cif
stringlengths 674
4.09k
| formula
stringlengths 1
20
| spacegroup
stringlengths 2
10
| spacegroup_number
int64 1
230
| crystal_system
stringclasses 7
values | pointgroup
stringlengths 1
5
| density
float64 91.6
41.4k
| is_longer_than_allowed
bool 2
classes |
|---|---|---|---|---|---|---|---|
[CIF]
data_Te2RhSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09096761
_cell_length_b 3.09096761
_cell_length_c 10.46595886
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te2RhSe
_chemical_formula_sum 'Te2 Rh1 Se1'
_cell_volume 99.99261628
_cell_formula_units_Z 1
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
Rh Rh0 1 1.54548381 1.54548381 5.53084135 1
Se Se1 1 0.00000000 0.00000000 6.91864696 1
Te Te2 1 1.54548381 1.54548381 10.26529001 1
Te Te3 1 0.00000000 0.00000000 3.45011883 1
[/CIF]
| RhSeTe2 | P4mm | 99 | tetragonal | 4mm | 7,258.578055 | false |
[CIF]
data_LiH3(SeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38270256
_cell_length_b 7.76371961
_cell_length_c 7.01235349
_cell_angle_alpha 90.00000000
_cell_angle_beta 122.26961640
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiH3(SeO3)2
_chemical_formula_sum 'Li2 H6 Se4 O12'
_cell_volume 247.78259168
_cell_formula_units_Z 2
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
H H0 1 1.66608897 5.95834689 5.64863558 1
H H1 1 1.02076267 3.03239444 2.26092273 1
H H2 1 2.43408689 6.68196112 0.97589096 1
H H3 1 3.53805089 1.80537272 2.68400509 1
H H4 1 -0.85119925 4.73132517 5.22555322 1
H H5 1 0.56212497 1.08175849 3.94052145 1
Li Li6 1 -1.14765162 1.91583849 5.91860254 1
Li Li7 1 0.72431030 5.84788112 2.95397205 1
O O8 1 1.14054334 3.74188312 3.05584672 1
O O9 1 0.87290524 2.18697444 1.13681063 1
O O10 1 1.83599602 6.18474534 4.66179879 1
O O11 1 -2.22974753 2.25537017 4.11597611 1
O O12 1 2.47985834 6.04370487 1.83310088 1
O O13 1 -1.50405381 7.57955937 5.83111962 1
O O14 1 3.01250526 4.02183649 0.09121623 1
O O15 1 -0.99905668 5.57674517 4.10144112 1
O O16 1 3.70795794 1.57897427 1.69716830 1
O O17 1 -0.35778561 5.50834944 1.15134562 1
O O18 1 0.60789642 1.72001474 4.79773137 1
O O19 1 0.36790811 0.18416024 2.86648913 1
Se Se20 1 1.75264101 3.07110520 4.58518539 1
Se Se21 1 -1.96880089 6.98534950 4.29555718 1
Se Se22 1 3.62460293 4.69261441 1.62055490 1
Se Se23 1 -0.09683897 0.77837011 1.33092669 1
[/CIF]
| H6Li2O12Se4 | Pc | 7 | monoclinic | m | 3,536.851171 | false |
[CIF]
data_Hf2HgBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15548320
_cell_length_b 6.15548320
_cell_length_c 5.05459622
_cell_angle_alpha 113.87365417
_cell_angle_beta 113.87365417
_cell_angle_gamma 30.69264372
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2HgBr
_chemical_formula_sum 'Hf2 Hg1 Br1'
_cell_volume 88.73130583
_cell_formula_units_Z 1
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
Br Br0 1 1.69701198 -0.00000000 3.53347440 1
Hf Hf1 1 11.72659675 -0.00000000 0.01186693 1
Hf Hf2 1 8.15178177 -0.00000000 0.96231470 1
Hg Hg3 1 4.92260733 0.00000000 2.37419868 1
[/CIF]
| BrHf2Hg | Cm | 8 | monoclinic | m | 11,929.842247 | false |
[CIF]
data_HfCo2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.81715024
_cell_length_b 2.81715024
_cell_length_c 6.54853105
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfCo2Si
_chemical_formula_sum 'Hf1 Co2 Si1'
_cell_volume 51.97133910
_cell_formula_units_Z 1
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
Co Co0 1 1.40857512 1.40857512 1.32796162 1
Co Co1 1 1.40857512 1.40857512 5.22056943 1
Hf Hf2 1 0.00000000 0.00000000 3.27426553 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Co2HfSi | P4/mmm | 123 | tetragonal | 4/mmm | 10,366.298153 | false |
[CIF]
data_Sr2TaGaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64607394
_cell_length_b 5.64607394
_cell_length_c 5.64607394
_cell_angle_alpha 120.30765770
_cell_angle_beta 120.30765770
_cell_angle_gamma 89.46794215
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2TaGaO6
_chemical_formula_sum 'Sr2 Ta1 Ga1 O6'
_cell_volume 126.67184757
_cell_formula_units_Z 1
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
Sr Sr0 1 0.00000000 2.80989900 2.00543550 1
Sr Sr1 1 2.80989900 0.00000000 2.00543550 1
Ta Ta2 1 0.00000000 0.00000000 4.01087100 1
Ga Ga3 1 0.00000000 0.00000000 0.00000000 1
O O4 1 1.22174690 1.58126223 4.01087100 1
O O5 1 1.22863677 4.03164590 -0.00000000 1
O O6 1 1.58126223 -1.22174690 4.01087100 1
O O7 1 1.58815210 1.22863677 0.00000000 1
O O8 1 -0.00000000 0.00000000 2.01234222 1
O O9 1 0.00000000 0.00000000 6.00939978 1
[/CIF]
| GaO6Sr2Ta | I4/m | 87 | tetragonal | 4/m | 6,841.673538 | false |
[CIF]
data_LiHgCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39590247
_cell_length_b 3.39590247
_cell_length_c 7.40330933
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiHgCl2
_chemical_formula_sum 'Li1 Hg1 Cl2'
_cell_volume 85.37610024
_cell_formula_units_Z 1
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
Cl Cl0 1 1.69795124 1.69795124 1.52064781 1
Cl Cl1 1 1.69795124 1.69795124 5.88266152 1
Hg Hg2 1 0.00000000 0.00000000 3.70165466 1
Li Li3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cl2HgLi | P4/mmm | 123 | tetragonal | 4/mmm | 5,415.514586 | false |
[CIF]
data_RbSc(WO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49052521
_cell_length_b 7.49052521
_cell_length_c 7.38975964
_cell_angle_alpha 118.16313795
_cell_angle_beta 118.16313795
_cell_angle_gamma 86.43869701
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbSc(WO4)2
_chemical_formula_sum 'Rb2 Sc2 W4 O16'
_cell_volume 315.29985922
_cell_formula_units_Z 2
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
Rb Rb0 1 1.86901425 -3.09008990 4.22279475 1
Rb Rb1 1 4.26208875 3.09008990 1.40759825 1
Sc Sc2 1 1.86901425 2.87660173 4.22279475 1
Sc Sc3 1 4.26208875 -2.87660173 1.40759825 1
W W4 1 -0.47756829 0.06567762 4.45468249 1
W W5 1 6.60867129 -0.06567762 1.17571051 1
W W6 1 4.21559679 0.06567762 3.99090701 1
W W7 1 1.91550621 -0.06567762 1.63948599 1
O O8 1 0.71637766 -0.70594207 3.16670193 1
O O9 1 5.41472534 0.70594207 2.46369107 1
O O10 1 3.02165084 -0.70594207 5.27888757 1
O O11 1 3.10945216 0.70594207 0.35150543 1
O O12 1 4.51505835 1.56134637 5.02787338 1
O O13 1 1.61604465 -1.56134637 0.60251962 1
O O14 1 -0.77702985 1.56134637 3.41771612 1
O O15 1 6.90813285 -1.56134637 2.21267688 1
O O16 1 1.03406918 1.17994017 5.36062398 1
O O17 1 5.09703382 -1.17994017 0.26976902 1
O O18 1 2.70395932 1.17994017 3.08496552 1
O O19 1 3.42714368 -1.17994017 2.54542748 1
O O20 1 -1.90283045 -1.00626175 3.96247353 1
O O21 1 8.03393345 1.00626175 1.66791947 1
O O22 1 5.64085895 -1.00626175 4.48311597 1
O O23 1 0.49024405 1.00626175 1.14727703 1
[/CIF]
| O16Rb2Sc2W4 | C2/c | 15 | monoclinic | 2/m | 6,594.748919 | false |
[CIF]
data_TeIr2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.80831045
_cell_length_b 3.72471373
_cell_length_c 6.79101526
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.39336043
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TeIr2Pt
_chemical_formula_sum 'Te1 Ir2 Pt1'
_cell_volume 70.97308959
_cell_formula_units_Z 1
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
Ir Ir0 1 2.45293184 1.86235686 0.37883160 1
Ir Ir1 1 1.02082434 0.00000000 1.58311073 1
Pt Pt2 1 2.34385194 1.86235686 3.11470736 1
Te Te3 1 2.18193530 0.00000000 5.10098726 1
[/CIF]
| Ir2PtTe | Pm | 6 | monoclinic | m | 16,544.257414 | false |
[CIF]
data_NiHgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49400922
_cell_length_b 6.49400922
_cell_length_c 6.49400922
_cell_angle_alpha 151.04871427
_cell_angle_beta 151.04871427
_cell_angle_gamma 41.40414932
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiHgPb
_chemical_formula_sum 'Ni1 Hg1 Pb1'
_cell_volume 64.02960394
_cell_formula_units_Z 1
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
Hg Hg0 1 0.00000000 0.00000000 11.72613091 1
Ni Ni1 1 -0.00000000 0.00000000 4.11830030 1
Pb Pb2 1 0.00000000 0.00000000 8.45436495 1
[/CIF]
| HgNiPb | I4mm | 107 | tetragonal | 4mm | 12,097.746385 | false |
[CIF]
data_Cd2BSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61343114
_cell_length_b 3.61343114
_cell_length_c 5.88919972
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd2BSe
_chemical_formula_sum 'Cd2 B1 Se1'
_cell_volume 76.89460115
_cell_formula_units_Z 1
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
B B0 1 0.00000000 0.00000000 0.00000000 1
Cd Cd1 1 1.80671557 1.80671557 1.36376398 1
Cd Cd2 1 1.80671557 1.80671557 4.52543574 1
Se Se3 1 0.00000000 0.00000000 2.94459986 1
[/CIF]
| BCd2Se | P4/mmm | 123 | tetragonal | 4/mmm | 6,793.636468 | false |
[CIF]
data_YHgP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76155056
_cell_length_b 6.76155056
_cell_length_c 6.76155056
_cell_angle_alpha 146.67606210
_cell_angle_beta 146.67606210
_cell_angle_gamma 47.84366577
_symmetry_Int_Tables_number 1
_chemical_formula_structural YHgP
_chemical_formula_sum 'Y1 Hg1 P1'
_cell_volume 92.92285336
_cell_formula_units_Z 1
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
Hg Hg0 1 0.00000000 0.00000000 12.27797424 1
P P1 1 0.00000000 0.00000000 9.49589798 1
Y Y2 1 0.00000000 -0.00000000 2.94904794 1
[/CIF]
| HgPY | I4mm | 107 | tetragonal | 4mm | 5,726.818443 | false |
[CIF]
data_SnP2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63001586
_cell_length_b 4.63001586
_cell_length_c 4.63001586
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnP2Pt
_chemical_formula_sum 'Sn1 P2 Pt1'
_cell_volume 70.18308229
_cell_formula_units_Z 1
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
P P0 1 1.63695780 1.63695780 1.63695780 1
P P1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 4.91087342 4.91087342 4.91087342 1
Sn Sn3 1 3.27391561 3.27391561 3.27391561 1
[/CIF]
| P2PtSn | F-43m | 216 | cubic | -43m | 8,890.083752 | false |
[CIF]
data_MgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12815345
_cell_length_b 3.12815345
_cell_length_c 3.94409004
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgGe
_chemical_formula_sum 'Mg1 Ge1'
_cell_volume 38.59427783
_cell_formula_units_Z 1
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
Ge Ge0 1 1.56407673 1.56407673 1.97204502 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| GeMg | P4/mmm | 123 | tetragonal | 4/mmm | 4,171.109523 | false |
[CIF]
data_In2CoGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06664141
_cell_length_b 3.06664141
_cell_length_c 8.06958069
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural In2CoGe
_chemical_formula_sum 'In2 Co1 Ge1'
_cell_volume 75.88867301
_cell_formula_units_Z 1
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
Co Co0 1 0.00000000 0.00000000 0.00000000 1
Ge Ge1 1 0.00000000 0.00000000 4.03479035 1
In In2 1 1.53332070 1.53332070 6.43294852 1
In In3 1 1.53332070 1.53332070 1.63663217 1
[/CIF]
| CoGeIn2 | P4/mmm | 123 | tetragonal | 4/mmm | 7,904.537646 | false |
[CIF]
data_Sb3Cl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32598394
_cell_length_b 4.32598394
_cell_length_c 10.75138685
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sb3Cl2
_chemical_formula_sum 'Sb3 Cl2'
_cell_volume 174.24684619
_cell_formula_units_Z 1
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
Cl Cl0 1 2.16299197 1.24880400 1.28712174 1
Cl Cl1 1 0.00000000 2.49760799 9.46426511 1
Sb Sb2 1 0.00000000 0.00000000 0.00000000 1
Sb Sb3 1 2.16299197 1.24880400 6.16709333 1
Sb Sb4 1 0.00000000 2.49760799 4.58429352 1
[/CIF]
| Cl2Sb3 | P-3m1 | 164 | trigonal | -3m | 4,156.769028 | false |
[CIF]
data_CaLaGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11642666
_cell_length_b 6.11642666
_cell_length_c 6.11642666
_cell_angle_alpha 137.92102094
_cell_angle_beta 137.92102094
_cell_angle_gamma 61.02398018
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaLaGe2
_chemical_formula_sum 'Ca1 La1 Ge2'
_cell_volume 101.63338917
_cell_formula_units_Z 1
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
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
Ge Ge1 1 2.19586634 0.00000000 2.63472091 1
Ge Ge2 1 0.00000000 -0.00000000 5.26944182 1
La La3 1 -0.00000000 2.19586634 2.63472091 1
[/CIF]
| CaGe2La | I-4m2 | 119 | tetragonal | -42m | 5,297.984887 | false |
[CIF]
data_BSbRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07506806
_cell_length_b 4.07506806
_cell_length_c 3.44300642
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BSbRh2
_chemical_formula_sum 'B1 Sb1 Rh2'
_cell_volume 57.17518330
_cell_formula_units_Z 1
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
B B0 1 0.00000000 0.00000000 0.00000000 1
Rh Rh1 1 0.00000000 2.03753403 1.72150321 1
Rh Rh2 1 2.03753403 0.00000000 1.72150321 1
Sb Sb3 1 2.03753403 2.03753403 0.00000000 1
[/CIF]
| BRh2Sb | P4/mmm | 123 | tetragonal | 4/mmm | 9,827.629717 | false |
[CIF]
data_Hg2SbPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38620603
_cell_length_b 4.30820166
_cell_length_c 6.00025959
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hg2SbPd
_chemical_formula_sum 'Hg2 Sb1 Pd1'
_cell_volume 87.53453766
_cell_formula_units_Z 1
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
Hg Hg0 1 1.69310301 2.15410083 4.60517427 1
Hg Hg1 1 1.69310301 2.15410083 1.39508532 1
Pd Pd2 1 0.00000000 0.00000000 0.00000000 1
Sb Sb3 1 0.00000000 0.00000000 3.00012979 1
[/CIF]
| Hg2PdSb | Pmmm | 47 | orthorhombic | mmm | 11,939.023098 | false |
[CIF]
data_LiZnPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63491273
_cell_length_b 4.63491273
_cell_length_c 4.63491273
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiZnPb
_chemical_formula_sum 'Li1 Zn1 Pb1'
_cell_volume 70.40600229
_cell_formula_units_Z 1
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
Li Li0 1 0.00000000 0.00000000 0.00000000 1
Pb Pb1 1 1.63868911 1.63868911 1.63868911 1
Zn Zn2 1 3.27737822 3.27737822 3.27737822 1
[/CIF]
| LiPbZn | F-43m | 216 | cubic | -43m | 6,592.556392 | false |
[CIF]
data_CdMo2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60587689
_cell_length_b 4.60587689
_cell_length_c 4.60587689
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdMo2As
_chemical_formula_sum 'Cd1 Mo2 As1'
_cell_volume 69.09107945
_cell_formula_units_Z 1
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
As As0 1 0.00000000 0.00000000 0.00000000 1
Cd Cd1 1 1.62842339 1.62842339 1.62842339 1
Mo Mo2 1 3.25684678 3.25684678 3.25684678 1
Mo Mo3 1 4.88527017 4.88527017 4.88527017 1
[/CIF]
| AsCdMo2 | F-43m | 216 | cubic | -43m | 9,114.979291 | false |
[CIF]
data_Ta2GaIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54675928
_cell_length_b 4.54675928
_cell_length_c 4.54675928
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2GaIr
_chemical_formula_sum 'Ta2 Ga1 Ir1'
_cell_volume 66.46467540
_cell_formula_units_Z 1
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
Ga Ga0 1 0.00000000 0.00000000 0.00000000 1
Ir Ir1 1 3.21504432 3.21504432 3.21504432 1
Ta Ta2 1 4.82256648 4.82256648 4.82256648 1
Ta Ta3 1 1.60752216 1.60752216 1.60752216 1
[/CIF]
| GaIrTa2 | Fm-3m | 225 | cubic | m-3m | 15,585.777625 | false |
[CIF]
data_Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18210502
_cell_length_b 4.18210502
_cell_length_c 5.12443210
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Se
_chemical_formula_sum Se3
_cell_volume 77.61867840
_cell_formula_units_Z 3
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
Se Se0 1 1.58692344 2.74863203 0.00000000 1
Se Se1 1 1.00825814 0.00000000 1.70814403 1
Se Se2 1 -0.50412907 0.87317716 3.41628807 1
[/CIF]
| Se3 | P3_121 | 152 | trigonal | 32 | 5,067.703925 | false |
[CIF]
data_AgPd2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48852382
_cell_length_b 4.48852382
_cell_length_c 4.48852382
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgPd2W
_chemical_formula_sum 'Ag1 Pd2 W1'
_cell_volume 63.94338231
_cell_formula_units_Z 1
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
Ag Ag0 1 0.00000000 0.00000000 0.00000000 1
Pd Pd1 1 4.76079845 4.76079845 4.76079845 1
Pd Pd2 1 1.58693282 1.58693282 1.58693282 1
W W3 1 3.17386563 3.17386563 3.17386563 1
[/CIF]
| AgPd2W | Fm-3m | 225 | cubic | m-3m | 13,102.559903 | false |
[CIF]
data_KVCrPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24832111
_cell_length_b 5.24832111
_cell_length_c 5.24832111
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KVCrPb
_chemical_formula_sum 'K1 V1 Cr1 Pb1'
_cell_volume 102.22242977
_cell_formula_units_Z 1
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
Cr Cr0 1 3.71112345 3.71112345 3.71112345 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Pb Pb2 1 5.56668517 5.56668518 5.56668518 1
V V3 1 1.85556172 1.85556172 1.85556172 1
[/CIF]
| CrKPbV | F-43m | 216 | cubic | -43m | 5,673.117502 | false |
[CIF]
data_LaBeSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82563176
_cell_length_b 4.82563176
_cell_length_c 3.71358552
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaBeSe2
_chemical_formula_sum 'La1 Be1 Se2'
_cell_volume 86.47723323
_cell_formula_units_Z 1
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
Be Be0 1 0.00000000 0.00000000 0.00000000 1
La La1 1 2.41281588 2.41281588 0.00000000 1
Se Se2 1 2.41281588 0.00000000 1.85679276 1
Se Se3 1 0.00000000 2.41281588 1.85679276 1
[/CIF]
| BeLaSe2 | P4/mmm | 123 | tetragonal | 4/mmm | 5,872.706113 | false |
[CIF]
data_SnBTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41157020
_cell_length_b 6.41157020
_cell_length_c 6.41157020
_cell_angle_alpha 149.89999139
_cell_angle_beta 149.89999139
_cell_angle_gamma 43.08822434
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnBTe
_chemical_formula_sum 'Sn1 B1 Te1'
_cell_volume 66.11741460
_cell_formula_units_Z 1
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
B B0 1 0.00000000 -0.00000000 0.28646913 1
Sn Sn1 1 0.00000000 -0.00000000 4.37416699 1
Te Te2 1 0.00000000 -0.00000000 7.26661715 1
[/CIF]
| BSnTe | I4mm | 107 | tetragonal | 4mm | 6,457.595471 | false |
[CIF]
data_Mg2ZnTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81613997
_cell_length_b 4.81613997
_cell_length_c 3.90820566
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2ZnTe
_chemical_formula_sum 'Mg2 Zn1 Te1'
_cell_volume 90.65162838
_cell_formula_units_Z 1
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
Mg Mg0 1 0.00000000 2.40806999 1.95410283 1
Mg Mg1 1 2.40806999 0.00000000 1.95410283 1
Te Te2 1 2.40806999 2.40806999 0.00000000 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Mg2TeZn | P4/mmm | 123 | tetragonal | 4/mmm | 4,425.399083 | false |
[CIF]
data_LaZrCoRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68082548
_cell_length_b 4.68082548
_cell_length_c 4.68082548
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaZrCoRu
_chemical_formula_sum 'La1 Zr1 Co1 Ru1'
_cell_volume 72.51909076
_cell_formula_units_Z 1
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
Co Co0 1 0.00000000 0.00000000 0.00000000 1
La La1 1 4.96476516 4.96476516 4.96476516 1
Ru Ru2 1 1.65492172 1.65492172 1.65492172 1
Zr Zr3 1 3.30984344 3.30984344 3.30984344 1
[/CIF]
| CoLaRuZr | F-43m | 216 | cubic | -43m | 8,933.241227 | false |
[CIF]
data_InRuPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90405902
_cell_length_b 2.90405902
_cell_length_c 7.75123441
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural InRuPt2
_chemical_formula_sum 'In1 Ru1 Pt2'
_cell_volume 65.37049104
_cell_formula_units_Z 1
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
In In0 1 1.45202951 1.45202951 5.78605271 1
Pt Pt1 1 0.00000000 0.00000000 0.03411822 1
Pt Pt2 1 1.45202951 1.45202951 2.03506946 1
Ru Ru3 1 0.00000000 0.00000000 3.77161122 1
[/CIF]
| InPt2Ru | P4mm | 99 | tetragonal | 4mm | 15,395.21973 | false |
[CIF]
data_LiYInNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76912643
_cell_length_b 4.76912643
_cell_length_c 4.76912643
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiYInNi
_chemical_formula_sum 'Li1 Y1 In1 Ni1'
_cell_volume 76.70108543
_cell_formula_units_Z 1
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
In In0 1 3.37228164 3.37228164 3.37228164 1
Li Li1 1 -0.00000000 -0.00000000 0.00000000 1
Ni Ni2 1 5.05842246 5.05842246 5.05842246 1
Y Y3 1 1.68614082 1.68614082 1.68614082 1
[/CIF]
| InLiNiY | F-43m | 216 | cubic | -43m | 5,831.467632 | false |
[CIF]
data_InCoNiW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34082828
_cell_length_b 4.34082828
_cell_length_c 4.34082828
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural InCoNiW
_chemical_formula_sum 'In1 Co1 Ni1 W1'
_cell_volume 57.83660852
_cell_formula_units_Z 1
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
Co Co0 1 0.00000000 0.00000000 0.00000000 1
In In1 1 3.06942911 3.06942911 3.06942911 1
Ni Ni2 1 1.53471456 1.53471456 1.53471456 1
W W3 1 4.60414367 4.60414367 4.60414367 1
[/CIF]
| CoInNiW | F-43m | 216 | cubic | -43m | 11,951.890862 | false |
[CIF]
data_Ta2GaAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17103287
_cell_length_b 5.17103287
_cell_length_c 5.17103287
_cell_angle_alpha 135.62210483
_cell_angle_beta 133.70909218
_cell_angle_gamma 66.06251197
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2GaAg
_chemical_formula_sum 'Ta2 Ga1 Ag1'
_cell_volume 68.83338009
_cell_formula_units_Z 1
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
Ag Ag0 1 -0.00000000 0.00000000 4.33525606 1
Ga Ga1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 -0.00000000 2.03256086 2.19677101 1
Ta Ta3 1 1.95290354 -0.00000000 2.13848505 1
[/CIF]
| AgGaTa2 | Immm | 71 | orthorhombic | mmm | 13,014.603842 | false |
[CIF]
data_Ir2PdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.79671857
_cell_length_b 2.79671857
_cell_length_c 7.98162246
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ir2PdAu
_chemical_formula_sum 'Ir2 Pd1 Au1'
_cell_volume 62.42933567
_cell_formula_units_Z 1
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
Au Au0 1 1.39835928 1.39835928 6.00554937 1
Ir Ir1 1 0.00000000 0.00000000 0.15870419 1
Ir Ir2 1 1.39835928 1.39835928 1.92646571 1
Pd Pd3 1 0.00000000 0.00000000 3.88171442 1
[/CIF]
| AuIr2Pd | P4mm | 99 | tetragonal | 4mm | 18,295.131821 | false |
[CIF]
data_VZnInFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32728759
_cell_length_b 4.32728759
_cell_length_c 4.32728759
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VZnInFe
_chemical_formula_sum 'V1 Zn1 In1 Fe1'
_cell_volume 57.29705212
_cell_formula_units_Z 1
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
V V0 1 0.00000000 0.00000000 0.00000000 1
Fe Fe1 1 4.58978159 4.58978159 4.58978159 1
In In2 1 3.05985440 3.05985440 3.05985440 1
Zn Zn3 1 1.52992720 1.52992720 1.52992720 1
[/CIF]
| FeInVZn | F-43m | 216 | cubic | -43m | 8,317.163905 | false |
[CIF]
data_Os2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50372921
_cell_length_b 4.50372921
_cell_length_c 2.62394586
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Os2Pd
_chemical_formula_sum 'Os2 Pd1'
_cell_volume 53.22300736
_cell_formula_units_Z 1
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
Os Os0 1 0.00000000 2.25186461 1.31197293 1
Os Os1 1 2.25186461 0.00000000 1.31197293 1
Pd Pd2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Os2Pd | P4/mmm | 123 | tetragonal | 4/mmm | 15,190.484357 | false |
[CIF]
data_SrMg2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63400488
_cell_length_b 4.63400488
_cell_length_c 5.54334024
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMg2Br
_chemical_formula_sum 'Sr1 Mg2 Br1'
_cell_volume 119.03769512
_cell_formula_units_Z 1
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
Br Br0 1 0.00000000 0.00000000 0.00000000 1
Mg Mg1 1 0.00000000 2.31700244 2.77167012 1
Mg Mg2 1 2.31700244 0.00000000 2.77167012 1
Sr Sr3 1 2.31700244 2.31700244 0.00000000 1
[/CIF]
| BrMg2Sr | P4/mmm | 123 | tetragonal | 4/mmm | 3,015.002519 | false |
[CIF]
data_Zn2BTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27582987
_cell_length_b 5.27582987
_cell_length_c 5.27582987
_cell_angle_alpha 142.99548253
_cell_angle_beta 105.71179233
_cell_angle_gamma 86.02124171
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn2BTe
_chemical_formula_sum 'Zn2 B1 Te1'
_cell_volume 82.30402665
_cell_formula_units_Z 1
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
B B0 1 0.00000000 -0.00000000 3.80291128 1
Te Te1 1 -0.00000000 3.18566085 1.44638389 1
Zn Zn2 1 -0.00000000 0.00000000 0.22155329 1
Zn Zn3 1 1.67424262 -0.00000000 2.24481287 1
[/CIF]
| BTeZn2 | Imm2 | 44 | orthorhombic | mm2 | 5,430.705875 | false |
[CIF]
data_YCrFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92281771
_cell_length_b 2.92281771
_cell_length_c 6.74833194
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YCrFe2
_chemical_formula_sum 'Y1 Cr1 Fe2'
_cell_volume 57.65007771
_cell_formula_units_Z 1
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
Cr Cr0 1 0.00000000 0.00000000 0.00000000 1
Fe Fe1 1 1.46140886 1.46140886 1.26065366 1
Fe Fe2 1 1.46140886 1.46140886 5.48767828 1
Y Y3 1 0.00000000 0.00000000 3.37416597 1
[/CIF]
| CrFe2Y | P4/mmm | 123 | tetragonal | 4/mmm | 7,275.598187 | false |
[CIF]
data_BeFe2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.00859952
_cell_length_b 3.75434757
_cell_length_c 4.01665287
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeFe2Os
_chemical_formula_sum 'Be1 Fe2 Os1'
_cell_volume 45.36941282
_cell_formula_units_Z 1
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
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Fe Fe1 1 0.00000000 1.87717379 2.00832643 1
Fe Fe2 1 1.50429976 0.00000000 2.00832643 1
Os Os3 1 1.50429976 1.87717379 0.00000000 1
[/CIF]
| BeFe2Os | Pmmm | 47 | orthorhombic | mmm | 11,380.245041 | false |
[CIF]
data_Zn4In3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22517634
_cell_length_b 6.22517634
_cell_length_c 4.75005163
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn4In3
_chemical_formula_sum 'Zn4 In3'
_cell_volume 159.41613588
_cell_formula_units_Z 1
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
In In0 1 1.55629408 2.69558043 2.37502581 1
In In1 1 3.11258817 0.00000000 2.37502581 1
In In2 1 -1.55629408 2.69558043 2.37502581 1
Zn Zn3 1 0.00000000 0.00000000 3.57463501 1
Zn Zn4 1 0.00000000 0.00000000 1.17541662 1
Zn Zn5 1 -0.00000000 3.59410723 0.00000000 1
Zn Zn6 1 3.11258817 1.79705362 0.00000000 1
[/CIF]
| In3Zn4 | P6/mmm | 191 | hexagonal | 6/mmm | 6,312.05552 | false |
[CIF]
data_YBeCrAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68412450
_cell_length_b 4.68412450
_cell_length_c 4.68412450
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YBeCrAg
_chemical_formula_sum 'Y1 Be1 Cr1 Ag1'
_cell_volume 72.67253206
_cell_formula_units_Z 1
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
Ag Ag0 1 1.65608810 1.65608810 1.65608810 1
Be Be1 1 0.00000000 0.00000000 0.00000000 1
Cr Cr2 1 4.96826430 4.96826430 4.96826430 1
Y Y3 1 3.31217620 3.31217620 3.31217620 1
[/CIF]
| AgBeCrY | F-43m | 216 | cubic | -43m | 5,890.225933 | false |
[CIF]
data_BeTc2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80993922
_cell_length_b 4.80993922
_cell_length_c 2.88828479
_cell_angle_alpha 105.10419164
_cell_angle_beta 105.10419164
_cell_angle_gamma 109.40350852
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeTc2Se
_chemical_formula_sum 'Be1 Tc2 Se1'
_cell_volume 56.25428065
_cell_formula_units_Z 1
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
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Se Se1 1 2.77933986 -0.00000000 0.00000000 1
Tc Tc2 1 0.73843014 -1.96282865 1.28896625 1
Tc Tc3 1 0.73843014 1.96282865 1.28896625 1
[/CIF]
| BeSeTc2 | C2/m | 12 | monoclinic | 2/m | 8,435.917366 | false |
[CIF]
data_Fe4MoRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70620889
_cell_length_b 4.70620889
_cell_length_c 4.70620889
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe4MoRh
_chemical_formula_sum 'Fe4 Mo1 Rh1'
_cell_volume 73.70528026
_cell_formula_units_Z 1
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
Fe Fe0 1 4.15902174 2.49656270 4.15902174 1
Fe Fe1 1 2.49656270 4.15902174 4.15902174 1
Fe Fe2 1 2.49656270 2.49656270 2.49656270 1
Fe Fe3 1 4.15902174 4.15902174 2.49656270 1
Mo Mo4 1 0.00000000 0.00000000 0.00000000 1
Rh Rh5 1 4.99168833 4.99168833 4.99168833 1
[/CIF]
| Fe4MoRh | F-43m | 216 | cubic | -43m | 9,512.956819 | false |
[CIF]
data_TlCr2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.00633300
_cell_length_b 3.00633300
_cell_length_c 7.39048107
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlCr2Au
_chemical_formula_sum 'Tl1 Cr2 Au1'
_cell_volume 66.79544954
_cell_formula_units_Z 1
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
Au Au0 1 0.00000000 0.00000000 5.88529076 1
Cr Cr1 1 1.50316650 1.50316650 0.34213375 1
Cr Cr2 1 0.00000000 0.00000000 1.36670444 1
Tl Tl3 1 1.50316650 1.50316650 3.49159265 1
[/CIF]
| AuCr2Tl | P4mm | 99 | tetragonal | 4mm | 12,562.835543 | false |
[CIF]
data_Hg2SbCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63669026
_cell_length_b 3.63669026
_cell_length_c 8.90309825
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 113.95952983
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hg2SbCl
_chemical_formula_sum 'Hg2 Sb1 Cl1'
_cell_volume 107.60201479
_cell_formula_units_Z 1
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
Cl Cl0 1 0.00000000 0.00000000 0.00000000 1
Hg Hg1 1 1.98176051 -0.00000000 2.13489512 1
Hg Hg2 1 1.98176051 -0.00000000 6.76820313 1
Sb Sb3 1 0.00000000 0.00000000 4.45154912 1
[/CIF]
| ClHg2Sb | Cmmm | 65 | orthorhombic | mmm | 8,617.249341 | false |
[CIF]
data_ScFe2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96060439
_cell_length_b 2.96060439
_cell_length_c 5.87282380
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScFe2Si
_chemical_formula_sum 'Sc1 Fe2 Si1'
_cell_volume 51.47634788
_cell_formula_units_Z 1
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
Fe Fe0 1 1.48030219 1.48030219 1.25914576 1
Fe Fe1 1 1.48030219 1.48030219 4.61367804 1
Sc Sc2 1 0.00000000 0.00000000 2.93641190 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Fe2ScSi | P4/mmm | 123 | tetragonal | 4/mmm | 5,959.152314 | false |
[CIF]
data_LaBe2Cr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.80020811
_cell_length_b 2.80020811
_cell_length_c 7.52441274
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaBe2Cr
_chemical_formula_sum 'La1 Be2 Cr1'
_cell_volume 59.00016530
_cell_formula_units_Z 1
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
Be Be0 1 0.00000000 0.00000000 0.67320206 1
Be Be1 1 1.40010406 1.40010406 1.70943582 1
Cr Cr2 1 0.00000000 0.00000000 3.16386025 1
La La3 1 1.40010406 1.40010406 5.74012106 1
[/CIF]
| Be2CrLa | P4mm | 99 | tetragonal | 4mm | 5,880.287673 | false |
[CIF]
data_NaTiNb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71966046
_cell_length_b 4.71966046
_cell_length_c 4.71966046
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaTiNb2
_chemical_formula_sum 'Na1 Ti1 Nb2'
_cell_volume 74.33909487
_cell_formula_units_Z 1
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
Na Na0 1 0.00000000 0.00000000 0.00000000 1
Nb Nb1 1 5.00595587 5.00595587 5.00595587 1
Nb Nb2 1 3.33730391 3.33730391 3.33730391 1
Ti Ti3 1 1.66865196 1.66865196 1.66865196 1
[/CIF]
| NaNb2Ti | F-43m | 216 | cubic | -43m | 5,733.5158 | false |
[CIF]
data_Cr2HgBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48081887
_cell_length_b 3.48081887
_cell_length_c 6.95478879
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr2HgBi
_chemical_formula_sum 'Cr2 Hg1 Bi1'
_cell_volume 84.26491650
_cell_formula_units_Z 1
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
Bi Bi0 1 0.00000000 0.00000000 3.47739440 1
Cr Cr1 1 1.74040944 1.74040944 5.35765368 1
Cr Cr2 1 1.74040944 1.74040944 1.59713511 1
Hg Hg3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BiCr2Hg | P4/mmm | 123 | tetragonal | 4/mmm | 10,120.353712 | false |
[CIF]
data_NaTiCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80472446
_cell_length_b 4.80472446
_cell_length_c 2.55706517
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaTiCu
_chemical_formula_sum 'Na1 Ti1 Cu1'
_cell_volume 51.12218436
_cell_formula_units_Z 1
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
Cu Cu0 1 2.40236225 1.38700447 0.09266377 1
Na Na1 1 0.00000000 0.00000000 0.81228643 1
Ti Ti2 1 0.00000002 2.77400895 1.65211497 1
[/CIF]
| CuNaTi | P3m1 | 156 | trigonal | 3m | 4,365.639924 | false |
[CIF]
data_Zr2Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10587428
_cell_length_b 6.10587428
_cell_length_c 6.10587428
_cell_angle_alpha 148.65557190
_cell_angle_beta 148.65557190
_cell_angle_gamma 44.91853454
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2Zn
_chemical_formula_sum 'Zr2 Zn1'
_cell_volume 61.40499850
_cell_formula_units_Z 1
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
Zn Zn0 1 0.00000000 0.00000000 0.00000000 1
Zr Zr1 1 0.00000000 0.00000000 3.87678195 1
Zr Zr2 1 -0.00000000 0.00000000 7.40872205 1
[/CIF]
| ZnZr2 | I4/mmm | 139 | tetragonal | 4/mmm | 6,701.866068 | false |
[CIF]
data_BaTlIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06801873
_cell_length_b 3.95070039
_cell_length_c 7.88307631
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaTlIr2
_chemical_formula_sum 'Ba1 Tl1 Ir2'
_cell_volume 95.54937102
_cell_formula_units_Z 1
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
Ba Ba0 1 0.00000000 0.00000000 6.21791573 1
Ir Ir1 1 1.53400936 1.97535020 0.64384994 1
Ir Ir2 1 0.00000000 0.00000000 1.48255968 1
Tl Tl3 1 1.53400936 1.97535020 3.48028911 1
[/CIF]
| BaIr2Tl | Pmm2 | 25 | orthorhombic | mm2 | 12,619.559556 | false |
[CIF]
data_Al2SiRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28564957
_cell_length_b 4.28564957
_cell_length_c 3.06045414
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al2SiRu
_chemical_formula_sum 'Al2 Si1 Ru1'
_cell_volume 56.21072534
_cell_formula_units_Z 1
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
Al Al0 1 0.00000000 2.14282479 1.53022707 1
Al Al1 1 2.14282479 0.00000000 1.53022707 1
Ru Ru2 1 2.14282479 2.14282479 0.00000000 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Al2RuSi | P4/mmm | 123 | tetragonal | 4/mmm | 5,409.564624 | false |
[CIF]
data_AgBOs4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14980751
_cell_length_b 5.14980751
_cell_length_c 5.14980751
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgBOs4
_chemical_formula_sum 'Ag1 B1 Os4'
_cell_volume 96.57350419
_cell_formula_units_Z 1
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
Ag Ag0 1 5.46219572 5.46219572 5.46219572 1
B B1 1 0.00000000 0.00000000 0.00000000 1
Os Os2 1 4.55410497 4.55410497 2.72882265 1
Os Os3 1 4.55410497 2.72882265 4.55410497 1
Os Os4 1 2.72882265 4.55410497 4.55410497 1
Os Os5 1 2.72882265 2.72882265 2.72882265 1
[/CIF]
| AgBOs4 | F-43m | 216 | cubic | -43m | 15,124.322627 | false |
[CIF]
data_ZnB3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94906495
_cell_length_b 3.94906495
_cell_length_c 3.94906495
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnB3Pt
_chemical_formula_sum 'Zn1 B3 Pt1'
_cell_volume 61.58611801
_cell_formula_units_Z 1
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
Zn Zn0 1 0.00000000 0.00000000 0.00000000 1
B B1 1 0.00000000 1.97453247 0.00000000 1
B B2 1 0.00000000 0.00000000 1.97453247 1
B B3 1 1.97453247 0.00000000 0.00000000 1
Pt Pt4 1 1.97453247 1.97453247 1.97453247 1
[/CIF]
| B3PtZn | Pm-3m | 221 | cubic | m-3m | 7,897.346459 | false |
[CIF]
data_K2CrSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.30850824
_cell_length_b 6.30850824
_cell_length_c 6.30850824
_cell_angle_alpha 139.20825021
_cell_angle_beta 139.20825021
_cell_angle_gamma 59.05745465
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2CrSi
_chemical_formula_sum 'K2 Cr1 Si1'
_cell_volume 106.12811843
_cell_formula_units_Z 1
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
Cr Cr0 1 0.00000000 0.00000000 5.48908785 1
K K1 1 0.00000000 2.19854392 2.74454392 1
K K2 1 2.19854392 0.00000000 2.74454393 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CrK2Si | I4/mmm | 139 | tetragonal | 4/mmm | 2,476.508002 | false |
[CIF]
data_Np2BeSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74441214
_cell_length_b 4.74441214
_cell_length_c 4.74441214
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Np2BeSi
_chemical_formula_sum 'Np2 Be1 Si1'
_cell_volume 75.51482649
_cell_formula_units_Z 1
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
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Np Np1 1 5.03220900 5.03220900 5.03220900 1
Np Np2 1 1.67740300 1.67740300 1.67740300 1
Si Si3 1 3.35480600 3.35480600 3.35480600 1
[/CIF]
| BeNp2Si | Fm-3m | 225 | cubic | m-3m | 11,238.821662 | false |
[CIF]
data_CaTcNiAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67443902
_cell_length_b 4.67443902
_cell_length_c 4.67443902
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaTcNiAg
_chemical_formula_sum 'Ca1 Tc1 Ni1 Ag1'
_cell_volume 72.22266309
_cell_formula_units_Z 1
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
Ag Ag0 1 4.95799130 4.95799130 4.95799130 1
Ca Ca1 1 0.00000000 0.00000000 0.00000000 1
Ni Ni2 1 1.65266377 1.65266377 1.65266376 1
Tc Tc3 1 3.30532753 3.30532753 3.30532753 1
[/CIF]
| AgCaNiTc | F-43m | 216 | cubic | -43m | 7,025.090406 | false |
[CIF]
data_YScCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50119086
_cell_length_b 4.48694202
_cell_length_c 5.12496859
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.35929067
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YScCu2
_chemical_formula_sum 'Y1 Sc1 Cu2'
_cell_volume 79.19903594
_cell_formula_units_Z 1
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
Cu Cu0 1 2.01563259 0.00000000 4.88573314 1
Cu Cu1 1 2.91426073 2.24347101 1.48388931 1
Sc Sc2 1 1.32947939 0.00000000 1.97147857 1
Y Y3 1 0.18967151 2.24347101 4.26247136 1
[/CIF]
| Cu2ScY | Pm | 6 | monoclinic | m | 5,471.32817 | false |
[CIF]
data_Li2RuSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22563388
_cell_length_b 3.22563388
_cell_length_c 5.80295975
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2RuSe
_chemical_formula_sum 'Li2 Ru1 Se1'
_cell_volume 60.37813613
_cell_formula_units_Z 1
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
Li Li0 1 1.61281694 1.61281694 5.76289652 1
Li Li1 1 0.00000000 0.00000000 1.53073409 1
Ru Ru2 1 1.61281694 1.61281694 3.02039221 1
Se Se3 1 0.00000000 0.00000000 4.19337661 1
[/CIF]
| Li2RuSe | P4mm | 99 | tetragonal | 4mm | 5,333.030665 | false |
[CIF]
data_SbTe2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61115679
_cell_length_b 3.61115679
_cell_length_c 7.40750880
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SbTe2Pd
_chemical_formula_sum 'Sb1 Te2 Pd1'
_cell_volume 96.59727303
_cell_formula_units_Z 1
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
Pd Pd0 1 0.00000000 0.00000000 0.00000000 1
Sb Sb1 1 0.00000000 0.00000000 3.70375440 1
Te Te2 1 1.80557839 1.80557839 5.77248975 1
Te Te3 1 1.80557839 1.80557839 1.63501905 1
[/CIF]
| PdSbTe2 | P4/mmm | 123 | tetragonal | 4/mmm | 8,309.462046 | false |
[CIF]
data_SrCrRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55524073
_cell_length_b 4.55524073
_cell_length_c 4.55524073
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrCrRu2
_chemical_formula_sum 'Sr1 Cr1 Ru2'
_cell_volume 66.83731594
_cell_formula_units_Z 1
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
Cr Cr0 1 0.00000000 -0.00000000 0.00000000 1
Ru Ru1 1 3.22104161 3.22104161 3.22104161 1
Ru Ru2 1 1.61052081 1.61052081 1.61052081 1
Sr Sr3 1 4.83156242 4.83156242 4.83156242 1
[/CIF]
| CrRu2Sr | F-43m | 216 | cubic | -43m | 8,490.756209 | false |
[CIF]
data_LiBeFeAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19653993
_cell_length_b 4.19653993
_cell_length_c 4.19653993
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiBeFeAu
_chemical_formula_sum 'Li1 Be1 Fe1 Au1'
_cell_volume 52.25875760
_cell_formula_units_Z 1
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
Au Au0 1 1.48370092 1.48370092 1.48370092 1
Be Be1 1 4.45110276 4.45110276 4.45110276 1
Fe Fe2 1 2.96740184 2.96740184 2.96740184 1
Li Li3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuBeFeLi | F-43m | 216 | cubic | -43m | 8,540.087619 | false |
[CIF]
data_Li2PrNb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84058845
_cell_length_b 4.84058845
_cell_length_c 4.84058845
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2PrNb
_chemical_formula_sum 'Li2 Pr1 Nb1'
_cell_volume 80.20094435
_cell_formula_units_Z 1
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
Li Li0 1 5.13421937 5.13421937 5.13421937 1
Li Li1 1 1.71140646 1.71140646 1.71140646 1
Nb Nb2 1 0.00000000 0.00000000 0.00000000 1
Pr Pr3 1 3.42281292 3.42281292 3.42281292 1
[/CIF]
| Li2NbPr | Fm-3m | 225 | cubic | m-3m | 5,128.479942 | false |
[CIF]
data_LiCuNiHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29510780
_cell_length_b 4.29510780
_cell_length_c 4.29510780
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiCuNiHg
_chemical_formula_sum 'Li1 Cu1 Ni1 Hg1'
_cell_volume 56.02826921
_cell_formula_units_Z 1
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
Cu Cu0 1 3.03709985 3.03709985 3.03709985 1
Hg Hg1 1 1.51854992 1.51854992 1.51854993 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Ni Ni3 1 4.55564977 4.55564978 4.55564978 1
[/CIF]
| CuHgLiNi | F-43m | 216 | cubic | -43m | 9,773.577516 | false |
[CIF]
data_CaMgIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60988841
_cell_length_b 4.60988841
_cell_length_c 3.29401508
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaMgIr2
_chemical_formula_sum 'Ca1 Mg1 Ir2'
_cell_volume 70.00134884
_cell_formula_units_Z 1
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
Ca Ca0 1 2.30494420 2.30494420 0.00000000 1
Ir Ir1 1 2.30494420 0.00000000 1.64700754 1
Ir Ir2 1 0.00000000 2.30494420 1.64700754 1
Mg Mg3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CaIr2Mg | P4/mmm | 123 | tetragonal | 4/mmm | 10,646.625738 | false |
[CIF]
data_K2LaAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94247203
_cell_length_b 4.94247203
_cell_length_c 6.24647956
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2LaAs
_chemical_formula_sum 'K2 La1 As1'
_cell_volume 152.58918863
_cell_formula_units_Z 1
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
As As0 1 0.00000000 0.00000000 0.00000000 1
K K1 1 2.47123602 2.47123602 1.38957541 1
K K2 1 2.47123602 2.47123602 4.85690415 1
La La3 1 0.00000000 0.00000000 3.12323978 1
[/CIF]
| AsK2La | P4/mmm | 123 | tetragonal | 4/mmm | 3,178.196965 | false |
[CIF]
data_Tl4HgB6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05510742
_cell_length_b 8.05510742
_cell_length_c 6.97199497
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl4HgB6
_chemical_formula_sum 'Tl8 Hg2 B12'
_cell_volume 452.37618931
_cell_formula_units_Z 2
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
B B0 1 0.00000000 0.00000000 2.20814006 1
B B1 1 4.02755371 4.02755371 1.27785743 1
B B2 1 0.00000000 0.00000000 4.76385491 1
B B3 1 4.02755371 4.02755371 5.69413754 1
B B4 1 4.62846875 2.97425755 0.00000000 1
B B5 1 3.42663867 5.08084987 0.00000000 1
B B6 1 5.08084987 4.62846875 0.00000000 1
B B7 1 2.97425755 3.42663867 0.00000000 1
B B8 1 7.45419238 7.00181126 3.48599749 1
B B9 1 0.60091504 1.05329616 3.48599749 1
B B10 1 7.00181126 0.60091504 3.48599749 1
B B11 1 1.05329616 7.45419238 3.48599749 1
Hg Hg12 1 0.00000000 0.00000000 0.00000000 1
Hg Hg13 1 4.02755371 4.02755371 3.48599749 1
Tl Tl14 1 1.11519104 2.91236267 1.74299874 1
Tl Tl15 1 6.93991638 5.14274475 1.74299874 1
Tl Tl16 1 5.14274475 1.11519104 1.74299874 1
Tl Tl17 1 2.91236267 6.93991638 1.74299874 1
Tl Tl18 1 6.93991638 5.14274475 5.22899623 1
Tl Tl19 1 1.11519104 2.91236267 5.22899623 1
Tl Tl20 1 2.91236267 6.93991638 5.22899623 1
Tl Tl21 1 5.14274475 1.11519104 5.22899623 1
[/CIF]
| B12Hg2Tl8 | P4/mnc | 128 | tetragonal | 4/mmm | 7,950.665476 | false |
[CIF]
data_AlRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31625757
_cell_length_b 4.31625757
_cell_length_c 4.31625757
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlRh3
_chemical_formula_sum 'Al1 Rh3'
_cell_volume 56.86002712
_cell_formula_units_Z 1
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
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Rh Rh1 1 1.52602750 1.52602750 1.52602750 1
Rh Rh2 1 4.57808250 4.57808250 4.57808250 1
Rh Rh3 1 3.05205500 3.05205500 3.05205500 1
[/CIF]
| AlRh3 | Fm-3m | 225 | cubic | m-3m | 9,803.718638 | false |
[CIF]
data_Hg2BiTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.40699638
_cell_length_b 8.40699638
_cell_length_c 8.40699638
_cell_angle_alpha 28.98948404
_cell_angle_beta 28.98948404
_cell_angle_gamma 28.98948404
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hg2BiTe
_chemical_formula_sum 'Hg2 Bi1 Te1'
_cell_volume 123.44227661
_cell_formula_units_Z 1
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
Bi Bi0 1 -0.00000000 -0.00000000 6.00142437 1
Hg Hg1 1 -0.00000000 -0.00000000 0.10112501 1
Hg Hg2 1 0.00000000 0.00000000 17.98840353 1
Te Te3 1 0.00000000 0.00000000 12.12609754 1
[/CIF]
| BiHg2Te | R3m | 160 | trigonal | 3m | 9,924.31442 | false |
[CIF]
data_TiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64305050
_cell_length_b 3.55778738
_cell_length_c 7.98443674
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiS2
_chemical_formula_sum 'Ti4 S8'
_cell_volume 188.70865882
_cell_formula_units_Z 4
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
S S0 1 0.16027763 2.66834053 5.19169255 1
S S1 1 3.16124763 0.88944684 1.19947418 1
S S2 1 3.48180288 2.66834053 6.78496255 1
S S3 1 6.48277288 0.88944684 2.79274418 1
S S4 1 2.42781762 0.88944684 4.67153255 1
S S5 1 0.89370763 2.66834053 0.67931418 1
S S6 1 5.74934287 0.88944684 7.30512255 1
S S7 1 4.21523288 2.66834053 3.31290418 1
Ti Ti8 1 1.62951762 0.88944684 7.07803255 1
Ti Ti9 1 1.69200763 2.66834053 3.08581418 1
Ti Ti10 1 4.95104288 0.88944684 4.89862255 1
Ti Ti11 1 5.01353288 2.66834053 0.90640418 1
[/CIF]
| S8Ti4 | Pnma | 62 | orthorhombic | mmm | 3,942.063814 | false |
[CIF]
data_YCdRuPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98199285
_cell_length_b 4.98199285
_cell_length_c 4.98199285
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YCdRuPb
_chemical_formula_sum 'Y1 Cd1 Ru1 Pb1'
_cell_volume 87.43680959
_cell_formula_units_Z 1
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
Cd Cd0 1 5.28420140 5.28420140 5.28420140 1
Pb Pb1 1 3.52280093 3.52280093 3.52280093 1
Ru Ru2 1 1.76140047 1.76140047 1.76140047 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CdPbRuY | F-43m | 216 | cubic | -43m | 9,677.718986 | false |
[CIF]
data_Cd2CuPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88312869
_cell_length_b 4.88312869
_cell_length_c 5.09763718
_cell_angle_alpha 100.25635404
_cell_angle_beta 100.25635404
_cell_angle_gamma 35.27549693
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd2CuPt
_chemical_formula_sum 'Cd2 Cu1 Pt1'
_cell_volume 68.96172824
_cell_formula_units_Z 1
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
Cd Cd0 1 6.73384345 -0.00000000 1.23574181 1
Cd Cd1 1 1.62089437 -0.00000000 3.77213208 1
Cu Cu2 1 0.00000000 0.00000000 0.00000000 1
Pt Pt3 1 4.17736891 -0.00000000 2.50393695 1
[/CIF]
| Cd2CuPt | C2/m | 12 | monoclinic | 2/m | 11,641.108094 | false |
[CIF]
data_Li2AlBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.14922858
_cell_length_b 8.14922858
_cell_length_c 8.14922858
_cell_angle_alpha 156.63838000
_cell_angle_beta 156.52775504
_cell_angle_gamma 33.35566406
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2AlBr
_chemical_formula_sum 'Li2 Al1 Br1'
_cell_volume 85.39716569
_cell_formula_units_Z 1
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
Al Al0 1 0.00000000 0.00000000 8.62242170 1
Br Br1 1 0.00000000 1.65759068 4.64392398 1
Li Li2 1 0.00000000 -0.00000000 14.52253229 1
Li Li3 1 1.64988723 -0.00000000 3.43680181 1
[/CIF]
| AlBrLi2 | Imm2 | 44 | orthorhombic | mm2 | 2,348.354334 | false |
[CIF]
data_YCu2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93042010
_cell_length_b 4.93042010
_cell_length_c 4.93042010
_cell_angle_alpha 133.63672964
_cell_angle_beta 130.11391259
_cell_angle_gamma 70.46437015
_symmetry_Int_Tables_number 1
_chemical_formula_structural YCu2Ru
_chemical_formula_sum 'Y1 Cu2 Ru1'
_cell_volume 65.00804825
_cell_formula_units_Z 1
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
Cu Cu0 1 -0.00000000 2.07924254 1.95892374 1
Cu Cu1 1 1.94084647 -0.00000000 2.06834677 1
Ru Ru2 1 0.00000000 0.00000000 4.02727051 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cu2RuY | Immm | 71 | orthorhombic | mmm | 8,099.051824 | false |
[CIF]
data_B2OsRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00685889
_cell_length_b 4.00685889
_cell_length_c 4.00685889
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B2OsRh
_chemical_formula_sum 'B2 Os1 Rh1'
_cell_volume 45.48803174
_cell_formula_units_Z 1
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
B B0 1 4.24991564 4.24991564 4.24991564 1
B B1 1 0.00000000 0.00000000 0.00000000 1
Os Os2 1 1.41663855 1.41663855 1.41663855 1
Rh Rh3 1 2.83327709 2.83327709 2.83327709 1
[/CIF]
| B2OsRh | F-43m | 216 | cubic | -43m | 11,490.211936 | false |
[CIF]
data_KVTcSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77436737
_cell_length_b 4.77436737
_cell_length_c 4.77436737
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KVTcSn
_chemical_formula_sum 'K1 V1 Tc1 Sn1'
_cell_volume 76.95423069
_cell_formula_units_Z 1
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
K K0 1 0.00000000 0.00000000 0.00000000 1
Sn Sn1 1 3.37598754 3.37598754 3.37598754 1
Tc Tc2 1 1.68799377 1.68799377 1.68799377 1
V V3 1 5.06398131 5.06398131 5.06398131 1
[/CIF]
| KSnTcV | F-43m | 216 | cubic | -43m | 6,638.683832 | false |
[CIF]
data_SnIrRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75437542
_cell_length_b 4.75437542
_cell_length_c 2.86529442
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 106.26225317
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnIrRu2
_chemical_formula_sum 'Sn1 Ir1 Ru2'
_cell_volume 62.17601764
_cell_formula_units_Z 1
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
Ir Ir0 1 2.85255726 0.00000000 0.00000000 1
Ru Ru1 1 1.42627863 -1.90177567 1.43264721 1
Ru Ru2 1 1.42627863 1.90177566 1.43264721 1
Sn Sn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| IrRu2Sn | Cmmm | 65 | orthorhombic | mmm | 13,702.514726 | false |
[CIF]
data_InAg2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53257954
_cell_length_b 5.53257954
_cell_length_c 5.13230472
_cell_angle_alpha 96.13961327
_cell_angle_beta 96.13961327
_cell_angle_gamma 34.88575127
_symmetry_Int_Tables_number 1
_chemical_formula_structural InAg2Sb
_chemical_formula_sum 'In1 Ag2 Sb1'
_cell_volume 89.28393037
_cell_formula_units_Z 1
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
Ag Ag0 1 10.51616389 -0.00000000 0.01002115 1
Ag Ag1 1 2.27056395 0.00000000 3.80737731 1
In In2 1 5.01454197 0.00000000 2.66445367 1
Sb Sb3 1 7.72653737 0.00000000 1.16807528 1
[/CIF]
| Ag2InSb | Cm | 8 | monoclinic | m | 8,412.328271 | false |
[CIF]
data_Mn2PdPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48002506
_cell_length_b 4.48002506
_cell_length_c 4.48002506
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2PdPb
_chemical_formula_sum 'Mn2 Pd1 Pb1'
_cell_volume 63.58085056
_cell_formula_units_Z 1
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
Mn Mn0 1 1.58392805 1.58392805 1.58392805 1
Mn Mn1 1 0.00000000 0.00000000 0.00000000 1
Pb Pb2 1 4.75178415 4.75178415 4.75178415 1
Pd Pd3 1 3.16785610 3.16785610 3.16785610 1
[/CIF]
| Mn2PbPd | F-43m | 216 | cubic | -43m | 11,060.434011 | false |
[CIF]
data_Tl4CrPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05981173
_cell_length_b 6.05981173
_cell_length_c 6.05981173
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl4CrPt
_chemical_formula_sum 'Tl4 Cr1 Pt1'
_cell_volume 157.34842401
_cell_formula_units_Z 1
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
Cr Cr0 1 0.00000000 0.00000000 0.00000000 1
Pt Pt1 1 2.14246698 2.14246698 2.14246699 1
Tl Tl2 1 5.35389499 3.21597295 3.21597295 1
Tl Tl3 1 3.21597295 3.21597295 5.35389499 1
Tl Tl4 1 3.21597295 5.35389499 3.21597295 1
Tl Tl5 1 5.35389499 5.35389499 5.35389499 1
[/CIF]
| CrPtTl4 | F-43m | 216 | cubic | -43m | 11,235.142561 | false |
[CIF]
data_TiSn2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90093448
_cell_length_b 3.90093448
_cell_length_c 5.93117322
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiSn2Hg
_chemical_formula_sum 'Ti1 Sn2 Hg1'
_cell_volume 90.25638185
_cell_formula_units_Z 1
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
Hg Hg0 1 1.95046724 1.95046724 4.50070461 1
Sn Sn1 1 0.00000000 0.00000000 5.82747122 1
Sn Sn2 1 1.95046724 1.95046724 1.69433168 1
Ti Ti3 1 0.00000000 0.00000000 2.80542554 1
[/CIF]
| HgSn2Ti | P4mm | 99 | tetragonal | 4mm | 8,939.176638 | false |
[CIF]
data_Y2RePt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82751596
_cell_length_b 4.82751596
_cell_length_c 4.82751596
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2RePt
_chemical_formula_sum 'Y2 Re1 Pt1'
_cell_volume 79.55292572
_cell_formula_units_Z 1
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
Pt Pt0 1 5.12035390 5.12035390 5.12035390 1
Re Re1 1 3.41356927 3.41356927 3.41356927 1
Y Y2 1 1.70678463 1.70678463 1.70678463 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| PtReY2 | F-43m | 216 | cubic | -43m | 11,670.36746 | false |
[CIF]
data_YCoOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50850859
_cell_length_b 4.50850859
_cell_length_c 4.50850859
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YCoOs2
_chemical_formula_sum 'Y1 Co1 Os2'
_cell_volume 64.80129840
_cell_formula_units_Z 1
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
Co Co0 1 0.00000000 0.00000000 0.00000000 1
Os Os1 1 4.78199550 4.78199550 4.78199550 1
Os Os2 1 1.59399850 1.59399850 1.59399850 1
Y Y3 1 3.18799700 3.18799700 3.18799700 1
[/CIF]
| CoOs2Y | Fm-3m | 225 | cubic | m-3m | 13,537.710272 | false |
[CIF]
data_SrCaScMn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56927435
_cell_length_b 5.56927435
_cell_length_c 5.56927435
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrCaScMn
_chemical_formula_sum 'Sr1 Ca1 Sc1 Mn1'
_cell_volume 122.14644722
_cell_formula_units_Z 1
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
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
Mn Mn1 1 5.90710749 5.90710749 5.90710749 1
Sc Sc2 1 1.96903583 1.96903583 1.96903583 1
Sr Sr3 1 3.93807166 3.93807166 3.93807166 1
[/CIF]
| CaMnScSr | F-43m | 216 | cubic | -43m | 3,094.034615 | false |
[CIF]
data_TlWSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09687454
_cell_length_b 3.09687454
_cell_length_c 9.19174651
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlWSe2
_chemical_formula_sum 'Tl1 W1 Se2'
_cell_volume 88.15465745
_cell_formula_units_Z 1
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
Se Se0 1 1.54843727 1.54843727 8.53578736 1
Se Se1 1 0.00000000 0.00000000 2.43033813 1
Tl Tl2 1 1.54843727 1.54843727 4.90222102 1
W W3 1 0.00000000 0.00000000 7.11101977 1
[/CIF]
| Se2TlW | P4mm | 99 | tetragonal | 4mm | 10,287.514147 | false |
[CIF]
data_NaMgNbBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17526174
_cell_length_b 5.17526174
_cell_length_c 5.17526174
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaMgNbBi
_chemical_formula_sum 'Na1 Mg1 Nb1 Bi1'
_cell_volume 98.01261119
_cell_formula_units_Z 1
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
Bi Bi0 1 5.48919400 5.48919400 5.48919400 1
Mg Mg1 1 3.65946267 3.65946267 3.65946267 1
Na Na2 1 0.00000000 0.00000000 0.00000000 1
Nb Nb3 1 1.82973133 1.82973133 1.82973133 1
[/CIF]
| BiMgNaNb | F-43m | 216 | cubic | -43m | 5,915.867324 | false |
[CIF]
data_Zr2TeAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.75029012
_cell_length_b 3.75029012
_cell_length_c 6.55518991
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2TeAs
_chemical_formula_sum 'Zr2 Te1 As1'
_cell_volume 92.19662185
_cell_formula_units_Z 1
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
As As0 1 0.00000000 0.00000000 2.72520110 1
Te Te1 1 1.87514506 1.87514506 5.28173080 1
Zr Zr2 1 0.00000000 0.00000000 6.47982817 1
Zr Zr3 1 1.87514506 1.87514506 1.90121471 1
[/CIF]
| AsTeZr2 | P4mm | 99 | tetragonal | 4mm | 6,933.628013 | false |
[CIF]
data_TaFeCuAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42694658
_cell_length_b 4.42694658
_cell_length_c 4.42694658
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaFeCuAu
_chemical_formula_sum 'Ta1 Fe1 Cu1 Au1'
_cell_volume 61.34763821
_cell_formula_units_Z 1
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
Au Au0 1 4.69548592 4.69548592 4.69548593 1
Cu Cu1 1 1.56516198 1.56516198 1.56516198 1
Fe Fe2 1 0.00000000 -0.00000000 0.00000000 1
Ta Ta3 1 3.13032395 3.13032395 3.13032395 1
[/CIF]
| AuCuFeTa | F-43m | 216 | cubic | -43m | 13,460.911459 | false |
[CIF]
data_YMgNbOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77666104
_cell_length_b 4.77666104
_cell_length_c 4.77666104
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YMgNbOs
_chemical_formula_sum 'Y1 Mg1 Nb1 Os1'
_cell_volume 77.06519353
_cell_formula_units_Z 1
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
Mg Mg0 1 0.00000000 0.00000000 0.00000000 1
Nb Nb1 1 1.68880471 1.68880471 1.68880471 1
Os Os2 1 5.06641412 5.06641411 5.06641411 1
Y Y3 1 3.37760941 3.37760941 3.37760941 1
[/CIF]
| MgNbOsY | F-43m | 216 | cubic | -43m | 8,540.172667 | false |
[CIF]
data_CoRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57561775
_cell_length_b 3.57561775
_cell_length_c 3.57561775
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoRh
_chemical_formula_sum 'Co1 Rh1'
_cell_volume 32.32497940
_cell_formula_units_Z 1
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
Co Co0 1 0.00000000 0.00000000 0.00000000 1
Rh Rh1 1 3.79251534 3.79251534 3.79251534 1
[/CIF]
| CoRh | F-43m | 216 | cubic | -43m | 8,313.678168 | false |
[CIF]
data_ScGePd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42778520
_cell_length_b 3.42778520
_cell_length_c 5.81711342
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScGePd2
_chemical_formula_sum 'Sc1 Ge1 Pd2'
_cell_volume 68.34940373
_cell_formula_units_Z 1
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
Ge Ge0 1 0.00000000 0.00000000 2.90855671 1
Pd Pd1 1 1.71389260 1.71389260 4.33567898 1
Pd Pd2 1 1.71389260 1.71389260 1.48143444 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| GePd2Sc | P4/mmm | 123 | tetragonal | 4/mmm | 8,027.893601 | false |
[CIF]
data_PRuW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13207898
_cell_length_b 4.13207898
_cell_length_c 4.13207898
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PRuW
_chemical_formula_sum 'P1 Ru1 W1'
_cell_volume 49.88739714
_cell_formula_units_Z 1
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
P P0 1 0.00000000 0.00000000 0.00000000 1
Ru Ru1 1 2.92182107 2.92182107 2.92182107 1
W W2 1 1.46091054 1.46091054 1.46091054 1
[/CIF]
| PRuW | F-43m | 216 | cubic | -43m | 10,514.425634 | false |
[CIF]
data_HfMg3Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74893899
_cell_length_b 4.74893899
_cell_length_c 4.74893899
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfMg3Cu
_chemical_formula_sum 'Hf1 Mg3 Cu1'
_cell_volume 107.10007393
_cell_formula_units_Z 1
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
Mg Mg0 1 0.00000000 2.37446950 0.00000000 1
Mg Mg1 1 0.00000000 0.00000000 2.37446950 1
Mg Mg2 1 2.37446950 0.00000000 0.00000000 1
Hf Hf3 1 2.37446950 2.37446950 2.37446950 1
Cu Cu4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CuHfMg3 | Pm-3m | 221 | cubic | m-3m | 4,883.175337 | false |
[CIF]
data_VCdTcMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49638775
_cell_length_b 4.49638775
_cell_length_c 4.49638775
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VCdTcMo
_chemical_formula_sum 'V1 Cd1 Tc1 Mo1'
_cell_volume 64.28005956
_cell_formula_units_Z 1
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
Cd Cd0 1 4.76913941 4.76913941 4.76913940 1
Mo Mo1 1 3.17942627 3.17942627 3.17942627 1
Tc Tc2 1 1.58971313 1.58971313 1.58971313 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CdMoTcV | F-43m | 216 | cubic | -43m | 9,253.8207 | false |
[CIF]
data_ScSiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42882606
_cell_length_b 5.40823132
_cell_length_c 2.96130592
_cell_angle_alpha 74.52548019
_cell_angle_beta 73.75886355
_cell_angle_gamma 31.71565626
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScSiNi
_chemical_formula_sum 'Sc1 Si1 Ni1'
_cell_volume 43.81132216
_cell_formula_units_Z 1
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
Ni Ni0 1 2.06714130 2.12043854 9.71477139 1
Sc Sc1 1 2.06714130 2.12043854 6.65063962 1
Si Si2 1 2.06714130 2.12043854 3.62494379 1
[/CIF]
| NiScSi | Fmm2 | 42 | orthorhombic | mm2 | 4,993.019863 | false |
[CIF]
data_TaSnPtAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71526187
_cell_length_b 4.71526187
_cell_length_c 4.71526187
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaSnPtAu
_chemical_formula_sum 'Ta1 Sn1 Pt1 Au1'
_cell_volume 74.13144266
_cell_formula_units_Z 1
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
Au Au0 1 5.00129046 5.00129046 5.00129046 1
Pt Pt1 1 1.66709682 1.66709682 1.66709682 1
Sn Sn2 1 -0.00000000 -0.00000000 -0.00000000 1
Ta Ta3 1 3.33419364 3.33419364 3.33419364 1
[/CIF]
| AuPtSnTa | F-43m | 216 | cubic | -43m | 15,494.220281 | false |
[CIF]
data_SrTiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62885419
_cell_length_b 5.62885419
_cell_length_c 13.88603800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrTiO3
_chemical_formula_sum 'Sr6 Ti6 O18'
_cell_volume 381.02105829
_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
Sr Sr0 1 2.81442710 1.62491024 8.34160686 1
Sr Sr1 1 0.00000000 0.00000000 10.41452850 1
Sr Sr2 1 0.00000000 0.00000000 3.47150950 1
Sr Sr3 1 2.81442710 1.62491024 12.48745014 1
Sr Sr4 1 0.00000000 3.24982048 1.39858786 1
Sr Sr5 1 -0.00000000 3.24982048 5.54443114 1
Ti Ti6 1 2.81442710 1.62491024 4.80540231 1
Ti Ti7 1 0.00000000 0.00000000 6.94301900 1
Ti Ti8 1 0.00000000 0.00000000 0.00000000 1
Ti Ti9 1 2.81442710 1.62491024 2.13761669 1
Ti Ti10 1 -0.00000000 3.24982048 9.08063569 1
Ti Ti11 1 0.00000000 3.24982048 11.74842131 1
O O12 1 2.81442710 3.26923816 5.81040431 1
O O13 1 2.81442710 3.26923816 1.13261469 1
O O14 1 1.49954083 2.38406018 3.47150950 1
O O15 1 4.12931336 2.38406018 3.47150950 1
O O16 1 1.39039735 0.80274628 5.81040431 1
O O17 1 1.39039735 0.80274628 1.13261469 1
O O18 1 2.81442710 0.10661036 3.47150950 1
O O19 1 -1.42402975 4.07198444 8.07563369 1
O O20 1 -1.42402975 4.07198444 12.75342331 1
O O21 1 4.23845685 0.80274628 1.13261469 1
O O22 1 4.23845685 0.80274628 5.81040431 1
O O23 1 0.00000000 4.76812036 10.41452850 1
O O24 1 -1.31488627 2.49067054 10.41452850 1
O O25 1 1.42402975 4.07198444 12.75342331 1
O O26 1 1.42402975 4.07198444 8.07563369 1
O O27 1 1.31488627 2.49067054 10.41452850 1
O O28 1 -0.00000000 1.60549256 12.75342331 1
O O29 1 -0.00000000 1.60549256 8.07563369 1
[/CIF]
| O18Sr6Ti6 | P6_3/mmc | 194 | hexagonal | 6/mmm | 4,797.913331 | false |
[CIF]
data_LaHgPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73232143
_cell_length_b 4.73232143
_cell_length_c 3.82230337
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaHgPd2
_chemical_formula_sum 'La1 Hg1 Pd2'
_cell_volume 85.59997223
_cell_formula_units_Z 1
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
Hg Hg0 1 2.36616071 2.36616071 0.00000000 1
La La1 1 0.00000000 0.00000000 0.00000000 1
Pd Pd2 1 0.00000000 2.36616071 1.91115169 1
Pd Pd3 1 2.36616071 0.00000000 1.91115169 1
[/CIF]
| HgLaPd2 | P4/mmm | 123 | tetragonal | 4/mmm | 10,714.66032 | false |
[CIF]
data_Mg2VSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83697812
_cell_length_b 4.83697812
_cell_length_c 4.83697812
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2VSn
_chemical_formula_sum 'Mg2 V1 Sn1'
_cell_volume 80.02162588
_cell_formula_units_Z 1
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
Mg Mg0 1 5.13039005 5.13039005 5.13039005 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Sn Sn2 1 1.71013001 1.71013002 1.71013002 1
V V3 1 3.42026003 3.42026003 3.42026003 1
[/CIF]
| Mg2SnV | F-43m | 216 | cubic | -43m | 4,529.172502 | false |
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