C6 1 0.66446676 0.56730671 0.25797256 1
C C7 1 0.92454826 0.76276795 0.74359523 1
C C8 1 0.46858724 0.27068639 0.65258494 1
C C9 1 0.72503598 0.44960848 0.14114741 1
C C10 1 0.32191140 0.31282604 0.95242867 1
C C11 1 0.07055478 0.71638882 0.44393969 1
| -154.145458 |
5,023 | C-148252-2749-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43345000
_cell_length_b 4.81697000
_cell_length_c 4.22389000
_cell_angle_alpha 90.61693000
_cell_angle_beta 73.28816000
_cell_angle_gamma 104.68997000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.76718105
_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 0.37970441 0.09483731 0.16753537 1
C C1 1 0.23878350 0.34188142 0.69301503 1
C C2 1 0.08127994 0.55433608 0.22104495 1
C C3 1 0.32437290 0.81334658 0.99454874 1
C C4 1 0.18365209 0.06597111 0.53205914 1
C C5 1 1.02501864 0.27820499 0.06018578 1
C C6 1 0.88354589 0.52527227 0.58586869 1
C C7 1 0.94017392 0.80704913 0.75861810 1
| -154.22906 |
8,391 | C-137383-3337-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47136000
_cell_length_b 7.18978000
_cell_length_c 7.95199000
_cell_angle_alpha 75.57466000
_cell_angle_beta 98.93486000
_cell_angle_gamma 80.12182000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C22
_cell_volume 131.87563851
_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 0.19731122 0.58884978 0.36058335 1
C C1 1 -0.11418392 0.47903072 0.63498967 1
C C2 1 0.44083357 1.01154674 0.26184251 1
C C3 1 0.79603572 0.46995112 0.44148391 1
C C4 1 0.85290936 1.10190209 0.17596340 1
C C5 1 0.14794979 0.43945042 0.11465107 1
C C6 1 0.18766467 1.01108481 0.75482939 1
C C7 1 0.35573291 0.80970573 -0.10693711 1
C C8 1 -0.09173512 0.81877565 0.01009405 1
C C9 1 1.07556465 0.63407504 0.16499031 1
C C10 1 0.42125387 0.62117212 0.83814865 1
C C11 1 0.58406129 0.85562766 0.39864625 1
C C12 1 0.74932373 0.31688191 0.19213976 1
C C13 1 0.46500308 0.17912041 0.48650507 1
C C14 1 0.61021756 0.06255859 0.65177183 1
C C15 1 0.16636413 0.75092122 0.46003563 1
C C16 1 0.79199587 0.04783612 0.00278702 1
C C17 1 0.04828782 0.34071613 0.81675354 1
C C18 1 0.19703115 0.12824400 0.89211489 1
C C19 1 1.02320251 0.49431731 0.91479292 1
C C20 1 0.87338407 0.27521937 0.39953119 1
C C21 1 0.32694757 0.60704376 0.64305518 1
| -154.168577 |
7,672 | C-193952-2283-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44376000
_cell_length_b 4.24418000
_cell_length_c 6.35930000
_cell_angle_alpha 108.98325000
_cell_angle_beta 78.94505000
_cell_angle_gamma 73.24307000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.67426089
_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 0.95063894 0.18072538 0.53226934 1
C C1 1 0.34092466 0.40950525 0.52183363 1
C C2 1 0.09666187 0.27713680 0.14397411 1
C C3 1 1.19592360 0.31294640 0.91001401 1
C C4 1 0.22175850 0.84319046 0.32319566 1
C C5 1 0.86189647 0.12839315 0.76282823 1
C C6 1 0.43069180 0.46191666 0.29142506 1
C C7 1 0.31038126 0.88664575 0.10098099 1
C C8 1 1.06467470 0.74746298 0.73166151 1
C C9 1 -0.02487051 0.70419048 0.95395866 1
| -154.282076 |
8,511 | C-47633-513-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43176000
_cell_length_b 5.66418000
_cell_length_c 4.20304000
_cell_angle_alpha 89.10987000
_cell_angle_beta 89.88031000
_cell_angle_gamma 96.16381000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.55032976
_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 0.11611256 0.41360103 0.70840477 1
C C1 1 0.03351672 0.91424135 0.43735898 1
C C2 1 1.11585899 0.41391467 1.04112330 1
C C3 1 0.53326315 0.91455499 0.27007750 1
C C4 1 0.61611256 0.41360103 0.20840477 1
C C5 1 1.03326315 0.91455499 0.77007750 1
C C6 1 0.61585899 0.41391467 0.54112330 1
C C7 1 0.53351672 0.91424135 0.93735898 1
| -154.457061 |
9,039 | C-92134-5968-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51247000
_cell_length_b 5.47732000
_cell_length_c 4.62340000
_cell_angle_alpha 111.72188000
_cell_angle_beta 98.39804000
_cell_angle_gamma 87.25695000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.47231705
_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 0.43817239 0.16025702 0.76507220 1
C C1 1 -0.11000173 0.38593558 0.49771994 1
C C2 1 0.82765115 0.60492257 0.05477979 1
C C3 1 0.91566156 0.33201210 0.80694887 1
C C4 1 0.36037113 0.68811361 0.26855796 1
C C5 1 0.36485258 0.99300718 0.40458234 1
C C6 1 0.60374383 0.74231405 0.83681852 1
C C7 1 -0.17460450 0.09885052 0.28842080 1
C C8 1 0.40358072 0.55387473 0.51219195 1
C C9 1 0.61960635 -0.00034637 -0.04964137 1
| -154.126199 |
2,517 | C-107752-5318-58 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45923000
_cell_length_b 5.81390000
_cell_length_c 6.35169000
_cell_angle_alpha 118.15191000
_cell_angle_beta 78.86757000
_cell_angle_gamma 115.00503000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.56395012
_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 -0.01690984 0.29723982 0.31540448 1
C C1 1 0.53547517 0.90330825 0.42949739 1
C C2 1 0.53977271 0.41062677 0.42947994 1
C C3 1 -0.00539338 0.80564024 0.31498489 1
C C4 1 0.60530366 0.09995034 0.68493690 1
C C5 1 0.92674440 0.60895797 0.05951349 1
C C6 1 0.12531615 0.69732625 0.83623380 1
C C7 1 0.27476645 0.42823371 0.00237261 1
C C8 1 0.53802599 0.53968080 0.69556993 1
C C9 1 0.98851460 0.16886142 0.04928817 1
C C10 1 0.25688610 0.28049012 0.74238677 1
C C11 1 0.40160640 1.01108060 0.90814172 1
| -154.235451 |
1,325 | C-76006-9814-60 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48858000
_cell_length_b 4.30555000
_cell_length_c 4.30363000
_cell_angle_alpha 99.57544000
_cell_angle_beta 90.04079000
_cell_angle_gamma 106.76164000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.47987194
_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 0.76573312 0.40132705 0.61590604 1
C C1 1 0.45281217 0.77627429 0.17905285 1
C C2 1 0.51554576 0.90127503 0.86610979 1
C C3 1 0.20292002 0.27627908 0.42883482 1
C C4 1 0.70291937 0.27620430 0.92881815 1
C C5 1 -0.04727978 0.77619256 0.67902683 1
C C6 1 0.26580304 0.40135409 0.11591199 1
C C7 1 0.01565191 0.90138619 0.36614093 1
| -154.547844 |
3,494 | C-141071-4819-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57582000
_cell_length_b 4.07751000
_cell_length_c 6.63733000
_cell_angle_alpha 118.55519000
_cell_angle_beta 102.39306000
_cell_angle_gamma 107.17180000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 73.55613136
_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 0.34192358 -0.13888571 -0.02241120 1
C C1 1 0.69678142 -0.00660041 0.76007567 1
C C2 1 0.77742586 0.70029810 0.39042376 1
C C3 1 0.42130095 0.56717462 0.60748896 1
C C4 1 0.66558200 0.19447478 -0.01016976 1
C C5 1 0.90069970 0.62610984 0.18938684 1
C C6 1 0.21878997 0.93508780 0.17841378 1
C C7 1 0.20553915 0.48037509 0.73677559 1
C C8 1 0.91257753 0.08065327 0.63091383 1
C C9 1 0.45316124 0.36696454 0.37768064 1
| -154.191707 |
7,530 | C-134191-3585-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36189000
_cell_length_b 4.50961000
_cell_length_c 6.04734000
_cell_angle_alpha 104.78889000
_cell_angle_beta 92.79771000
_cell_angle_gamma 97.73907000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 87.50628615
_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 0.25120859 0.82937099 0.22880380 1
C C1 1 0.44324783 0.69372188 0.04116566 1
C C2 1 0.60868772 1.16047123 0.88096808 1
C C3 1 0.13289987 0.62422714 0.35474038 1
C C4 1 0.78184641 0.62207895 0.70956348 1
C C5 1 0.78383299 0.29396520 0.70719318 1
C C6 1 0.94651842 0.76039924 0.54528885 1
C C7 1 0.61190600 0.83270723 0.87847620 1
C C8 1 0.14498841 0.10694111 0.33762065 1
C C9 1 0.44027706 0.37361584 0.04708432 1
C C10 1 0.24314818 0.34763096 0.24875488 1
C C11 1 0.94968743 0.08036844 0.53999432 1
| -154.206587 |
7,227 | C-9603-8567-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48607000
_cell_length_b 4.14632000
_cell_length_c 6.67718000
_cell_angle_alpha 78.61966000
_cell_angle_beta 89.98733000
_cell_angle_gamma 90.00287000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.47540407
_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 0.34206560 0.55305211 0.68460588 1
C C1 1 0.84233906 0.79843734 1.06790654 1
C C2 1 -0.15770761 0.49430031 0.37986176 1
C C3 1 0.34234558 0.00123282 0.36166695 1
C C4 1 0.34232154 0.36865241 0.29378308 1
C C5 1 0.84143117 1.07079939 0.68758789 1
C C6 1 0.34204407 0.34935962 0.91143320 1
C C7 1 0.34151092 0.92076172 0.61556031 1
C C8 1 0.34228050 0.57162747 0.06837876 1
C C9 1 -0.15812347 0.42536902 0.59994114 1
C C10 1 0.84238622 0.84954993 0.29154470 1
C C11 1 0.84188072 0.12194726 0.91217130 1
| -154.39343 |
5,942 | C-152607-7999-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.67998000
_cell_length_b 4.26451000
_cell_length_c 5.48346000
_cell_angle_alpha 57.58435000
_cell_angle_beta 61.37859000
_cell_angle_gamma 58.05081000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.18852094
_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 0.66313531 0.07533484 0.85591188 1
C C1 1 0.50645220 0.92132368 0.16607168 1
C C2 1 0.45017059 0.47983261 0.66427279 1
C C3 1 0.10449767 0.13387857 0.35685777 1
C C4 1 0.71939659 0.51677651 0.35749501 1
C C5 1 1.06540713 -0.13701180 0.66489495 1
| -154.101568 |
4,640 | C-189715-4459-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46343000
_cell_length_b 3.38834000
_cell_length_c 5.83169000
_cell_angle_alpha 78.56572000
_cell_angle_beta 65.00861000
_cell_angle_gamma 68.70832000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.04984187
_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 0.70738354 0.69366992 0.21620713 1
C C1 1 0.94764006 0.76260362 -0.05893679 1
C C2 1 0.17484904 0.50761737 0.34214861 1
C C3 1 0.32848122 0.05514925 0.41398447 1
C C4 1 0.55495412 0.79953095 0.81503143 1
C C5 1 0.79582343 0.86874709 0.53984654 1
| -154.165457 |
5,441 | C-73655-1582-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38932000
_cell_length_b 4.78471000
_cell_length_c 4.66932000
_cell_angle_alpha 113.32842000
_cell_angle_beta 119.65607000
_cell_angle_gamma 91.88905000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.88442317
_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 0.43551344 0.56671048 1.09085278 1
C C1 1 0.12129180 0.24953902 0.45792346 1
C C2 1 0.41116553 0.54161678 0.58836510 1
C C3 1 0.59627690 0.72775347 0.96218691 1
C C4 1 0.12689701 0.25554357 0.77568437 1
C C5 1 0.88669833 0.01964325 0.09243283 1
C C6 1 0.57232215 0.70185500 0.45942133 1
C C7 1 -0.11911016 1.01388723 0.77465242 1
| -154.176433 |
5,256 | C-193920-1389-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44969000
_cell_length_b 5.72839000
_cell_length_c 5.22004000
_cell_angle_alpha 120.72669000
_cell_angle_beta 90.02480000
_cell_angle_gamma 90.02152000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.96816699
_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 0.96496123 0.21098598 -0.00973013 1
C C1 1 0.46559751 0.82958892 0.27391413 1
C C2 1 0.96503241 0.32047685 0.79072211 1
C C3 1 0.46499840 0.37403487 0.70242956 1
C C4 1 -0.03455172 0.66478742 0.56507770 1
C C5 1 0.96523693 -0.10220680 0.88941418 1
C C6 1 -0.03443764 0.77804898 0.36424314 1
C C7 1 0.46516456 0.25434171 0.17752522 1
C C8 1 0.46544702 0.94080875 1.07584840 1
C C9 1 0.46512630 0.48723661 0.50185948 1
| -154.202456 |
6,746 | C-34631-1494-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43651000
_cell_length_b 5.88557000
_cell_length_c 7.47554000
_cell_angle_alpha 99.82004000
_cell_angle_beta 96.77182000
_cell_angle_gamma 100.18163000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 102.74821856
_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 -0.06255503 0.03459251 0.86116682 1
C C1 1 0.73266820 0.64979361 0.99317193 1
C C2 1 0.43205674 0.75889833 0.60293841 1
C C3 1 0.02110129 0.29543672 0.86225231 1
C C4 1 0.20447493 0.67681988 0.87781292 1
C C5 1 0.45130138 0.49524724 0.61164800 1
C C6 1 0.90615681 -0.15259871 0.34165905 1
C C7 1 0.00145552 0.46006896 0.72469121 1
C C8 1 0.30874248 0.36860618 0.41918646 1
C C9 1 0.88498371 0.85247022 0.14845412 1
C C10 1 0.61132707 0.22689495 1.12933210 1
C C11 1 0.60905220 0.38210067 0.98291330 1
C C12 1 0.35809434 0.88951177 0.79053867 1
C C13 1 -0.24964040 0.32935091 0.32741855 1
C C14 1 0.43808535 0.83449654 0.43279647 1
C C15 1 1.02296050 0.07195331 0.07588857 1
| -154.077707 |
9,647 | C-134173-4385-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47570000
_cell_length_b 4.18346000
_cell_length_c 4.79419000
_cell_angle_alpha 64.11018000
_cell_angle_beta 90.00177000
_cell_angle_gamma 90.00014000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.66994342
_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 0.91668702 0.72131855 0.71392384 1
C C1 1 0.41682510 0.96588375 0.22542508 1
C C2 1 0.41672759 0.66905640 0.55886522 1
C C3 1 0.91689441 0.91361120 1.07036512 1
C C4 1 0.41705914 0.29894016 0.55948841 1
C C5 1 0.91663632 0.54228414 0.07065741 1
C C6 1 0.41671708 0.33488726 0.22596713 1
C C7 1 -0.08287286 0.09103804 0.71446319 1
| -154.402566 |
5,782 | C-96709-3568-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91964000
_cell_length_b 3.63887000
_cell_length_c 4.81871000
_cell_angle_alpha 112.21548000
_cell_angle_beta 85.28348000
_cell_angle_gamma 110.69384000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.25871119
_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 0.76075712 0.15634419 0.33202701 1
C C1 1 0.76369562 0.37098267 0.14058462 1
C C2 1 0.76421994 0.21735407 0.83166487 1
C C3 1 0.76634814 0.43154251 0.64011034 1
C C4 1 0.76495503 0.77718655 0.33252204 1
C C5 1 -0.23659646 0.81136362 0.63989832 1
| -154.143926 |
4,895 | C-96667-7746-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.57064000
_cell_length_b 4.49066000
_cell_length_c 5.75146000
_cell_angle_alpha 76.80847000
_cell_angle_beta 81.78779000
_cell_angle_gamma 75.63325000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.35843499
_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 0.11926245 0.51848278 0.76983526 1
C C1 1 0.96747969 0.62896177 0.14682177 1
C C2 1 0.01283720 0.41575081 0.57237652 1
C C3 1 0.88748573 0.66424936 0.37818022 1
C C4 1 0.89643922 0.90388127 0.98169727 1
C C5 1 0.70567496 0.16627333 0.10557109 1
C C6 1 0.11075472 1.08536131 0.52495062 1
C C7 1 0.13678693 0.36001930 1.03225394 1
C C8 1 1.05638185 0.85064109 0.75222710 1
C C9 1 0.69630753 1.01213617 0.38235120 1
| -154.068272 |
5,374 | C-134183-9440-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43221000
_cell_length_b 4.86087000
_cell_length_c 6.11628000
_cell_angle_alpha 67.70534000
_cell_angle_beta 80.70909000
_cell_angle_gamma 59.81146000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.79225101
_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 0.47409646 0.06569347 0.28672010 1
C C1 1 0.47409646 0.56569347 0.28672010 1
C C2 1 0.14043506 0.89867963 0.28679153 1
C C3 1 0.88213536 0.95408587 0.78705573 1
C C4 1 1.14043506 0.39867963 0.28679153 1
C C5 1 0.21579676 0.62109972 0.78698430 1
C C6 1 0.88213536 0.45408587 0.78705573 1
C C7 1 0.21579676 0.12109972 0.78698430 1
| -154.467745 |
4,097 | C-90800-1393-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50463000
_cell_length_b 7.90689000
_cell_length_c 5.38018000
_cell_angle_alpha 109.75378000
_cell_angle_beta 90.00509000
_cell_angle_gamma 89.99739000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 100.27822595
_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 0.46339506 0.67452014 0.87108767 1
C C1 1 -0.03624208 -0.09106507 0.22276105 1
C C2 1 0.96389902 0.41384774 0.10603672 1
C C3 1 0.46379326 0.79863552 0.69389580 1
C C4 1 0.46366957 0.37696818 0.49870488 1
C C5 1 0.96368225 0.41579235 0.37944085 1
C C6 1 -0.03620721 0.08456136 0.35406828 1
C C7 1 0.46388595 0.37550388 0.94774233 1
C C8 1 0.46346846 0.49556061 0.78331949 1
C C9 1 0.96380703 0.58660120 0.32600433 1
C C10 1 0.96382762 0.90828029 0.75232708 1
C C11 1 0.46400840 0.17772170 0.77407877 1
C C12 1 0.46372266 0.79939836 0.17012225 1
C C13 1 0.46381311 0.17822321 0.47073848 1
C C14 1 0.46378110 0.69277736 0.37954020 1
C C15 1 0.96398890 1.08396637 0.79708961 1
| -154.125824 |
2,301 | C-40089-3949-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44185000
_cell_length_b 4.53897000
_cell_length_c 6.69269000
_cell_angle_alpha 119.67556000
_cell_angle_beta 111.41486000
_cell_angle_gamma 90.03446000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.47203023
_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 0.14162940 0.23859992 0.72993179 1
C C1 1 0.77805681 0.47002209 0.86637961 1
C C2 1 0.12926566 0.85973322 0.71651931 1
C C3 1 0.20005170 0.46197152 0.28383673 1
C C4 1 0.05831216 0.62808782 0.14632015 1
C C5 1 0.21766143 -0.00358878 0.30436280 1
C C6 1 0.88046639 0.18484159 0.46857760 1
C C7 1 0.87026469 0.52906184 0.45620208 1
C C8 1 0.03369307 0.09213470 0.11944994 1
C C9 1 0.76379600 0.82699709 0.85173800 1
| -154.081523 |
527 | C-170329-7952-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48266000
_cell_length_b 4.26843000
_cell_length_c 6.07414000
_cell_angle_alpha 62.22895000
_cell_angle_beta 90.00349000
_cell_angle_gamma 90.00184000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.95389463
_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 0.21503434 0.80112314 0.65347429 1
C C1 1 0.71540192 0.68058057 0.11531046 1
C C2 1 0.71532593 0.38237497 1.04773450 1
C C3 1 0.21547988 0.91117276 0.00458710 1
C C4 1 0.71517834 0.63585266 0.38125987 1
C C5 1 0.71503242 0.57020081 0.76446288 1
C C6 1 0.21506764 0.09936604 0.72115642 1
C C7 1 0.71509532 0.32639688 0.64071285 1
C C8 1 1.21535914 0.15509036 1.12835366 1
C C9 1 0.21522188 0.84593491 0.38754886 1
| -154.406407 |
2,874 | C-145355-492-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52918000
_cell_length_b 4.71337000
_cell_length_c 8.25281000
_cell_angle_alpha 82.60348000
_cell_angle_beta 78.06127000
_cell_angle_gamma 77.40589000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 93.57643415
_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 -0.02939563 0.83615397 0.15837042 1
C C1 1 0.36075893 0.63525190 0.80829581 1
C C2 1 0.01393943 0.60531676 0.29704131 1
C C3 1 0.86945389 0.28444537 0.01132614 1
C C4 1 0.66324835 -0.04064167 0.51926310 1
C C5 1 0.46804694 0.12909785 -0.04344138 1
C C6 1 0.90901793 0.67258141 0.45265819 1
C C7 1 1.01855270 0.41738474 0.57261743 1
C C8 1 0.79315688 0.17675059 0.19643669 1
C C9 1 0.78273367 0.59731568 0.92502857 1
C C10 1 0.13859985 0.14731091 0.47029622 1
C C11 1 0.47259096 -0.09364294 0.70649770 1
C C12 1 0.19200470 0.27284849 0.28543718 1
C C13 1 0.51196585 0.12788303 0.78141413 1
C C14 1 0.47440739 0.40666004 0.68520543 1
C C15 1 0.55342487 0.82836266 0.04795745 1
| -154.158639 |
222 | C-57184-9037-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45961000
_cell_length_b 6.16752000
_cell_length_c 6.70102000
_cell_angle_alpha 88.55508000
_cell_angle_beta 86.27873000
_cell_angle_gamma 88.96876000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 101.39220358
_cell_formula_units_Z 18
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 0.46200470 0.84750879 0.30093695 1
C C1 1 0.48664914 0.87809059 0.91871849 1
C C2 1 0.46838049 0.74220705 0.09500643 1
C C3 1 0.45580628 0.10001548 0.29745370 1
C C4 1 0.44441078 0.42852760 0.54780208 1
C C5 1 -0.02815628 0.45716646 0.88664165 1
C C6 1 -0.04244165 0.51651525 0.43681823 1
C C7 1 0.96806621 0.58973660 0.07719345 1
C C8 1 0.98422875 0.20263130 0.19399214 1
C C9 1 -0.14864199 1.08704633 0.63366670 1
C C10 1 0.46444242 0.51574319 0.76164866 1
C C11 1 0.95316011 0.76540931 0.41353427 1
C C12 1 0.39158476 0.17982395 0.52774525 1
C C13 1 0.97130050 0.43231078 0.23785669 1
C C14 1 0.04888037 0.21704201 0.95725652 1
C C15 1 -0.06280875 0.84421407 0.62070155 1
C C16 1 0.60476676 0.10556413 0.87196129 1
C C17 1 0.44328362 0.76096403 0.73258215 1
| -154.213614 |
352 | C-41290-3170-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45147000
_cell_length_b 4.17959000
_cell_length_c 8.93398000
_cell_angle_alpha 110.76153000
_cell_angle_beta 102.94500000
_cell_angle_gamma 98.71165000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.69788111
_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 -0.20930880 0.31924251 0.23124330 1
C C1 1 0.09607218 0.19631575 0.96582437 1
C C2 1 1.03230639 0.24012081 0.80462267 1
C C3 1 0.90855770 0.80419272 0.93462817 1
C C4 1 0.21269471 0.68106347 0.66889654 1
C C5 1 -0.03521010 0.61432249 0.40099101 1
C C6 1 0.24024783 0.10170175 0.24206077 1
C C7 1 0.76307577 0.89843673 0.65777008 1
C C8 1 1.03789925 0.38542438 0.49906273 1
C C9 1 0.73992078 0.38712828 0.07375198 1
C C10 1 0.54604533 0.84081363 0.46666683 1
C C11 1 0.97195581 0.76026684 0.09585416 1
C C12 1 0.26484213 0.61368851 0.82683580 1
C C13 1 0.45634002 0.15893713 0.43298310 1
| -154.106954 |
1,083 | C-130499-1826-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44670000
_cell_length_b 4.57235000
_cell_length_c 6.37584000
_cell_angle_alpha 92.43821000
_cell_angle_beta 78.91238000
_cell_angle_gamma 105.55115000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.43069087
_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 0.89108872 0.38955015 0.42071966 1
C C1 1 0.37072232 0.08772896 0.16404693 1
C C2 1 0.58641292 0.86252714 0.50588421 1
C C3 1 0.58216381 0.39503460 0.05120246 1
C C4 1 0.05010653 0.91545868 0.63122844 1
C C5 1 0.36289699 0.87158380 -0.03264828 1
C C6 1 0.44563062 0.53103353 0.45494503 1
C C7 1 0.17148903 0.53778431 0.01706338 1
C C8 1 0.79641916 0.08530169 0.30850237 1
C C9 1 0.95241539 -0.07499256 0.84121070 1
| -154.161818 |
6,282 | C-172943-9308-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51212000
_cell_length_b 4.63092000
_cell_length_c 5.47580000
_cell_angle_alpha 68.26051000
_cell_angle_beta 87.19190000
_cell_angle_gamma 81.50394000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.52116397
_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 0.25256352 0.97423318 0.27324271 1
C C1 1 0.31661578 0.76583431 0.56012230 1
C C2 1 0.22606750 0.28211197 0.32716675 1
C C3 1 0.73958045 -0.01221515 0.10494316 1
C C4 1 0.70277786 0.24089551 0.49961439 1
C C5 1 0.78208909 0.74359328 0.97199716 1
C C6 1 0.77658673 0.88190045 0.66627713 1
C C7 1 0.54044486 0.31284061 0.91638335 1
C C8 1 0.31513656 0.52949102 1.05519271 1
C C9 1 0.52272524 0.42836283 0.65873095 1
| -154.128439 |
1,836 | C-189748-4840-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48828000
_cell_length_b 4.30639000
_cell_length_c 4.30489000
_cell_angle_alpha 119.99513000
_cell_angle_beta 73.20432000
_cell_angle_gamma 125.28227000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.61257529
_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 0.87930447 0.23435243 0.64694971 1
C C1 1 0.12947217 0.65112847 -0.01966238 1
C C2 1 0.12947217 -0.01553819 0.64700429 1
C C3 1 -0.12069553 0.56768576 0.31361638 1
C C4 1 0.87930447 0.90101909 0.98028305 1
C C5 1 1.12947217 0.31779514 0.31367095 1
| -154.54782 |
5,414 | C-28262-8273-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71516000
_cell_length_b 3.93665000
_cell_length_c 4.83951000
_cell_angle_alpha 87.17417000
_cell_angle_beta 110.73650000
_cell_angle_gamma 49.10775000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 70.63063909
_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 -0.05507653 0.73390519 0.20820150 1
C C1 1 0.05091048 0.51044904 0.52042499 1
C C2 1 0.69924233 0.22069729 0.99232135 1
C C3 1 0.45404890 0.70561923 -0.03758144 1
C C4 1 0.45458076 0.70631303 0.48143271 1
C C5 1 0.70091858 0.21929519 0.69682162 1
C C6 1 0.94610665 0.73385407 0.72763003 1
C C7 1 0.30296113 1.00258554 0.64621858 1
C C8 1 0.34767107 -0.07065479 0.16900533 1
C C9 1 0.09702554 0.43724032 1.04390273 1
| -154.189678 |
2,304 | C-73665-9416-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48173000
_cell_length_b 3.66505000
_cell_length_c 5.57466000
_cell_angle_alpha 109.28726000
_cell_angle_beta 77.13485000
_cell_angle_gamma 89.99625000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.50842550
_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 0.52054002 0.88246189 0.68017590 1
C C1 1 0.40474652 0.73480425 0.90519177 1
C C2 1 0.28603674 0.11766015 0.14697075 1
C C3 1 0.78613628 0.35646664 0.14699620 1
C C4 1 0.02027089 0.12206837 0.68075155 1
C C5 1 0.17478256 0.96894084 0.37160882 1
C C6 1 0.90477245 0.49536311 0.90497168 1
C C7 1 0.67504494 0.73033117 0.37124773 1
| -154.242154 |
4,658 | C-72752-8394-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48127000
_cell_length_b 4.21962000
_cell_length_c 3.68793000
_cell_angle_alpha 104.93822000
_cell_angle_beta 70.35987000
_cell_angle_gamma 90.01451000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.97857398
_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 0.33062182 0.39177198 0.94019109 1
C C1 1 0.53140601 0.46739729 0.54251393 1
C C2 1 0.01077864 0.68926919 0.58278482 1
C C3 1 0.78659152 0.89594373 0.02847778 1
C C4 1 0.75260265 0.26094775 0.09661712 1
C C5 1 0.20776936 0.76562046 0.18591696 1
| -154.310564 |
3,233 | C-13649-661-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45846000
_cell_length_b 5.43145000
_cell_length_c 6.74185000
_cell_angle_alpha 61.05593000
_cell_angle_beta 68.94019000
_cell_angle_gamma 63.10581000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 69.11207998
_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 0.46353152 0.29048113 0.84898425 1
C C1 1 0.16552081 0.63112254 0.80732221 1
C C2 1 0.67495699 0.20816918 0.22230755 1
C C3 1 0.90275408 0.67389974 1.02582500 1
C C4 1 0.06860935 0.67762787 0.35887489 1
C C5 1 0.00339383 0.37944719 0.22239264 1
C C6 1 0.73410609 0.92641207 0.44431331 1
C C7 1 0.71062092 0.47648048 0.41904593 1
C C8 1 0.20329649 0.81428072 1.08604966 1
C C9 1 0.75307114 0.21479748 0.63800269 1
C C10 1 1.09439389 0.91661883 0.59591421 1
C C11 1 0.95561359 0.14858607 1.00051807 1
| -154.209989 |
8,127 | C-148246-9859-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44094000
_cell_length_b 7.12511000
_cell_length_c 6.03229000
_cell_angle_alpha 78.64877000
_cell_angle_beta 81.55356000
_cell_angle_gamma 82.83881000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 101.24838184
_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 0.17817901 0.54565884 0.08355018 1
C C1 1 0.08542960 0.85797159 0.31262293 1
C C2 1 0.31485798 0.70382793 0.68034147 1
C C3 1 0.11681457 0.24589285 0.45920374 1
C C4 1 0.20528093 0.72675804 0.91953860 1
C C5 1 0.61482008 0.85044060 0.20372241 1
C C6 1 0.81169657 0.18981576 0.08577258 1
C C7 1 0.64584206 0.84140013 0.96058497 1
C C8 1 0.52349333 0.04310883 0.80104776 1
C C9 1 0.09614072 0.87078645 0.54648705 1
C C10 1 1.06994520 1.05639733 0.64452082 1
C C11 1 0.67829391 0.26993647 0.30459937 1
C C12 1 0.99525392 0.42617989 0.57380006 1
C C13 1 0.67631505 0.46473218 0.15703081 1
C C14 1 0.36282306 0.16661362 0.97861871 1
C C15 1 0.44737582 0.51317580 0.61025454 1
| -154.070194 |
949 | C-102881-6389-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48600000
_cell_length_b 3.49983000
_cell_length_c 8.29783000
_cell_angle_alpha 91.50226000
_cell_angle_beta 107.38114000
_cell_angle_gamma 85.10632000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.64817528
_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 0.81409071 0.47105948 0.26388016 1
C C1 1 0.54624707 0.14640074 0.62463114 1
C C2 1 0.67737063 0.91051822 0.78830151 1
C C3 1 -0.15940981 0.15839311 0.94505688 1
C C4 1 0.98675596 0.09596846 0.26393880 1
C C5 1 -0.01846912 0.41843516 0.62455696 1
C C6 1 1.02738951 0.78461323 0.38961025 1
C C7 1 0.63788646 -0.21558183 0.50070024 1
C C8 1 0.50650924 0.65487007 0.09946546 1
C C9 1 0.18412501 0.65399387 0.78812702 1
C C10 1 0.97044609 0.91112263 0.09953941 1
C C11 1 0.33221816 0.40687156 0.94486118 1
| -154.078243 |
6,355 | C-176677-5553-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23763000
_cell_length_b 4.23403000
_cell_length_c 3.27624000
_cell_angle_alpha 95.25241000
_cell_angle_beta 124.03340000
_cell_angle_gamma 119.87089000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.20280867
_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 1.27752960 0.84215010 0.44696272 1
C C1 1 0.02985853 0.21328245 0.61471655 1
C C2 1 0.59341112 0.15841271 0.44571755 1
C C3 1 0.84098770 0.78704819 0.27788559 1
C C4 1 0.47961137 0.42609297 0.27741718 1
C C5 1 0.39125727 0.57432869 0.61506471 1
| -154.19734 |
5,236 | C-40112-2876-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47015000
_cell_length_b 4.09134000
_cell_length_c 6.12567000
_cell_angle_alpha 92.62717000
_cell_angle_beta 78.35590000
_cell_angle_gamma 89.99280000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.56683712
_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 1.04093672 0.19823569 0.84296737 1
C C1 1 0.44603753 0.70665484 0.03319710 1
C C2 1 0.10555927 0.86159599 0.71556043 1
C C3 1 0.54054495 0.40479508 0.84376968 1
C C4 1 0.78712730 0.22318329 0.35502492 1
C C5 1 0.29355469 0.06861538 0.34116076 1
C C6 1 0.63831794 0.67498288 0.64834701 1
C C7 1 0.31845942 0.71359325 0.28931912 1
C C8 1 0.98136958 0.87793480 0.96077421 1
C C9 1 0.76691551 0.57523739 0.39481361 1
| -154.157324 |
8,951 | C-73623-520-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47574000
_cell_length_b 4.79601000
_cell_length_c 4.86149000
_cell_angle_alpha 67.89816000
_cell_angle_beta 59.37862000
_cell_angle_gamma 89.98974000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.67725849
_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 1.00192211 0.77075295 0.33345259 1
C C1 1 0.29921193 0.10442720 0.03601296 1
C C2 1 -0.07491699 0.61589389 0.91043711 1
C C3 1 0.66861566 0.10444763 0.66657969 1
C C4 1 0.74656400 0.25944086 0.08875839 1
C C5 1 0.55443982 0.61567897 0.28082227 1
C C6 1 0.63250647 0.77086665 0.70280401 1
C C7 1 0.37623160 0.25947015 0.45879539 1
| -154.40721 |
9,334 | C-72701-1899-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47242000
_cell_length_b 4.46761000
_cell_length_c 4.24844000
_cell_angle_alpha 111.39766000
_cell_angle_beta 90.01234000
_cell_angle_gamma 123.58843000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.14078735
_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 0.96644573 0.22666512 0.88694753 1
C C1 1 0.37508985 0.63494099 0.88701378 1
C C2 1 0.80934383 0.06981432 0.16469016 1
C C3 1 0.85562527 0.61544460 0.66404946 1
C C4 1 0.42032408 0.18067521 0.38622805 1
C C5 1 0.26348723 0.02365226 0.66398842 1
| -154.294407 |
386 | C-152563-2721-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45599000
_cell_length_b 2.53126000
_cell_length_c 6.35088000
_cell_angle_alpha 84.07601000
_cell_angle_beta 89.74695000
_cell_angle_gamma 89.38507000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.26850421
_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 0.11753534 0.34980639 0.64487335 1
C C1 1 0.61800978 0.41993599 0.53867884 1
C C2 1 1.11817466 0.25235861 0.87640223 1
C C3 1 0.61834933 0.56440406 0.31780881 1
C C4 1 0.11889141 0.63322573 0.21195394 1
C C5 1 0.11899227 0.72665261 -0.01945468 1
| -154.071619 |
5,902 | C-107762-1536-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42497000
_cell_length_b 3.86943000
_cell_length_c 7.18163000
_cell_angle_alpha 94.29301000
_cell_angle_beta 102.80931000
_cell_angle_gamma 114.23034000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.86970363
_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 0.29028600 0.34141008 0.55778739 1
C C1 1 0.29033685 0.50808103 0.39063162 1
C C2 1 0.79194608 0.25977686 0.64121725 1
C C3 1 0.29104596 1.00876740 -0.10913900 1
C C4 1 1.28954178 0.84051782 1.05745763 1
C C5 1 0.79073934 1.09193868 0.80796811 1
C C6 1 -0.21054581 0.59058250 0.30747149 1
C C7 1 0.79068379 0.75832382 0.14068030 1
| -154.408258 |
4,697 | C-141055-6281-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31879000
_cell_length_b 3.51643000
_cell_length_c 3.51892000
_cell_angle_alpha 60.01730000
_cell_angle_beta 89.99435000
_cell_angle_gamma 89.99190000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.57111287
_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 0.81722460 0.81427758 0.50298817 1
C C1 1 -0.01734537 1.04610423 0.03907919 1
C C2 1 0.31721089 0.35114691 1.03904379 1
C C3 1 0.15065156 0.81465894 0.80723296 1
C C4 1 0.48281753 0.11938110 0.50301903 1
C C5 1 0.65059010 0.35077553 0.73515567 1
| -154.412813 |
9 | C-34621-7921-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42899000
_cell_length_b 6.13617000
_cell_length_c 4.15864000
_cell_angle_alpha 68.69886000
_cell_angle_beta 89.84623000
_cell_angle_gamma 78.67960000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.46531676
_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 0.78455026 0.41210118 0.76047333 1
C C1 1 0.47243645 1.02010393 0.39533757 1
C C2 1 0.69173496 0.59546946 0.89444658 1
C C3 1 0.45573483 0.06489702 0.72208905 1
C C4 1 0.98831867 -0.01235880 0.25795715 1
C C5 1 0.14324369 0.69080015 0.94907978 1
C C6 1 0.33154735 0.31697769 0.70548632 1
C C7 1 1.01576920 0.94352028 0.93077223 1
| -154.21233 |
5,238 | C-157676-6832-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48815000
_cell_length_b 2.48766000
_cell_length_c 6.57763000
_cell_angle_alpha 112.25951000
_cell_angle_beta 100.92777000
_cell_angle_gamma 59.97821000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.62407332
_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 0.70238413 0.67463510 0.43832351 1
C C1 1 1.03606370 0.67427501 0.10504755 1
C C2 1 0.36982228 0.67383774 0.77121431 1
C C3 1 0.70317925 0.92421975 0.68826891 1
C C4 1 0.36945804 0.92396465 0.02142592 1
C C5 1 0.03579241 0.92482325 0.35528430 1
| -154.544097 |
5,140 | C-80160-4880-64 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49785000
_cell_length_b 2.49986000
_cell_length_c 11.01182000
_cell_angle_alpha 96.01957000
_cell_angle_beta 128.39467000
_cell_angle_gamma 96.71529000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.11156950
_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 -0.37239025 0.11899708 0.31415650 1
C C1 1 0.90396340 0.64677942 0.89344334 1
C C2 1 0.17623341 0.54820166 0.81364925 1
C C3 1 0.65881858 0.38069807 0.63962446 1
C C4 1 0.40576654 0.81590175 0.56037732 1
C C5 1 1.11053133 0.95200703 0.14015546 1
C C6 1 0.38270344 -0.14628572 1.06033926 1
C C7 1 0.88061995 0.68380601 0.39346891 1
| -154.082159 |
602 | C-134160-6134-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.60729000
_cell_length_b 4.94407000
_cell_length_c 4.77734000
_cell_angle_alpha 121.21863000
_cell_angle_beta 106.88118000
_cell_angle_gamma 89.81533000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.57306423
_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 0.56889241 0.44520609 0.07587402 1
C C1 1 0.67350705 0.29904845 0.28294350 1
C C2 1 0.56894428 0.94521207 0.07596645 1
C C3 1 0.93999650 0.82495520 0.83533029 1
C C4 1 -0.06008297 0.32495280 0.83524152 1
C C5 1 0.83534851 -0.02814444 0.62835540 1
C C6 1 0.67339162 0.79903943 0.28303104 1
C C7 1 0.83549911 0.47187000 0.62827498 1
| -154.186293 |
8,638 | C-28254-7962-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43229000
_cell_length_b 3.15240000
_cell_length_c 6.41117000
_cell_angle_alpha 65.03887000
_cell_angle_beta 78.93603000
_cell_angle_gamma 84.75866000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.73503791
_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 0.87245318 0.60683331 1.02480873 1
C C1 1 0.53910204 0.60610766 0.69173057 1
C C2 1 0.42832090 0.60824947 0.91323312 1
C C3 1 0.20570533 0.60623338 0.35846666 1
C C4 1 0.76171761 0.60812375 0.24649703 1
C C5 1 0.09496976 0.60752382 0.58015496 1
| -154.456473 |
187 | C-177254-1749-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48257000
_cell_length_b 4.48111000
_cell_length_c 6.28431000
_cell_angle_alpha 99.60005000
_cell_angle_beta 101.37172000
_cell_angle_gamma 89.97307000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.54060223
_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 -0.17231376 -0.03681914 0.93173018 1
C C1 1 0.26853761 0.50870893 0.80995488 1
C C2 1 0.14974995 0.31819203 0.57829693 1
C C3 1 0.47228109 0.22820391 0.22670650 1
C C4 1 0.47699701 0.86957586 0.23428808 1
C C5 1 0.91280741 0.77357434 0.10451288 1
C C6 1 0.26379771 0.86614752 0.80174594 1
C C7 1 -0.09825472 0.25034225 0.08484710 1
C C8 1 0.14888550 0.94388263 0.57582203 1
C C9 1 0.59197004 0.79135700 0.46013132 1
C C10 1 0.83862920 0.48622886 -0.04844217 1
C C11 1 0.59028628 0.41731581 0.45801062 1
| -154.33041 |
7,633 | C-102767-239-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42520000
_cell_length_b 5.70383000
_cell_length_c 10.68349000
_cell_angle_alpha 82.41969000
_cell_angle_beta 86.39125000
_cell_angle_gamma 87.57327000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C22
_cell_volume 146.11541846
_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 0.62095747 0.61917808 0.60404368 1
C C1 1 0.61392052 0.41775711 0.11769194 1
C C2 1 0.14906065 0.19943207 0.49843316 1
C C3 1 1.10930036 0.51063099 0.06853672 1
C C4 1 0.10173080 0.02705696 0.74313189 1
C C5 1 0.18483747 0.66329123 0.34379766 1
C C6 1 1.18227562 0.92414377 0.35540617 1
C C7 1 1.05256532 0.66407116 -0.05308242 1
C C8 1 0.69053534 0.08260175 0.31509646 1
C C9 1 0.53239871 0.81938799 0.92989626 1
C C10 1 0.66510634 0.27916925 0.41498713 1
C C11 1 0.05984952 0.50126356 0.84992294 1
C C12 1 0.57969858 0.44133920 0.79976625 1
C C13 1 0.61125769 0.37686170 0.66937482 1
C C14 1 0.87926552 1.03260993 0.08370634 1
C C15 1 0.12472051 0.23979811 0.64009584 1
C C16 1 0.14717038 0.94441892 0.49238357 1
C C17 1 1.12242260 0.73796278 0.58244581 1
C C18 1 0.41337631 -0.02852028 1.03242943 1
C C19 1 0.72510449 0.18169181 0.18384390 1
C C20 1 0.58958264 -0.03884614 0.80229570 1
C C21 1 0.68704507 0.53957924 0.36115124 1
| -154.07805 |
1,742 | C-13671-2117-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44003000
_cell_length_b 4.18529000
_cell_length_c 6.72807000
_cell_angle_alpha 68.52662000
_cell_angle_beta 100.29293000
_cell_angle_gamma 89.94165000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 62.74464440
_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 0.09459888 0.43294279 0.44045450 1
C C1 1 -0.02820752 0.59695459 1.19961922 1
C C2 1 0.31034266 -0.05045670 0.87770451 1
C C3 1 0.63853846 0.22769707 0.53055490 1
C C4 1 0.75643990 0.06069756 0.77096025 1
C C5 1 1.11630614 0.75520306 0.47992218 1
C C6 1 0.41731324 0.70610126 1.09246213 1
C C7 1 0.62236954 0.90597087 0.49036411 1
| -154.243155 |
599 | C-157699-5650-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43944000
_cell_length_b 4.23174000
_cell_length_c 7.40680000
_cell_angle_alpha 118.79685000
_cell_angle_beta 99.52512000
_cell_angle_gamma 89.90881000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 65.81096356
_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 1.03840368 0.42172272 0.22877015 1
C C1 1 1.04538569 0.08506598 0.24516876 1
C C2 1 0.49902211 0.85122451 0.15098268 1
C C3 1 0.15972862 0.22554687 0.47616422 1
C C4 1 0.35202531 0.94886539 0.84102030 1
C C5 1 0.53291687 0.56797711 0.21532136 1
C C6 1 0.37832149 0.66490414 0.90457693 1
C C7 1 0.84638413 0.09517179 0.82755456 1
C C8 1 0.71089702 0.29109468 0.57914929 1
C C9 1 -0.16866801 0.43115871 0.81021085 1
| -154.275431 |
2,691 | C-56487-1364-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45298000
_cell_length_b 4.16010000
_cell_length_c 5.09692000
_cell_angle_alpha 74.83161000
_cell_angle_beta 104.01945000
_cell_angle_gamma 89.99926000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.59314567
_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 0.38520164 0.30214035 0.42453740 1
C C1 1 -0.06924475 0.77426068 0.50367813 1
C C2 1 0.10216979 0.58882601 0.84098298 1
C C3 1 0.89534810 0.13958549 0.44698261 1
C C4 1 0.63059164 0.38596860 0.89876649 1
C C5 1 0.36296126 0.66783184 0.36809783 1
C C6 1 0.66765085 0.05331506 0.97324619 1
C C7 1 0.19657408 0.85050758 0.03027728 1
| -154.165551 |
4,096 | C-13691-2934-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59338000
_cell_length_b 4.82517000
_cell_length_c 5.11880000
_cell_angle_alpha 118.16992000
_cell_angle_beta 80.17979000
_cell_angle_gamma 111.20910000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.94097566
_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 0.29357411 0.50172453 0.70959870 1
C C1 1 0.91138093 0.25474728 0.53715797 1
C C2 1 0.50936748 0.83062248 0.70937684 1
C C3 1 0.55534197 0.32469121 0.71897718 1
C C4 1 0.50993339 0.01039316 0.06828422 1
C C5 1 0.24651472 0.18675193 0.05992686 1
C C6 1 0.29373971 0.68130306 0.06826163 1
C C7 1 0.24606506 1.01612809 0.71901839 1
C C8 1 0.89075047 0.90475648 0.53657664 1
C C9 1 0.55570207 0.49548459 1.05962971 1
C C10 1 0.89114104 0.25825387 0.24246065 1
C C11 1 0.91168095 0.60736461 0.24195582 1
| -154.094386 |
8,385 | C-106846-6379-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26534000
_cell_length_b 3.42549000
_cell_length_c 4.54556000
_cell_angle_alpha 108.63089000
_cell_angle_beta 89.98665000
_cell_angle_gamma 90.02693000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.17944788
_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 0.56380554 0.94951352 0.88267197 1
C C1 1 0.78345617 0.14253822 0.41246121 1
C C2 1 0.06359660 0.78239031 0.24648893 1
C C3 1 0.13276235 0.44974020 0.38248971 1
C C4 1 0.28366531 0.58827854 0.71656261 1
C C5 1 0.63246736 0.28209289 0.74662393 1
C C6 1 0.41144056 0.08828631 0.21648247 1
C C7 1 0.91148641 0.64265221 0.91248257 1
| -154.188194 |
7,139 | C-102901-5226-59 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42926000
_cell_length_b 2.61016000
_cell_length_c 9.49097000
_cell_angle_alpha 106.29546000
_cell_angle_beta 68.57443000
_cell_angle_gamma 87.75043000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 53.08959207
_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 0.99136175 0.74706456 0.23256302 1
C C1 1 0.23873182 0.45801806 0.06712921 1
C C2 1 0.37122908 0.87971423 0.31372107 1
C C3 1 1.11194063 0.10035363 0.48788091 1
C C4 1 -0.14069320 0.31402275 0.98667885 1
C C5 1 0.72898195 0.90112246 0.74002165 1
C C6 1 0.99133950 0.68291623 0.56571518 1
C C7 1 0.10938086 0.03061698 0.82106201 1
| -154.117223 |
8,233 | C-56516-5203-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50053000
_cell_length_b 5.43786000
_cell_length_c 6.81888000
_cell_angle_alpha 88.97833000
_cell_angle_beta 79.86990000
_cell_angle_gamma 79.85720000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 89.83980933
_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 0.70086355 0.55353936 0.50174198 1
C C1 1 0.26809238 0.39454083 0.52848555 1
C C2 1 0.76119868 0.13662410 0.76198421 1
C C3 1 1.04768315 1.02452561 0.39390166 1
C C4 1 0.50678561 0.19108230 0.37110128 1
C C5 1 0.54801872 0.65707506 0.86853746 1
C C6 1 0.55518303 0.76483076 0.65205314 1
C C7 1 0.66015760 0.36567095 0.19237147 1
C C8 1 0.37294533 0.86023394 0.02631224 1
C C9 1 0.69189929 0.63535617 0.28863619 1
C C10 1 0.22457659 0.32632705 0.06844863 1
C C11 1 0.17513858 0.79563730 0.24211271 1
C C12 1 0.21869861 0.29452922 0.73017818 1
C C13 1 0.49336055 0.08076829 0.96903393 1
C C14 1 -0.00799127 0.92181103 0.61547258 1
C C15 1 1.12007279 0.49471634 0.88746750 1
| -154.193285 |
7,455 | C-92146-6335-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47058000
_cell_length_b 5.96722000
_cell_length_c 5.16763000
_cell_angle_alpha 145.74890000
_cell_angle_beta 89.93048000
_cell_angle_gamma 102.06216000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.84310923
_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 0.38877876 0.58687076 0.71386600 1
C C1 1 0.34796588 0.50159589 0.35551073 1
C C2 1 0.19298679 0.19003083 0.52442306 1
C C3 1 0.77650966 0.35690889 0.81562802 1
C C4 1 0.81555732 0.43934441 0.17238300 1
C C5 1 -0.02758930 0.75411612 1.00495778 1
| -154.123917 |
1,115 | C-9586-1605-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43327000
_cell_length_b 4.81739000
_cell_length_c 6.44354000
_cell_angle_alpha 40.97202000
_cell_angle_beta 67.73299000
_cell_angle_gamma 75.28548000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.76776983
_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 0.31788448 0.31882087 0.75247194 1
C C1 1 0.12202904 -0.01702352 0.11724614 1
C C2 1 0.18111781 0.54678301 0.27760519 1
C C3 1 -0.03581161 0.24253016 0.64502460 1
C C4 1 1.02450807 0.80629890 0.80559165 1
C C5 1 0.82655008 0.47016406 0.17017158 1
C C6 1 0.26634719 0.77326594 0.57938576 1
C C7 1 0.88022252 0.01590558 0.34356464 1
| -154.226845 |
5,069 | C-170918-845-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08028000
_cell_length_b 4.60182000
_cell_length_c 3.37644000
_cell_angle_alpha 66.49976000
_cell_angle_beta 79.75411000
_cell_angle_gamma 51.35947000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.18758956
_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 0.46705662 0.74982885 0.40361301 1
C C1 1 0.94319164 0.92809541 -0.03037822 1
C C2 1 0.32673693 0.60280953 0.86114316 1
C C3 1 0.07368139 0.14535814 0.08406825 1
C C4 1 0.80287196 0.78107609 0.42715193 1
C C5 1 0.64616481 0.41303740 0.23178112 1
C C6 1 0.19624718 0.38554679 0.74669669 1
C C7 1 0.62376376 1.11786753 0.59898382 1
| -154.227059 |
314 | C-193911-8410-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61259000
_cell_length_b 4.83492000
_cell_length_c 4.19814000
_cell_angle_alpha 41.90432000
_cell_angle_beta 75.57776000
_cell_angle_gamma 68.07471000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 45.38289719
_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 0.10840924 0.01527699 0.11304911 1
C C1 1 0.76180650 0.71178510 1.10521242 1
C C2 1 0.16679559 0.51946718 0.10662652 1
C C3 1 0.32263457 0.20702970 0.11325832 1
C C4 1 0.38070568 0.71127078 1.10699069 1
C C5 1 0.72761512 1.01446344 0.11469534 1
| -154.14687 |
2,213 | C-73637-6506-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42756000
_cell_length_b 4.40545000
_cell_length_c 4.87553000
_cell_angle_alpha 77.63973000
_cell_angle_beta 97.62498000
_cell_angle_gamma 112.04264000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 66.54570801
_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 0.56367000 0.94972085 0.59323657 1
C C1 1 0.48384176 0.27065442 0.49701689 1
C C2 1 0.40904835 0.37847193 0.75925858 1
C C3 1 0.21998874 0.10565889 0.99245950 1
C C4 1 0.16841606 0.62567987 0.65609517 1
C C5 1 0.75559245 0.90356673 0.35026119 1
C C6 1 1.06490977 0.53393177 0.15826154 1
C C7 1 0.87154790 0.57956206 0.40112426 1
C C8 1 0.46028758 0.85817103 0.09538802 1
C C9 1 0.84843369 0.58534208 0.87157493 1
C C10 1 1.14349973 0.21274514 0.25467433 1
C C11 1 -0.21910383 0.89883784 0.87991063 1
| -154.328348 |
4,953 | C-56495-4082-64 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45443000
_cell_length_b 3.35461000
_cell_length_c 7.56520000
_cell_angle_alpha 73.99994000
_cell_angle_beta 90.03963000
_cell_angle_gamma 111.49937000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.35853878
_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 0.18992268 0.49212451 0.68274104 1
C C1 1 0.07073811 0.25368251 0.87900495 1
C C2 1 0.81094633 0.73625389 0.59301292 1
C C3 1 0.50421922 0.12053722 0.96845872 1
C C4 1 1.05462862 0.22386148 0.53554475 1
C C5 1 0.36745633 0.84624299 0.15786480 1
C C6 1 0.67826946 0.46990111 0.44466314 1
C C7 1 0.79943115 0.71219649 0.24775698 1
| -154.196503 |
9,194 | C-170376-6835-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81542000
_cell_length_b 4.07321000
_cell_length_c 4.66874000
_cell_angle_alpha 81.39212000
_cell_angle_beta 61.81534000
_cell_angle_gamma 81.36074000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.96966887
_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 0.18909152 -0.18576442 0.84978388 1
C C1 1 0.65443717 1.16881841 0.77579741 1
C C2 1 0.82557147 0.69920644 0.40314065 1
C C3 1 0.52162905 0.98387005 0.59098478 1
C C4 1 0.15663019 0.87184167 0.14477319 1
C C5 1 0.95016535 0.41933879 0.62004649 1
C C6 1 0.95185462 0.56531855 0.88968541 1
C C7 1 0.69187509 0.51664497 0.21808273 1
C C8 1 0.39670598 0.26596687 0.37359144 1
C C9 1 0.39412237 0.12087217 0.10439021 1
| -154.083208 |
7,273 | C-136214-3679-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83749000
_cell_length_b 4.84089000
_cell_length_c 4.28891000
_cell_angle_alpha 103.40757000
_cell_angle_beta 103.05901000
_cell_angle_gamma 78.80975000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 74.65002016
_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 0.49119292 0.66941418 0.98565414 1
C C1 1 0.66766453 0.30176123 0.35624922 1
C C2 1 0.27036380 0.10897670 0.54202853 1
C C3 1 0.31402807 0.30168636 0.35582345 1
C C4 1 0.64487903 0.98601686 0.66200742 1
C C5 1 0.74424726 0.79001426 0.86264400 1
C C6 1 0.12019291 0.67006026 -0.01412575 1
C C7 1 0.89897967 0.10941423 0.54256701 1
C C8 1 0.72427943 0.48136259 0.17712794 1
C C9 1 1.07771617 0.48196405 0.17779094 1
| -154.102216 |
2,427 | C-148252-2749-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49346000
_cell_length_b 3.94499000
_cell_length_c 7.69026000
_cell_angle_alpha 90.01753000
_cell_angle_beta 90.00405000
_cell_angle_gamma 90.00354000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 75.64658261
_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 0.51298959 0.82480115 0.50723637 1
C C1 1 0.51411762 0.32909002 0.99658841 1
C C2 1 0.01392580 0.32504176 0.10184964 1
C C3 1 0.01383689 0.53498311 0.74999678 1
C C4 1 0.51255885 -0.01223491 0.33144456 1
C C5 1 0.51266838 0.62679186 0.34075086 1
C C6 1 0.01268484 0.48751845 0.27777952 1
C C7 1 0.51401636 0.62380476 0.85973439 1
C C8 1 0.01263749 0.12640710 0.26749248 1
C C9 1 1.01321425 0.82859267 0.61218164 1
C C10 1 0.51405782 0.03506457 0.85910846 1
C C11 1 1.01392561 0.12353048 0.74940069 1
| -154.124398 |
8,513 | C-148256-2422-55 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43088000
_cell_length_b 4.05884000
_cell_length_c 6.16275000
_cell_angle_alpha 109.10250000
_cell_angle_beta 91.26416000
_cell_angle_gamma 91.86552000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.39192671
_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 0.79540336 0.42608183 0.54053994 1
C C1 1 0.29531817 0.33814935 0.62168916 1
C C2 1 0.29525304 0.17402880 0.78931871 1
C C3 1 0.79542960 0.58942870 0.37280556 1
C C4 1 0.29525108 0.67429236 0.28944802 1
C C5 1 0.29531888 -0.16197809 0.12162890 1
C C6 1 0.79539257 -0.07425234 0.04037624 1
C C7 1 0.79542050 0.08897579 0.87258759 1
| -154.480226 |
2,022 | C-176685-9184-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48758000
_cell_length_b 2.48721000
_cell_length_c 6.57657000
_cell_angle_alpha 100.89622000
_cell_angle_beta 100.92085000
_cell_angle_gamma 120.02668000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.60622952
_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 0.06774412 0.83816436 0.38901200 1
C C1 1 0.31789368 0.75518714 0.97264960 1
C C2 1 0.31802757 1.08851761 0.63934987 1
C C3 1 0.31760971 0.42136278 0.30548889 1
C C4 1 0.06793438 0.50513571 0.72268283 1
C C5 1 0.06740113 0.17135599 0.05541501 1
| -154.540668 |
9,285 | C-13667-2059-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34965000
_cell_length_b 3.75087000
_cell_length_c 4.71186000
_cell_angle_alpha 93.39223000
_cell_angle_beta 88.25682000
_cell_angle_gamma 94.70028000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.87836133
_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 0.15912667 0.19022559 0.60256740 1
C C1 1 0.53639616 0.00856271 0.22161142 1
C C2 1 0.38987895 0.32081444 0.37020340 1
C C3 1 0.78282928 0.00908998 -0.01597484 1
C C4 1 0.15967338 0.82585224 0.60282043 1
C C5 1 0.92992106 0.69532859 0.83547983 1
C C6 1 -0.07172859 0.32201337 0.83395037 1
C C7 1 0.39177870 0.69418038 0.37141869 1
| -154.088018 |
549 | C-157715-9420-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82883000
_cell_length_b 4.03287000
_cell_length_c 4.82112000
_cell_angle_alpha 97.04561000
_cell_angle_beta 72.08284000
_cell_angle_gamma 60.99693000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.25991298
_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 0.16667924 0.95940125 0.35380265 1
C C1 1 0.82853777 0.30702978 1.04308071 1
C C2 1 0.78549128 0.34109276 0.35452137 1
C C3 1 0.44721247 0.68879812 0.04388777 1
C C4 1 0.22959954 0.90331614 0.85358297 1
C C5 1 0.38457559 0.74485694 0.54404503 1
| -154.098331 |
1,054 | C-107762-1536-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49083000
_cell_length_b 5.63086000
_cell_length_c 7.98475000
_cell_angle_alpha 67.34876000
_cell_angle_beta 98.98456000
_cell_angle_gamma 116.28737000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 92.64973619
_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 0.74264926 0.98712109 0.24064004 1
C C1 1 1.19641687 0.09240018 -0.06510188 1
C C2 1 0.21405652 0.28517247 0.58988303 1
C C3 1 0.29785469 0.63465554 0.05822153 1
C C4 1 0.36517335 0.85955427 0.73742791 1
C C5 1 0.51441930 -0.07914930 0.91300429 1
C C6 1 0.79683699 0.41742985 0.49081479 1
C C7 1 1.08358429 0.68826562 0.52193197 1
C C8 1 0.80358368 0.52268639 0.29400809 1
C C9 1 0.44579980 0.69547858 0.23133797 1
C C10 1 -0.06539874 -0.01504988 0.62621771 1
C C11 1 0.73734727 0.87128278 0.46300111 1
C C12 1 0.05971146 0.56031584 0.73183003 1
C C13 1 0.38991504 0.37258954 0.76789793 1
C C14 1 0.63878425 0.44809885 0.11404123 1
C C15 1 0.34001416 0.13774568 0.13291713 1
| -154.173239 |
2,661 | C-34625-2118-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48188000
_cell_length_b 6.83316000
_cell_length_c 6.35831000
_cell_angle_alpha 63.61930000
_cell_angle_beta 78.69019000
_cell_angle_gamma 79.59080000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 94.18732707
_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 -0.39078924 0.53508753 0.53322511 1
C C1 1 0.34480263 0.14168785 0.45366423 1
C C2 1 0.25191609 0.89568478 0.88614244 1
C C3 1 0.69339999 0.63960716 0.26212438 1
C C4 1 0.37293358 0.71811230 0.81836777 1
C C5 1 -0.36108337 0.28651859 0.71645921 1
C C6 1 0.21706117 0.14489056 0.70172906 1
C C7 1 -0.00137875 0.18228362 0.10564918 1
C C8 1 0.82051834 0.48042712 0.16032812 1
C C9 1 0.03658689 0.94951488 0.25978677 1
C C10 1 0.38534982 0.50264016 0.00902713 1
C C11 1 0.86270257 0.24747850 0.31327017 1
C C12 1 0.47009086 0.92733360 0.41139746 1
C C13 1 0.51672352 0.28863943 -0.03499288 1
C C14 1 0.48067404 0.71164062 0.60235738 1
C C15 1 1.17019106 0.79065212 0.15753067 1
| -154.158257 |
8,820 | C-130499-1826-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48262000
_cell_length_b 4.89856000
_cell_length_c 3.68907000
_cell_angle_alpha 113.13504000
_cell_angle_beta 70.33132000
_cell_angle_gamma 120.50968000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00738673
_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 -0.09473244 0.75270634 0.91964406 1
C C1 1 0.86612850 0.25728081 1.00844529 1
C C2 1 0.59117637 0.18145025 0.40589552 1
C C3 1 0.57468261 0.38790318 0.85176579 1
C C4 1 0.88886951 0.95917138 0.36530222 1
C C5 1 0.61494275 0.88325484 0.76236912 1
| -154.313216 |
4,963 | C-113086-7302-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41434000
_cell_length_b 3.42056000
_cell_length_c 4.88789000
_cell_angle_alpha 110.41503000
_cell_angle_beta 110.16800000
_cell_angle_gamma 89.44502000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.82133459
_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 0.22776089 0.85641573 0.37307634 1
C C1 1 0.56843130 0.51585936 0.37342494 1
C C2 1 0.66755565 0.44647147 0.87682570 1
C C3 1 0.15648598 0.95706948 0.87648639 1
C C4 1 0.92698940 0.87479641 0.53950583 1
C C5 1 0.99729306 0.77543641 1.03597490 1
C C6 1 0.48616194 0.28645637 0.03607922 1
C C7 1 0.58664069 0.21561606 0.53946099 1
| -154.125476 |
8,365 | C-126149-3704-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47546000
_cell_length_b 3.72241000
_cell_length_c 4.24799000
_cell_angle_alpha 64.03576000
_cell_angle_beta 89.99166000
_cell_angle_gamma 89.98981000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.19296699
_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 0.65837996 0.70421260 0.22193515 1
C C1 1 1.15827353 0.75053722 0.72102709 1
C C2 1 0.15833448 0.59336080 0.44319305 1
C C3 1 0.65776458 0.13926465 0.94393609 1
C C4 1 0.65824919 0.54754013 0.94383271 1
C C5 1 0.15795346 0.15867101 0.72123251 1
| -154.286995 |
3,779 | C-13909-5753-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68857000
_cell_length_b 2.48218000
_cell_length_c 4.89504000
_cell_angle_alpha 120.45332000
_cell_angle_beta 66.95395000
_cell_angle_gamma 109.67847000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00643906
_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 0.83995177 0.85040212 0.67509532 1
C C1 1 0.44186457 0.57553355 0.59953509 1
C C2 1 0.35501075 0.53538505 0.10354261 1
C C3 1 0.28565086 0.86686585 0.46858791 1
C C4 1 0.80042963 0.55124548 -0.10318582 1
C C5 1 0.19762762 0.82589335 0.97295220 1
| -154.311475 |
5,878 | C-142755-3271-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48798000
_cell_length_b 4.30450000
_cell_length_c 4.30592000
_cell_angle_alpha 70.56437000
_cell_angle_beta 89.96872000
_cell_angle_gamma 90.00054000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.48650487
_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 0.30827943 0.55349574 0.39767721 1
C C1 1 0.80819152 0.17852249 0.02277084 1
C C2 1 -0.19172057 0.05349574 0.39767721 1
C C3 1 0.30819152 0.67852249 0.02277084 1
C C4 1 0.30827943 0.05349574 -0.10232279 1
C C5 1 0.30819152 0.17852249 0.52277084 1
C C6 1 0.80819152 0.67852249 0.52277084 1
C C7 1 0.80827943 0.55349574 0.89767721 1
| -154.548084 |
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