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_YHgP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03467678
_cell_length_b 4.03467678
_cell_length_c 10.65673540
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YHgP
_chemical_formula_sum 'Y2 Hg2 P2'
_cell_volume 150.23541210
_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
Hg Hg0 1 2.01733839 1.16471086 6.06700340 1
Hg Hg1 1 0.00000000 2.32942173 0.73863570 1
P P2 1 2.01733839 1.16471086 9.77313250 1
P P3 1 0.00000000 2.32942173 4.44476480 1
Y Y4 1 0.00000000 0.00000000 8.35065356 1
Y Y5 1 0.00000000 0.00000000 3.02228586 1
[/CIF]
| Hg2P2Y2 | P6_3mc | 186 | hexagonal | 6mm | 7,084.113531 | false |
[CIF]
data_YZrGaFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67411259
_cell_length_b 4.67411259
_cell_length_c 4.67411259
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YZrGaFe
_chemical_formula_sum 'Y1 Zr1 Ga1 Fe1'
_cell_volume 72.20753363
_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 0.00000000 0.00000000 0.00000000 1
Ga Ga1 1 1.65254836 1.65254836 1.65254836 1
Y Y2 1 4.95764506 4.95764506 4.95764506 1
Zr Zr3 1 3.30509671 3.30509671 3.30509671 1
[/CIF]
| FeGaYZr | F-43m | 216 | cubic | -43m | 7,030.059012 | false |
[CIF]
data_K2CdCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44028067
_cell_length_b 4.69058856
_cell_length_c 6.82864923
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.18402525
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2CdCo
_chemical_formula_sum 'K2 Cd1 Co1'
_cell_volume 135.87512973
_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 0.40524247 2.34529428 3.55386191 1
Co Co1 1 0.40171095 0.00000000 4.53514061 1
K K2 1 -1.78584698 2.34529428 6.05757029 1
K K3 1 2.59564524 0.00000000 2.16298624 1
[/CIF]
| CdCoK2 | Pm | 6 | monoclinic | m | 3,049.65478 | false |
[CIF]
data_KLiFeNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69892481
_cell_length_b 4.69892481
_cell_length_c 4.69892481
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KLiFeNi
_chemical_formula_sum 'K1 Li1 Fe1 Ni1'
_cell_volume 73.36357567
_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 4.98396240 4.98396240 4.98396240 1
K K1 1 1.66132080 1.66132080 1.66132080 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Ni Ni3 1 3.32264160 3.32264160 3.32264160 1
[/CIF]
| FeKLiNi | F-43m | 216 | cubic | -43m | 3,634.576718 | false |
[CIF]
data_CrCu4Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76780640
_cell_length_b 4.76780640
_cell_length_c 4.76780640
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrCu4Ir
_chemical_formula_sum 'Cr1 Cu4 Ir1'
_cell_volume 76.63741372
_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
Cu Cu1 1 4.21345684 4.21345684 4.21345684 1
Cu Cu2 1 2.52923964 4.21345684 2.52923964 1
Cu Cu3 1 4.21345684 2.52923964 2.52923964 1
Cu Cu4 1 2.52923964 2.52923964 4.21345684 1
Ir Ir5 1 1.68567412 1.68567412 1.68567412 1
[/CIF]
| CrCu4Ir | F-43m | 216 | cubic | -43m | 10,799.005539 | false |
[CIF]
data_SrLi2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90668479
_cell_length_b 4.90668479
_cell_length_c 4.50082269
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrLi2Sn
_chemical_formula_sum 'Sr1 Li2 Sn1'
_cell_volume 108.35980705
_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 2.45334239 2.25041134 1
Li Li1 1 2.45334239 0.00000000 2.25041134 1
Sn Sn2 1 2.45334239 2.45334239 0.00000000 1
Sr Sr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Li2SnSr | P4/mmm | 123 | tetragonal | 4/mmm | 3,374.596531 | false |
[CIF]
data_Mg4GeN4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39201460
_cell_length_b 10.72643518
_cell_length_c 8.28411898
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg4GeN4
_chemical_formula_sum 'Mg16 Ge4 N16'
_cell_volume 479.12937724
_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
Mg Mg0 1 0.97495917 3.85440976 5.11696410 1
Mg Mg1 1 1.72104813 6.87202542 5.11696410 1
Mg Mg2 1 0.97495917 1.50880783 7.30921437 1
Mg Mg3 1 1.72104813 9.21762735 7.30921437 1
Mg Mg4 1 4.41705543 6.87202542 3.16715488 1
Mg Mg5 1 3.67096647 3.85440976 3.16715488 1
Mg Mg6 1 4.41705543 9.21762735 0.97490461 1
Mg Mg7 1 3.67096647 1.50880783 0.97490461 1
Mg Mg8 1 4.04401095 5.36321759 0.36168820 1
Mg Mg9 1 4.04401095 0.00000000 3.78037129 1
Mg Mg10 1 1.34800365 5.36321759 7.92243078 1
Mg Mg11 1 1.34800365 0.00000000 4.50374769 1
Mg Mg12 1 3.91202144 2.68160880 6.21308923 1
Mg Mg13 1 4.17600046 8.04482639 6.21308923 1
Mg Mg14 1 1.47999316 8.04482639 2.07102975 1
Mg Mg15 1 1.21601414 2.68160880 2.07102975 1
Ge Ge16 1 4.04401095 5.36321759 5.89165490 1
Ge Ge17 1 4.04401095 0.00000000 6.53452357 1
Ge Ge18 1 1.34800365 5.36321759 2.39246408 1
Ge Ge19 1 1.34800365 0.00000000 1.74959541 1
N N20 1 2.97669849 4.07241887 5.06530732 1
N N21 1 5.11132341 6.65401631 5.06530732 1
N N22 1 2.97669849 1.29079872 7.36087115 1
N N23 1 5.11132341 9.43563646 7.36087115 1
N N24 1 2.41531611 6.65401631 3.21881166 1
N N25 1 0.28069119 4.07241887 3.21881166 1
N N26 1 2.41531611 9.43563646 0.92324783 1
N N27 1 0.28069119 1.29079872 0.92324783 1
N N28 1 5.22378590 1.10445233 5.45669359 1
N N29 1 2.86423600 9.62198285 5.45669359 1
N N30 1 5.22378590 4.25876526 6.96948488 1
N N31 1 2.86423600 6.46766992 6.96948488 1
N N32 1 0.16822870 9.62198285 2.82742539 1
N N33 1 2.52777860 1.10445233 2.82742539 1
N N34 1 0.16822870 6.46766992 1.31463410 1
N N35 1 2.52777860 4.25876526 1.31463410 1
[/CIF]
| Ge4Mg16N16 | Pnna | 52 | orthorhombic | mmm | 3,131.461971 | false |
[CIF]
data_VCrGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.23989128
_cell_length_b 8.23989128
_cell_length_c 8.23989128
_cell_angle_alpha 19.81853955
_cell_angle_beta 19.81853955
_cell_angle_gamma 19.81853955
_symmetry_Int_Tables_number 1
_chemical_formula_structural VCrGe2
_chemical_formula_sum 'V1 Cr1 Ge2'
_cell_volume 56.24844449
_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 12.11335953 1
Ge Ge1 1 -0.00000000 0.00000000 5.99065662 1
Ge Ge2 1 0.00000000 0.00000000 18.23606243 1
V V3 1 -0.00000000 -0.00000000 -0.00000000 1
[/CIF]
| CrGe2V | R-3m | 166 | trigonal | -3m | 7,327.758576 | false |
[CIF]
data_TaIr2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47258344
_cell_length_b 4.47258344
_cell_length_c 4.47258344
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaIr2Pt
_chemical_formula_sum 'Ta1 Ir2 Pt1'
_cell_volume 63.26454029
_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 4.74389112 4.74389112 4.74389112 1
Ir Ir1 1 1.58129704 1.58129704 1.58129704 1
Pt Pt2 1 3.16259408 3.16259408 3.16259408 1
Ta Ta3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ir2PtTa | Fm-3m | 225 | cubic | m-3m | 19,960.364791 | false |
[CIF]
data_Na2AgBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73263673
_cell_length_b 5.01728138
_cell_length_c 5.41278947
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2AgBr
_chemical_formula_sum 'Na2 Ag1 Br1'
_cell_volume 101.36903654
_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 1.86631836 2.50864069 0.00000000 1
Br Br1 1 1.86631836 0.00000000 2.70639473 1
Na Na2 1 0.00000000 0.00000000 0.00000000 1
Na Na3 1 0.00000000 2.50864069 2.70639473 1
[/CIF]
| AgBrNa2 | Pmmm | 47 | orthorhombic | mmm | 3,829.116928 | false |
[CIF]
data_Li8Mn7Fe(BO3)8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24615100
_cell_length_b 5.25229725
_cell_length_c 21.00563884
_cell_angle_alpha 91.15033635
_cell_angle_beta 90.89048147
_cell_angle_gamma 119.81768941
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li8Mn7Fe(BO3)8
_chemical_formula_sum 'Li8 Mn7 Fe1 B8 O24'
_cell_volume 501.85227179
_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 0.77532207 1.01484402 13.98444849 1
Li Li1 1 0.47831087 0.96638731 19.23506655 1
Li Li2 1 0.93889668 1.35118463 3.48491272 1
Li Li3 1 0.63736032 1.31113135 8.73267584 1
Li Li4 1 1.52637028 2.43859234 16.60636726 1
Li Li5 1 1.51195940 2.65114215 11.36095529 1
Li Li6 1 1.67499781 2.77227915 6.11086202 1
Li Li7 1 1.67714486 2.98749502 0.86089472 1
Mn Mn8 1 4.18432859 1.12304706 11.72609556 1
Mn Mn9 1 4.34715327 1.46155895 1.22265523 1
Mn Mn10 1 3.16494037 2.46605892 19.57910956 1
Mn Mn11 1 3.32239047 2.79152868 9.09983138 1
Mn Mn12 1 0.71252759 4.08716233 14.36472422 1
Mn Mn13 1 0.88879589 4.42019217 3.85019994 1
Mn Mn14 1 -0.97751469 4.33216029 6.47484772 1
Fe Fe15 1 1.44035422 -0.54375101 16.97266211 1
B B16 1 3.14275803 -0.61428691 19.65665516 1
B B17 1 3.30478685 -0.28082674 9.17603347 1
B B18 1 4.08317820 0.96371414 17.04296537 1
B B19 1 4.24642745 1.31368938 6.55123874 1
B B20 1 -1.93247239 2.54234133 14.43987669 1
B B21 1 -1.76597192 2.87461529 3.92604517 1
B B22 1 -1.02773710 4.15648071 11.80240261 1
B B23 1 -0.86531061 4.49306392 1.30183823 1
O O24 1 3.47109507 -0.22029366 16.64012290 1
O O25 1 3.67176595 0.12320970 6.10863684 1
O O26 1 3.90477656 0.51795853 19.97920203 1
O O27 1 1.82589009 -0.46458678 19.22650169 1
O O28 1 4.06904593 0.85039939 9.49228265 1
O O29 1 1.98577363 -0.12848326 8.74373879 1
O O30 1 3.31855759 2.09566309 17.34605237 1
O O31 1 0.99515582 0.84191421 11.95547855 1
O O32 1 3.43168819 2.41112340 6.87210623 1
O O33 1 1.15905976 1.17894292 1.45409547 1
O O34 1 0.21969320 1.03810659 17.17668639 1
O O35 1 0.36972652 1.42144795 6.70584712 1
O O36 1 1.94431765 2.40536618 14.58319121 1
O O37 1 2.11207321 2.73589821 4.07849134 1
O O38 1 1.09302905 2.68537129 19.81004598 1
O O39 1 -1.14600131 1.47260753 14.00323660 1
O O40 1 1.25286752 3.01940585 9.32799681 1
O O41 1 -0.97822124 1.80670128 3.49532491 1
O O42 1 0.32806011 3.99681893 12.12597811 1
O O43 1 0.49229659 4.33312908 1.62383930 1
O O44 1 -1.77425315 3.06505724 11.35946483 1
O O45 1 -1.61128547 3.40246464 0.85948823 1
O O46 1 -1.33221094 3.76555755 14.76341021 1
O O47 1 -1.16575954 4.10194715 4.24273519 1
[/CIF]
| B8FeLi8Mn7O24 | P1 | 1 | triclinic | 1 | 3,197.686829 | true |
[CIF]
data_SrSbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73727088
_cell_length_b 3.73727088
_cell_length_c 7.43878985
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrSbSe2
_chemical_formula_sum 'Sr1 Sb1 Se2'
_cell_volume 103.89901793
_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
Sb Sb0 1 0.00000000 0.00000000 3.71939493 1
Se Se1 1 1.86863544 1.86863544 5.56509839 1
Se Se2 1 1.86863544 1.86863544 1.87369146 1
Sr Sr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| SbSe2Sr | P4/mmm | 123 | tetragonal | 4/mmm | 5,870.27705 | false |
[CIF]
data_CI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.04384796
_cell_length_b 7.04384796
_cell_length_c 3.82194302
_cell_angle_alpha 97.14470728
_cell_angle_beta 97.14470728
_cell_angle_gamma 27.14500950
_symmetry_Int_Tables_number 1
_chemical_formula_structural CI
_chemical_formula_sum 'C2 I2'
_cell_volume 85.80588657
_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
C C0 1 8.61245129 0.00000000 2.62282165 1
C C1 1 4.59281448 0.00000000 1.16770792 1
I I2 1 11.54369803 0.00000000 2.57226694 1
I I3 1 1.66156775 0.00000000 1.21826263 1
[/CIF]
| C2I2 | C2/m | 12 | monoclinic | 2/m | 5,376.648991 | false |
[CIF]
data_BaFeIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.82520994
_cell_length_b 9.82520994
_cell_length_c 9.82520994
_cell_angle_alpha 17.14426420
_cell_angle_beta 17.14426420
_cell_angle_gamma 17.14426420
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaFeIr2
_chemical_formula_sum 'Ba1 Fe1 Ir2'
_cell_volume 71.90780717
_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 14.51788511 1
Fe Fe1 1 0.00000000 0.00000000 0.00000000 1
Ir Ir2 1 -0.00000000 -0.00000000 21.26980128 1
Ir Ir3 1 -0.00000000 0.00000000 7.76596895 1
[/CIF]
| BaFeIr2 | R-3m | 166 | trigonal | -3m | 13,338.431047 | false |
[CIF]
data_VCrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13369700
_cell_length_b 5.49302882
_cell_length_c 7.49436772
_cell_angle_alpha 95.49595456
_cell_angle_beta 90.01664355
_cell_angle_gamma 90.10836393
_symmetry_Int_Tables_number 1
_chemical_formula_structural VCrO3
_chemical_formula_sum 'V4 Cr4 O12'
_cell_volume 210.36583695
_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
V V0 1 2.56413792 3.77091969 6.33578787 1
V V1 1 5.12689357 1.02634854 6.36159917 1
V V2 1 0.00054628 3.75061958 1.10321699 1
V V3 1 -0.00366186 1.37739774 2.64212286 1
Cr Cr4 1 5.12104850 3.37753165 4.83782948 1
Cr Cr5 1 2.55797593 4.14491884 2.60329400 1
Cr Cr6 1 2.56268736 0.62929027 4.85103353 1
Cr Cr7 1 2.56118082 0.98868870 1.13521257 1
O O8 1 3.57002386 2.20578887 5.57392913 1
O O9 1 0.75178149 2.95266139 6.71384890 1
O O10 1 1.76892114 4.23986207 4.45723953 1
O O11 1 4.12223620 4.95499984 5.57336964 1
O O12 1 4.34612104 3.30279278 2.99300742 1
O O13 1 1.79771942 0.20162367 6.73339388 1
O O14 1 0.78912844 1.49272422 4.47090610 1
O O15 1 3.32625453 4.59698474 0.73310077 1
O O16 1 3.33186669 0.53112622 3.00527152 1
O O17 1 4.33771001 1.83565395 0.74915450 1
O O18 1 1.56023120 2.55736911 1.86606044 1
O O19 1 1.00812354 5.30810838 1.85977919 1
[/CIF]
| Cr4O12V4 | P1 | 1 | triclinic | 1 | 4,765.693823 | false |
[CIF]
data_Sb2TeAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74045677
_cell_length_b 5.74045677
_cell_length_c 5.74045677
_cell_angle_alpha 131.79472606
_cell_angle_beta 131.79472606
_cell_angle_gamma 70.55342861
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sb2TeAu
_chemical_formula_sum 'Sb2 Te1 Au1'
_cell_volume 103.01502180
_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 4.68635030 1
Sb Sb1 1 0.00000000 2.34424452 2.34317515 1
Sb Sb2 1 2.34424452 0.00000000 2.34317515 1
Te Te3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuSb2Te | I4/mmm | 139 | tetragonal | 4/mmm | 9,157.207604 | false |
[CIF]
data_K2CrSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67210452
_cell_length_b 5.67210452
_cell_length_c 5.67210452
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2CrSe
_chemical_formula_sum 'K2 Cr1 Se1'
_cell_volume 129.03801608
_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
K K1 1 2.00539178 2.00539178 2.00539178 1
K K2 1 6.01617535 6.01617535 6.01617535 1
Se Se3 1 4.01078357 4.01078357 4.01078357 1
[/CIF]
| CrK2Se | Fm-3m | 225 | cubic | m-3m | 2,691.503169 | false |
[CIF]
data_Ga2CoAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68749025
_cell_length_b 4.68749025
_cell_length_c 4.68749025
_cell_angle_alpha 130.43036323
_cell_angle_beta 130.43036323
_cell_angle_gamma 72.71968947
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga2CoAg
_chemical_formula_sum 'Ga2 Co1 Ag1'
_cell_volume 58.30561604
_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 3.77488039 1
Co Co1 1 0.00000000 0.00000000 0.00000000 1
Ga Ga2 1 1.96504998 -0.00000000 1.88744020 1
Ga Ga3 1 -0.00000000 1.96504998 1.88744020 1
[/CIF]
| AgCoGa2 | I4/mmm | 139 | tetragonal | 4/mmm | 8,721.900187 | false |
[CIF]
data_CuSnTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95879135
_cell_length_b 4.95879135
_cell_length_c 4.95879135
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuSnTe
_chemical_formula_sum 'Cu1 Sn1 Te1'
_cell_volume 86.22089110
_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 0.00000000 0.00000000 1
Sn Sn1 1 3.50639499 3.50639499 3.50639499 1
Te Te2 1 1.75319749 1.75319749 1.75319749 1
[/CIF]
| CuSnTe | F-43m | 216 | cubic | -43m | 5,967.555965 | false |
[CIF]
data_Tl2FeSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15551366
_cell_length_b 5.15551366
_cell_length_c 5.15551366
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl2FeSe
_chemical_formula_sum 'Tl2 Fe1 Se1'
_cell_volume 96.89487974
_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 0.00000000 0.00000000 0.00000000 1
Se Se1 1 1.82274933 1.82274933 1.82274933 1
Tl Tl2 1 3.64549867 3.64549867 3.64549867 1
Tl Tl3 1 5.46824800 5.46824800 5.46824800 1
[/CIF]
| FeSeTl2 | F-43m | 216 | cubic | -43m | 9,315.47549 | false |
[CIF]
data_LiAuCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81544558
_cell_length_b 3.81544558
_cell_length_c 7.53685193
_cell_angle_alpha 103.07683492
_cell_angle_beta 103.07683492
_cell_angle_gamma 59.79464424
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiAuCl2
_chemical_formula_sum 'Li1 Au1 Cl2'
_cell_volume 91.53553078
_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 2.32416459 -0.00000000 3.63781794 1
Cl Cl1 1 2.44405493 -0.00000000 5.94204966 1
Cl Cl2 1 2.20427424 0.00000000 1.33358622 1
Li Li3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuCl2Li | C2/m | 12 | monoclinic | 2/m | 4,985.371947 | false |
[CIF]
data_MoPdCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13593590
_cell_length_b 4.13593590
_cell_length_c 4.13593590
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoPdCl
_chemical_formula_sum 'Mo1 Pd1 Cl1'
_cell_volume 50.02722340
_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
Mo Mo1 1 4.38682248 4.38682248 4.38682248 1
Pd Pd2 1 1.46227416 1.46227416 1.46227416 1
[/CIF]
| ClMoPd | F-43m | 216 | cubic | -43m | 7,894.321551 | false |
[CIF]
data_NaTi2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73531613
_cell_length_b 5.73531613
_cell_length_c 3.00192670
_cell_angle_alpha 105.06548691
_cell_angle_beta 105.06548691
_cell_angle_gamma 118.45066738
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaTi2Se
_chemical_formula_sum 'Na1 Ti2 Se1'
_cell_volume 74.78258474
_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
Se Se1 1 2.93454917 -0.00000000 0.00000000 1
Ti Ti2 1 1.46727459 -2.46385228 0.00000000 1
Ti Ti3 1 1.46727459 2.46385228 0.00000000 1
[/CIF]
| NaSeTi2 | C2/m | 12 | monoclinic | 2/m | 4,389.546348 | false |
[CIF]
data_Cr2PdSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92244810
_cell_length_b 2.92244810
_cell_length_c 6.35262958
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr2PdSe
_chemical_formula_sum 'Cr2 Pd1 Se1'
_cell_volume 54.25592186
_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 1.46122405 1.46122405 1.41724498 1
Cr Cr1 1 1.46122405 1.46122405 4.93538460 1
Pd Pd2 1 0.00000000 0.00000000 3.17631479 1
Se Se3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cr2PdSe | P4/mmm | 123 | tetragonal | 4/mmm | 8,856.431269 | false |
[CIF]
data_HC3Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64088126
_cell_length_b 3.64088126
_cell_length_c 3.64088126
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HC3Cl
_chemical_formula_sum 'H1 C3 Cl1'
_cell_volume 48.26358151
_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
H H0 1 0.00000000 0.00000000 0.00000000 1
C C1 1 1.82044063 0.00000000 1.82044063 1
C C2 1 1.82044063 1.82044063 0.00000000 1
C C3 1 0.00000000 1.82044063 1.82044063 1
Cl Cl4 1 1.82044063 1.82044063 1.82044063 1
[/CIF]
| C3HCl | Pm-3m | 221 | cubic | m-3m | 2,494.16892 | false |
[CIF]
data_AgBiOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33962448
_cell_length_b 3.33962448
_cell_length_c 6.31165019
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgBiOs2
_chemical_formula_sum 'Ag1 Bi1 Os2'
_cell_volume 70.39441314
_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
Bi Bi1 1 0.00000000 0.00000000 3.15582509 1
Os Os2 1 1.66981224 1.66981224 4.83592395 1
Os Os3 1 1.66981224 1.66981224 1.47572624 1
[/CIF]
| AgBiOs2 | P4/mmm | 123 | tetragonal | 4/mmm | 16,448.86462 | false |
[CIF]
data_TlTe2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33792601
_cell_length_b 5.33792601
_cell_length_c 5.33792601
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlTe2Au
_chemical_formula_sum 'Tl1 Te2 Au1'
_cell_volume 107.54807749
_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 3.77448368 3.77448368 3.77448368 1
Te Te1 1 0.00000000 0.00000000 0.00000000 1
Te Te2 1 1.88724184 1.88724184 1.88724184 1
Tl Tl3 1 5.66172552 5.66172552 5.66172552 1
[/CIF]
| AuTe2Tl | F-43m | 216 | cubic | -43m | 10,137.110138 | false |
[CIF]
data_K2NiMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39426715
_cell_length_b 5.39426715
_cell_length_c 5.39426715
_cell_angle_alpha 120.75347417
_cell_angle_beta 120.75347417
_cell_angle_gamma 88.69982474
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2NiMo
_chemical_formula_sum 'K2 Ni1 Mo1'
_cell_volume 109.69494419
_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 2.66635849 1.92867719 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Mo Mo2 1 2.66635849 0.00000000 1.92867719 1
Ni Ni3 1 0.00000000 0.00000000 3.85735439 1
[/CIF]
| K2MoNi | I-4m2 | 119 | tetragonal | -42m | 3,524.834481 | false |
[CIF]
data_Li2AgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68820702
_cell_length_b 4.68820702
_cell_length_c 3.43299952
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.62471347
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2AgPb
_chemical_formula_sum 'Li2 Ag1 Pb1'
_cell_volume 75.45039009
_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
Li Li1 1 1.64847062 -1.66654310 1.71649976 1
Li Li2 1 1.64847061 1.66654310 1.71649976 1
Pb Pb3 1 3.29694123 -0.00000000 0.00000000 1
[/CIF]
| AgLi2Pb | Cmmm | 65 | orthorhombic | mmm | 7,239.6532 | false |
[CIF]
data_YSc2Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04083829
_cell_length_b 6.04083829
_cell_length_c 6.04083829
_cell_angle_alpha 139.30632552
_cell_angle_beta 139.30632552
_cell_angle_gamma 58.90807484
_symmetry_Int_Tables_number 1
_chemical_formula_structural YSc2Cu
_chemical_formula_sum 'Y1 Sc2 Cu1'
_cell_volume 92.82399685
_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 0.00000000 0.00000000 1
Sc Sc1 1 2.10041292 -0.00000000 2.63003129 1
Sc Sc2 1 -0.00000000 2.10041292 2.63003129 1
Y Y3 1 0.00000000 -0.00000000 5.26006258 1
[/CIF]
| CuSc2Y | I4/mmm | 139 | tetragonal | 4/mmm | 4,335.671407 | false |
[CIF]
data_SrRuO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94053662
_cell_length_b 3.94053662
_cell_length_c 3.94053662
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrRuO3
_chemical_formula_sum 'Sr1 Ru1 O3'
_cell_volume 61.18797823
_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
O O0 1 0.00000000 1.97026831 1.97026831 1
O O1 1 1.97026831 0.00000000 1.97026831 1
O O2 1 1.97026831 1.97026831 0.00000000 1
Ru Ru3 1 1.97026831 1.97026831 1.97026831 1
Sr Sr4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| O3RuSr | Pm-3m | 221 | cubic | m-3m | 6,423.320628 | false |
[CIF]
data_SrSbMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17434458
_cell_length_b 4.19821572
_cell_length_c 7.28255543
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.26452341
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrSbMo2
_chemical_formula_sum 'Sr1 Sb1 Mo2'
_cell_volume 95.49832537
_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
Mo Mo0 1 -0.11016613 2.09910786 0.63224061 1
Mo Mo1 1 1.95333807 0.00000000 1.49266837 1
Sb Sb2 1 1.23895789 2.09910786 3.20024873 1
Sr Sr3 1 -0.26716333 0.00000000 5.42384560 1
[/CIF]
| Mo2SbSr | Pm | 6 | monoclinic | m | 6,977.864008 | false |
[CIF]
data_Tl2ZnCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00827272
_cell_length_b 5.00827272
_cell_length_c 5.00827272
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl2ZnCr
_chemical_formula_sum 'Tl2 Zn1 Cr1'
_cell_volume 88.82780100
_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
Tl Tl1 1 1.77069180 1.77069180 1.77069180 1
Tl Tl2 1 5.31207540 5.31207540 5.31207540 1
Zn Zn3 1 3.54138360 3.54138360 3.54138360 1
[/CIF]
| CrTl2Zn | Fm-3m | 225 | cubic | m-3m | 9,835.665165 | false |
[CIF]
data_KTa2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35452311
_cell_length_b 3.35452311
_cell_length_c 9.18304807
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KTa2Br
_chemical_formula_sum 'K1 Ta2 Br1'
_cell_volume 103.33523561
_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 1.67726156 1.67726156 4.41325508 1
K K1 1 0.00000000 0.00000000 6.65479855 1
Ta Ta2 1 1.67726156 1.67726156 0.65179631 1
Ta Ta3 1 0.00000000 0.00000000 2.05472225 1
[/CIF]
| BrKTa2 | P4mm | 99 | tetragonal | 4mm | 7,727.761116 | false |
[CIF]
data_Al3CoMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36371601
_cell_length_b 4.36371601
_cell_length_c 4.36371601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al3CoMo
_chemical_formula_sum 'Al3 Co1 Mo1'
_cell_volume 83.09395626
_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
Mo Mo0 1 2.18185801 2.18185801 2.18185801 1
Co Co1 1 0.00000000 0.00000000 0.00000000 1
Al Al2 1 0.00000000 2.18185801 0.00000000 1
Al Al3 1 0.00000000 0.00000000 2.18185801 1
Al Al4 1 2.18185801 0.00000000 0.00000000 1
[/CIF]
| Al3CoMo | Pm-3m | 221 | cubic | m-3m | 4,712.952853 | false |
[CIF]
data_Co3TeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.69621534
_cell_length_b 8.69621534
_cell_length_c 10.49144301
_cell_angle_alpha 94.42783393
_cell_angle_beta 94.42783393
_cell_angle_gamma 61.82489023
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co3TeO6
_chemical_formula_sum 'Co18 Te6 O36'
_cell_volume 696.55737107
_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
Co Co0 1 7.77037349 -1.38888332 0.39836355 1
Co Co1 1 4.68565699 3.16674618 7.63671023 1
Co Co2 1 11.33891108 1.24684854 5.98163899 1
Co Co3 1 6.67948151 -1.38888332 4.82607645 1
Co Co4 1 8.82012001 3.16674618 8.03660977 1
Co Co5 1 9.85920878 1.82310062 0.54417767 1
Co Co6 1 6.20744251 1.38888332 10.05051645 1
Co Co7 1 4.11860722 -1.82310062 9.90470233 1
Co Co8 1 5.15769599 -3.16674618 2.41227023 1
Co Co9 1 2.63890492 -1.24684854 4.46724101 1
Co Co10 1 6.75288850 -2.79980028 7.83666000 1
Co Co11 1 9.29215901 -3.16674618 2.81216977 1
Co Co12 1 9.38716978 -1.82310062 5.76861767 1
Co Co13 1 4.59064622 1.82310062 4.68026233 1
Co Co14 1 7.29833449 1.38888332 5.62280355 1
Co Co15 1 11.81095008 -1.24684854 0.75719899 1
Co Co16 1 2.16686592 1.24684854 9.69168101 1
Co Co17 1 7.22492750 2.79980028 2.61222000 1
Te Te18 1 4.38400885 -0.00495891 7.32054802 1
Te Te19 1 4.85604785 0.00495891 2.09610802 1
Te Te20 1 9.59380715 0.00495891 3.12833198 1
Te Te21 1 -0.47203900 0.00000000 5.22444000 1
Te Te22 1 9.12176815 -0.00495891 8.35277198 1
Te Te23 1 0.00000000 0.00000000 0.00000000 1
O O24 1 13.08315544 0.12885123 8.73347692 1
O O25 1 10.00702280 1.46312847 9.29135307 1
O O26 1 2.95172496 -0.23151406 8.70096001 1
O O27 1 3.30395565 -1.34756801 6.34431961 1
O O28 1 10.20182135 -1.34756801 9.32900039 1
O O29 1 5.78504389 1.39575878 3.12678554 1
O O30 1 10.47906180 -1.46312847 4.06691307 1
O O31 1 6.31441297 2.98875260 0.65056817 1
O O32 1 8.33186213 1.41362873 7.27168906 1
O O33 1 5.31300489 -1.39575878 8.35122554 1
O O34 1 3.77599465 1.34756801 1.11987961 1
O O35 1 5.83882563 3.02265189 5.91642753 1
O O36 1 3.42376396 0.23151406 3.47652001 1
O O37 1 8.26571070 -0.11474291 4.59294104 1
O O38 1 5.71210530 0.11474291 5.85593896 1
O O39 1 6.31086463 -3.02265189 0.69198753 1
O O40 1 3.97079320 -1.46312847 1.15752693 1
O O41 1 7.79367170 0.11474291 9.81738104 1
O O42 1 7.66340303 -2.98875260 9.79831183 1
O O43 1 7.66695137 3.02265189 9.75689247 1
O O44 1 8.13899037 -3.02265189 4.53245247 1
O O45 1 10.55405204 -0.23151406 6.97235999 1
O O46 1 13.55519444 -0.12885123 3.50903692 1
O O47 1 8.80390113 -1.41362873 2.04724906 1
O O48 1 8.66481111 1.39575878 2.09765446 1
O O49 1 0.89466056 -0.12885123 1.71540308 1
O O50 1 8.19277211 -1.39575878 7.32209446 1
O O51 1 5.64595387 -1.41362873 3.17719094 1
O O52 1 0.42262156 0.12885123 6.93984308 1
O O53 1 8.13544203 2.98875260 4.57387183 1
O O54 1 5.84237397 -2.98875260 5.87500817 1
O O55 1 6.18414430 -0.11474291 0.63149896 1
O O56 1 11.02609104 0.23151406 1.74791999 1
O O57 1 5.17391487 1.41362873 8.40163094 1
O O58 1 10.67386035 1.34756801 4.10456039 1
O O59 1 3.49875420 1.46312847 6.38196693 1
[/CIF]
| Co18O36Te6 | C2/c | 15 | monoclinic | 2/m | 5,727.078941 | true |
[CIF]
data_CaMnCrPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44884967
_cell_length_b 4.44884967
_cell_length_c 4.44884967
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaMnCrPt
_chemical_formula_sum 'Ca1 Mn1 Cr1 Pt1'
_cell_volume 62.26273511
_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
Cr Cr1 1 3.14581177 3.14581177 3.14581177 1
Mn Mn2 1 4.71871766 4.71871766 4.71871766 1
Pt Pt3 1 1.57290589 1.57290589 1.57290589 1
[/CIF]
| CaCrMnPt | F-43m | 216 | cubic | -43m | 9,123.659799 | false |
[CIF]
data_YReNiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54419320
_cell_length_b 4.54419320
_cell_length_c 4.54419320
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YReNiIr
_chemical_formula_sum 'Y1 Re1 Ni1 Ir1'
_cell_volume 66.35220593
_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 3.21322983 3.21322983 3.21322983 1
Ni Ni1 1 0.00000000 0.00000000 0.00000000 1
Re Re2 1 4.81984475 4.81984475 4.81984475 1
Y Y3 1 1.60661491 1.60661491 1.60661491 1
[/CIF]
| IrNiReY | F-43m | 216 | cubic | -43m | 13,164.327309 | false |
[CIF]
data_Fe5Cu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92146320
_cell_length_b 4.92146320
_cell_length_c 4.92146320
_cell_angle_alpha 120.00000000
_cell_angle_beta 120.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe5Cu3
_chemical_formula_sum 'Fe5 Cu3'
_cell_volume 84.28838400
_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 -0.00000000 3.48000000 1
Cu Cu1 1 0.00000000 2.46073160 -0.00000000 1
Cu Cu2 1 2.46073160 -0.00000000 -0.00000000 1
Fe Fe3 1 1.23036580 -1.23036580 1.74000000 1
Fe Fe4 1 1.23036580 1.23036580 -1.74000000 1
Fe Fe5 1 1.23036580 1.23036580 1.74000000 1
Fe Fe6 1 -1.23036580 1.23036580 1.74000000 1
Fe Fe7 1 0.00000000 -0.00000000 -0.00000000 1
[/CIF]
| Cu3Fe5 | I4/mmm | 139 | tetragonal | 4/mmm | 9,256.623872 | false |
[CIF]
data_ZnGaRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90759890
_cell_length_b 4.90759890
_cell_length_c 4.46623697
_cell_angle_alpha 108.47968219
_cell_angle_beta 108.47968219
_cell_angle_gamma 33.94713943
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnGaRu2
_chemical_formula_sum 'Zn1 Ga1 Ru2'
_cell_volume 56.67397216
_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 6.71258760 -0.00000000 0.83059126 1
Ru Ru1 1 9.25711709 -0.00000000 0.22123897 1
Ru Ru2 1 1.37163271 -0.00000000 2.93668731 1
Zn Zn3 1 3.90757394 -0.00000000 2.33224908 1
[/CIF]
| GaRu2Zn | Cm | 8 | monoclinic | m | 9,881.170404 | false |
[CIF]
data_NiMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.83414638
_cell_length_b 8.83414638
_cell_length_c 8.83414638
_cell_angle_alpha 17.53820837
_cell_angle_beta 17.53820837
_cell_angle_gamma 17.53820837
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiMo
_chemical_formula_sum 'Ni2 Mo2'
_cell_volume 54.64120226
_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
Mo Mo0 1 -0.00000000 0.00000000 3.10000088 1
Mo Mo1 1 -0.00000000 0.00000000 22.98856200 1
Ni Ni2 1 0.00000000 0.00000000 16.40124066 1
Ni Ni3 1 -0.00000000 0.00000000 9.68732222 1
[/CIF]
| Mo2Ni2 | R-3m | 166 | trigonal | -3m | 9,399.79363 | false |
[CIF]
data_BPb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21458397
_cell_length_b 6.77947027
_cell_length_c 6.57706447
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BPb3
_chemical_formula_sum 'B2 Pb6'
_cell_volume 232.51315263
_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 3.14695257 1
B B1 1 2.60729198 3.38973514 3.43011190 1
Pb Pb2 1 2.60729198 0.00000000 2.44877712 1
Pb Pb3 1 0.00000000 3.38973514 4.12828735 1
Pb Pb4 1 0.00000000 1.77156826 1.07581195 1
Pb Pb5 1 0.00000000 5.00790201 1.07581195 1
Pb Pb6 1 2.60729198 5.16130339 5.50125252 1
Pb Pb7 1 2.60729198 1.61816688 5.50125252 1
[/CIF]
| B2Pb6 | Pmmn | 59 | orthorhombic | mmm | 9,032.978649 | false |
[CIF]
data_ReTe2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90264624
_cell_length_b 4.90264624
_cell_length_c 3.42716581
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReTe2Au
_chemical_formula_sum 'Re1 Te2 Au1'
_cell_volume 82.37515231
_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 2.45132312 2.45132312 0.00000000 1
Re Re1 1 0.00000000 0.00000000 0.00000000 1
Te Te2 1 0.00000000 2.45132312 1.71358290 1
Te Te3 1 2.45132312 0.00000000 1.71358290 1
[/CIF]
| AuReTe2 | P4/mmm | 123 | tetragonal | 4/mmm | 12,868.49518 | false |
[CIF]
data_K3NiBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20016261
_cell_length_b 6.20016261
_cell_length_c 6.20016261
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K3NiBr
_chemical_formula_sum 'K3 Ni1 Br1'
_cell_volume 238.34675268
_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 0.00000000 0.00000000 0.00000000 1
K K1 1 3.10008131 0.00000000 3.10008131 1
K K2 1 3.10008131 3.10008131 0.00000000 1
K K3 1 0.00000000 3.10008131 3.10008131 1
Br Br4 1 3.10008131 3.10008131 3.10008131 1
[/CIF]
| BrK3Ni | Pm-3m | 221 | cubic | m-3m | 1,782.777219 | false |
[CIF]
data_HfZr4Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65331658
_cell_length_b 5.65331658
_cell_length_c 5.65331658
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfZr4Ir
_chemical_formula_sum 'Hf1 Zr4 Ir1'
_cell_volume 127.76000519
_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
Hf Hf0 1 0.00000000 0.00000000 0.00000000 1
Ir Ir1 1 1.99874924 1.99874925 1.99874925 1
Zr Zr2 1 2.99735416 2.99735416 4.99764282 1
Zr Zr3 1 2.99735416 4.99764282 2.99735416 1
Zr Zr4 1 4.99764282 2.99735416 2.99735416 1
Zr Zr5 1 4.99764282 4.99764282 4.99764282 1
[/CIF]
| HfIrZr4 | F-43m | 216 | cubic | -43m | 9,560.875621 | false |
[CIF]
data_LaHfTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57457675
_cell_length_b 3.57457675
_cell_length_c 8.84232574
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaHfTl2
_chemical_formula_sum 'La1 Hf1 Tl2'
_cell_volume 112.98369202
_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
Hf Hf0 1 1.78728837 1.78728837 4.19976527 1
La La1 1 0.00000000 0.00000000 6.45758285 1
Tl Tl2 1 1.78728837 1.78728837 0.23165054 1
Tl Tl3 1 0.00000000 0.00000000 2.37448995 1
[/CIF]
| HfLaTl2 | P4mm | 99 | tetragonal | 4mm | 10,672.517993 | false |
[CIF]
data_VIn2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19245554
_cell_length_b 3.19245554
_cell_length_c 9.24474906
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VIn2Br
_chemical_formula_sum 'V1 In2 Br1'
_cell_volume 94.22037808
_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 1.59622777 1.59622777 6.14636106 1
In In1 1 0.00000000 0.00000000 0.24261198 1
In In2 1 1.59622777 1.59622777 2.76067381 1
V V3 1 0.00000000 0.00000000 4.71747674 1
[/CIF]
| BrIn2V | P4mm | 99 | tetragonal | 4mm | 6,353.122602 | false |
[CIF]
data_Ta2ZnRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15558724
_cell_length_b 3.15558724
_cell_length_c 6.53008885
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2ZnRu
_chemical_formula_sum 'Ta2 Zn1 Ru1'
_cell_volume 65.02486706
_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
Ru Ru0 1 1.57779362 1.57779362 4.88035443 1
Ta Ta1 1 0.00000000 0.00000000 6.33934025 1
Ta Ta2 1 1.57779362 1.57779362 1.71017653 1
Zn Zn3 1 0.00000000 0.00000000 3.39535091 1
[/CIF]
| RuTa2Zn | P4mm | 99 | tetragonal | 4mm | 13,492.357844 | false |
[CIF]
data_TcP2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44907612
_cell_length_b 4.44907612
_cell_length_c 4.44907612
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcP2Br
_chemical_formula_sum 'Tc1 P2 Br1'
_cell_volume 62.27224315
_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 3.14597189 3.14597189 3.14597189 1
P P1 1 4.71895784 4.71895784 4.71895784 1
P P2 1 0.00000000 0.00000000 0.00000000 1
Tc Tc3 1 1.57298595 1.57298595 1.57298595 1
[/CIF]
| BrP2Tc | F-43m | 216 | cubic | -43m | 6,419.997871 | false |
[CIF]
data_CdAgBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66315315
_cell_length_b 5.66315315
_cell_length_c 5.66315315
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdAgBi3
_chemical_formula_sum 'Cd1 Ag1 Bi3'
_cell_volume 181.62470401
_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 2.83157658 0.00000000 2.83157658 1
Bi Bi1 1 2.83157658 2.83157658 0.00000000 1
Bi Bi2 1 0.00000000 2.83157658 2.83157658 1
Ag Ag3 1 0.00000000 0.00000000 0.00000000 1
Cd Cd4 1 2.83157658 2.83157658 2.83157658 1
[/CIF]
| AgBi3Cd | Pm-3m | 221 | cubic | m-3m | 7,745.876751 | false |
[CIF]
data_FeRe2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79379839
_cell_length_b 4.79379839
_cell_length_c 4.79379839
_cell_angle_alpha 132.18491060
_cell_angle_beta 132.18491060
_cell_angle_gamma 69.93713703
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeRe2Br
_chemical_formula_sum 'Fe1 Re2 Br1'
_cell_volume 59.30649231
_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 3.92835755 1
Fe Fe1 1 0.00000000 0.00000000 0.00000000 1
Re Re2 1 1.94274419 0.00000000 1.96417878 1
Re Re3 1 0.00000000 1.94274419 1.96417877 1
[/CIF]
| BrFeRe2 | I4/mmm | 139 | tetragonal | 4/mmm | 14,228.197974 | false |
[CIF]
data_ZrMnCdIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62739403
_cell_length_b 4.62739403
_cell_length_c 4.62739403
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrMnCdIr
_chemical_formula_sum 'Zr1 Mn1 Cd1 Ir1'
_cell_volume 70.06392273
_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 4.90809255 4.90809255 4.90809255 1
Ir Ir1 1 3.27206170 3.27206170 3.27206170 1
Mn Mn2 1 0.00000000 0.00000000 0.00000000 1
Zr Zr3 1 1.63603085 1.63603085 1.63603085 1
[/CIF]
| CdIrMnZr | F-43m | 216 | cubic | -43m | 10,683.879113 | false |
[CIF]
data_LaHfAlMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97578061
_cell_length_b 4.97578061
_cell_length_c 4.97578061
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaHfAlMo
_chemical_formula_sum 'La1 Hf1 Al1 Mo1'
_cell_volume 87.11013202
_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
Hf Hf1 1 5.27761231 5.27761231 5.27761231 1
La La2 1 1.75920411 1.75920411 1.75920411 1
Mo Mo3 1 3.51840821 3.51840821 3.51840821 1
[/CIF]
| AlHfLaMo | F-43m | 216 | cubic | -43m | 8,393.935221 | false |
[CIF]
data_CsSbN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32544880
_cell_length_b 4.32544880
_cell_length_c 4.32544880
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CsSbN3
_chemical_formula_sum 'Cs1 Sb1 N3'
_cell_volume 80.92701599
_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
Cs Cs0 1 2.16272440 2.16272440 2.16272440 1
Sb Sb1 1 0.00000000 0.00000000 0.00000000 1
N N2 1 0.00000000 2.16272440 0.00000000 1
N N3 1 0.00000000 0.00000000 2.16272440 1
N N4 1 2.16272440 0.00000000 0.00000000 1
[/CIF]
| CsN3Sb | Pm-3m | 221 | cubic | m-3m | 6,087.682134 | false |
[CIF]
data_BeCoRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98221839
_cell_length_b 4.98221839
_cell_length_c 4.98221839
_cell_angle_alpha 148.92799804
_cell_angle_beta 148.92799804
_cell_angle_gamma 44.51730014
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeCoRe
_chemical_formula_sum 'Be1 Co1 Re1'
_cell_volume 32.84430606
_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 0.14092422 1
Co Co1 1 0.00000000 0.00000000 5.98617576 1
Re Re2 1 -0.00000000 0.00000000 3.09482023 1
[/CIF]
| BeCoRe | I4mm | 107 | tetragonal | 4mm | 12,849.409884 | false |
[CIF]
data_HfCrMo4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24824251
_cell_length_b 5.24824251
_cell_length_c 5.24824251
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfCrMo4
_chemical_formula_sum 'Hf1 Cr1 Mo4'
_cell_volume 102.21783700
_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
Hf Hf1 1 5.56660181 5.56660181 5.56660181 1
Mo Mo2 1 4.63962277 2.78251297 4.63962277 1
Mo Mo3 1 2.78251297 4.63962277 4.63962277 1
Mo Mo4 1 2.78251297 2.78251297 2.78251297 1
Mo Mo5 1 4.63962277 4.63962277 2.78251297 1
[/CIF]
| CrHfMo4 | F-43m | 216 | cubic | -43m | 9,979.789424 | false |
[CIF]
data_Co4C3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92219028
_cell_length_b 3.92219028
_cell_length_c 3.92219028
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co4C3
_chemical_formula_sum 'Co4 C3'
_cell_volume 60.33731458
_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
C C0 1 0.00000000 1.96109514 0.00000000 1
C C1 1 0.00000000 0.00000000 1.96109514 1
C C2 1 1.96109514 0.00000000 0.00000000 1
Co Co3 1 0.00000000 0.00000000 0.00000000 1
Co Co4 1 0.00000000 1.96109514 1.96109514 1
Co Co5 1 1.96109514 0.00000000 1.96109514 1
Co Co6 1 1.96109514 1.96109514 0.00000000 1
[/CIF]
| C3Co4 | Pm-3m | 221 | cubic | m-3m | 7,479.222489 | false |
[CIF]
data_MgHgRhPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91703302
_cell_length_b 4.91703302
_cell_length_c 4.91703302
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgHgRhPb
_chemical_formula_sum 'Mg1 Hg1 Rh1 Pb1'
_cell_volume 84.06096588
_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 3.47686739 3.47686739 3.47686739 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Pb Pb2 1 5.21530109 5.21530109 5.21530109 1
Rh Rh3 1 1.73843370 1.73843370 1.73843370 1
[/CIF]
| HgMgPbRh | F-43m | 216 | cubic | -43m | 10,568.3919 | false |
[CIF]
data_ZnSiPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38788407
_cell_length_b 3.38788407
_cell_length_c 8.82556903
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 105.68106165
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnSiPb2
_chemical_formula_sum 'Zn1 Si1 Pb2'
_cell_volume 97.52756241
_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
Pb Pb0 1 0.00000000 0.00000000 0.39248047 1
Pb Pb1 1 2.04640225 0.00000000 6.27010654 1
Si Si2 1 0.00000000 0.00000000 4.01084674 1
Zn Zn3 1 2.04640225 0.00000000 2.56491979 1
[/CIF]
| Pb2SiZn | Cmm2 | 35 | orthorhombic | mm2 | 8,647.099164 | false |
[CIF]
data_LaYRePb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15027195
_cell_length_b 5.15027195
_cell_length_c 5.15027195
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaYRePb
_chemical_formula_sum 'La1 Y1 Re1 Pb1'
_cell_volume 96.59963535
_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
La La0 1 5.46268833 5.46268833 5.46268833 1
Pb Pb1 1 3.64179222 3.64179222 3.64179222 1
Re Re2 1 1.82089611 1.82089611 1.82089611 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| LaPbReY | F-43m | 216 | cubic | -43m | 10,678.687197 | false |
[CIF]
data_PbBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84709271
_cell_length_b 7.84709271
_cell_length_c 7.96826058
_cell_angle_alpha 111.62960962
_cell_angle_beta 111.62960962
_cell_angle_gamma 31.94439235
_symmetry_Int_Tables_number 1
_chemical_formula_structural PbBr2
_chemical_formula_sum 'Pb2 Br4'
_cell_volume 239.76730303
_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
Br Br0 1 0.44354535 -0.00000000 3.75817931 1
Br Br1 1 5.50029795 0.00000000 0.22992877 1
Br Br2 1 6.53293775 0.00000000 7.12939569 1
Br Br3 1 11.58969036 0.00000000 3.60114516 1
Pb Pb4 1 9.13217591 0.00000000 5.56406708 1
Pb Pb5 1 2.90105980 0.00000000 1.79525738 1
[/CIF]
| Br4Pb2 | C2/m | 12 | monoclinic | 2/m | 5,083.521515 | false |
[CIF]
data_BiW2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85337648
_cell_length_b 4.85337648
_cell_length_c 4.85337648
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BiW2Br
_chemical_formula_sum 'Bi1 W2 Br1'
_cell_volume 80.83825785
_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 5.14778313 5.14778313 5.14778313 1
Br Br1 1 0.00000000 0.00000000 0.00000000 1
W W2 1 1.71592771 1.71592771 1.71592771 1
W W3 1 3.43185542 3.43185542 3.43185542 1
[/CIF]
| BiBrW2 | F-43m | 216 | cubic | -43m | 13,486.817566 | false |
[CIF]
data_BaNbBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59757700
_cell_length_b 5.59757700
_cell_length_c 5.59757700
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaNbBr2
_chemical_formula_sum 'Ba1 Nb1 Br2'
_cell_volume 124.01814498
_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 3.95808465 3.95808465 3.95808465 1
Br Br1 1 5.93712698 5.93712698 5.93712698 1
Br Br2 1 1.97904233 1.97904233 1.97904233 1
Nb Nb3 1 -0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaBr2Nb | Fm-3m | 225 | cubic | m-3m | 5,222.485522 | false |
[CIF]
data_CaMgMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97860638
_cell_length_b 4.97860638
_cell_length_c 4.97860638
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaMgMo
_chemical_formula_sum 'Ca1 Mg1 Mo1'
_cell_volume 87.25862703
_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 3.52040633 3.52040633 3.52040633 1
Mg Mg1 1 0.00000000 -0.00000000 0.00000000 1
Mo Mo2 1 5.28060949 5.28060949 5.28060950 1
[/CIF]
| CaMgMo | F-43m | 216 | cubic | -43m | 3,051.340877 | false |
[CIF]
data_LaSbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17756545
_cell_length_b 5.17756545
_cell_length_c 5.17756545
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaSbAu
_chemical_formula_sum 'La1 Sb1 Au1'
_cell_volume 98.14355721
_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 3.66109164 3.66109164 3.66109164 1
La La1 1 1.83054582 1.83054582 1.83054582 1
Sb Sb2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuLaSb | F-43m | 216 | cubic | -43m | 7,742.901322 | false |
[CIF]
data_SiTc2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.73526033
_cell_length_b 2.73526033
_cell_length_c 8.80952685
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 110.91300771
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiTc2Ag
_chemical_formula_sum 'Si1 Tc2 Ag1'
_cell_volume 61.56787950
_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 1.55097934 0.00000000 4.32410578 1
Si Si1 1 0.00000000 0.00000000 2.00313224 1
Tc Tc2 1 1.55097934 0.00000000 0.09174514 1
Tc Tc3 1 0.00000000 0.00000000 6.79530720 1
[/CIF]
| AgSiTc2 | Cmm2 | 35 | orthorhombic | mm2 | 9,001.960968 | false |
[CIF]
data_TaWBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61303958
_cell_length_b 4.61303958
_cell_length_c 3.25518455
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaWBr2
_chemical_formula_sum 'Ta1 W1 Br2'
_cell_volume 69.27076396
_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 2.30651979 0.00000000 1.62759228 1
Br Br1 1 0.00000000 2.30651979 1.62759228 1
Ta Ta2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 2.30651979 2.30651979 0.00000000 1
[/CIF]
| Br2TaW | P4/mmm | 123 | tetragonal | 4/mmm | 12,575.463343 | false |
[CIF]
data_HfNi2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26007146
_cell_length_b 3.26007146
_cell_length_c 5.68988860
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfNi2Se
_chemical_formula_sum 'Hf1 Ni2 Se1'
_cell_volume 60.47251114
_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
Hf Hf0 1 1.63003573 1.63003573 4.42807097 1
Ni Ni1 1 0.00000000 0.00000000 0.16921205 1
Ni Ni2 1 1.63003573 1.63003573 1.30968376 1
Se Se3 1 0.00000000 0.00000000 2.62786606 1
[/CIF]
| HfNi2Se | P4mm | 99 | tetragonal | 4mm | 10,292.794829 | false |
[CIF]
data_TiAuCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50235040
_cell_length_b 4.50235040
_cell_length_c 4.50235040
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAuCl
_chemical_formula_sum 'Ti1 Au1 Cl1'
_cell_volume 64.53612375
_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 3.18364250 3.18364250 3.18364250 1
Cl Cl1 1 0.00000000 0.00000000 0.00000000 1
Ti Ti2 1 4.77546375 4.77546375 4.77546375 1
[/CIF]
| AuClTi | F-43m | 216 | cubic | -43m | 7,211.880272 | false |
[CIF]
data_BiRu2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92649568
_cell_length_b 4.92649568
_cell_length_c 5.08861340
_cell_angle_alpha 99.86956807
_cell_angle_beta 99.86956807
_cell_angle_gamma 36.91155133
_symmetry_Int_Tables_number 1
_chemical_formula_structural BiRu2Au
_chemical_formula_sum 'Bi1 Ru2 Au1'
_cell_volume 72.95228025
_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 4.26865295 0.00000000 2.62853232 1
Bi Bi1 1 6.73029402 -0.00000000 1.17614446 1
Ru Ru2 1 8.36466586 0.00000000 4.83182276 1
Ru Ru3 1 1.70319974 0.00000000 3.87561648 1
[/CIF]
| AuBiRu2 | Cm | 8 | monoclinic | m | 13,841.269451 | false |
[CIF]
data_Y2NbCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29087796
_cell_length_b 5.13257197
_cell_length_c 5.78236708
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2NbCl
_chemical_formula_sum 'Y2 Nb1 Cl1'
_cell_volume 97.66804245
_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
Nb Nb1 1 1.64543898 2.56628599 2.89118354 1
Y Y2 1 0.00000000 0.00000000 2.89118354 1
Y Y3 1 1.64543898 2.56628599 0.00000000 1
[/CIF]
| ClNbY2 | Pmmm | 47 | orthorhombic | mmm | 5,205.479977 | false |
[CIF]
data_As3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51803208
_cell_length_b 4.51803208
_cell_length_c 4.51803208
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural As3Ru
_chemical_formula_sum 'As3 Ru1'
_cell_volume 70.99471826
_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 2.60848704 -0.00000000 1
As As1 1 2.60848704 0.00000000 0.00000000 1
As As2 1 0.00000000 0.00000000 2.60848704 1
Ru Ru3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| As3Ru | Im-3m | 229 | cubic | m-3m | 7,621.815057 | false |
[CIF]
data_ReSnHgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69925216
_cell_length_b 4.69925216
_cell_length_c 4.69925216
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReSnHgPt
_chemical_formula_sum 'Re1 Sn1 Hg1 Pt1'
_cell_volume 73.37890924
_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 4.98430961 4.98430961 4.98430961 1
Pt Pt1 1 3.32287307 3.32287307 3.32287307 1
Re Re2 1 1.66143654 1.66143654 1.66143654 1
Sn Sn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HgPtReSn | F-43m | 216 | cubic | -43m | 15,854.12944 | false |
[CIF]
data_MgTa2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51005299
_cell_length_b 3.51005299
_cell_length_c 6.29136640
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgTa2Sb
_chemical_formula_sum 'Mg1 Ta2 Sb1'
_cell_volume 77.51260353
_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
Sb Sb1 1 0.00000000 0.00000000 3.14568320 1
Ta Ta2 1 1.75502650 1.75502650 4.57269376 1
Ta Ta3 1 1.75502650 1.75502650 1.71867264 1
[/CIF]
| MgSbTa2 | P4/mmm | 123 | tetragonal | 4/mmm | 10,881.955294 | false |
[CIF]
data_Ta2CdRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30954665
_cell_length_b 5.30954665
_cell_length_c 4.80229365
_cell_angle_alpha 110.41049476
_cell_angle_beta 110.41049476
_cell_angle_gamma 34.02760938
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2CdRu
_chemical_formula_sum 'Ta2 Cd1 Ru1'
_cell_volume 70.54112828
_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 4.12710882 0.00000000 2.11943507 1
Ru Ru1 1 7.02223398 0.00000000 1.16022508 1
Ta Ta2 1 0.15466642 0.00000000 0.00161444 1
Ta Ta3 1 1.30036931 0.00000000 3.42601450 1
[/CIF]
| CdRuTa2 | Cm | 8 | monoclinic | m | 13,544.376328 | false |
[CIF]
data_AsIr4Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29988512
_cell_length_b 5.29988512
_cell_length_c 5.29988512
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AsIr4Br
_chemical_formula_sum 'As1 Ir4 Br1'
_cell_volume 105.26509113
_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
Br Br1 1 1.87379235 1.87379235 1.87379235 1
Ir Ir2 1 2.80732710 2.80732710 4.68784232 1
Ir Ir3 1 2.80732710 4.68784232 2.80732710 1
Ir Ir4 1 4.68784232 2.80732710 2.80732710 1
Ir Ir5 1 4.68784232 4.68784232 4.68784232 1
[/CIF]
| AsBrIr4 | F-43m | 216 | cubic | -43m | 14,571.11082 | false |
[CIF]
data_BaZnSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31986064
_cell_length_b 5.31986064
_cell_length_c 5.31986064
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaZnSn
_chemical_formula_sum 'Ba1 Zn1 Sn1'
_cell_volume 106.45982985
_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 3.76170953 3.76170953 3.76170953 1
Sn Sn1 1 5.64256430 5.64256430 5.64256430 1
Zn Zn2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaSnZn | F-43m | 216 | cubic | -43m | 5,013.397879 | false |
[CIF]
data_Na2MoW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68611166
_cell_length_b 4.68611166
_cell_length_c 4.68611166
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2MoW
_chemical_formula_sum 'Na2 Mo1 W1'
_cell_volume 72.76506127
_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
Mo Mo0 1 0.00000000 0.00000000 0.00000000 1
Na Na1 1 4.97037200 4.97037200 4.97037200 1
Na Na2 1 1.65679067 1.65679066 1.65679067 1
W W3 1 3.31358133 3.31358133 3.31358133 1
[/CIF]
| MoNa2W | Fm-3m | 225 | cubic | m-3m | 7,434.469805 | false |
[CIF]
data_SiIr2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91182476
_cell_length_b 2.91182476
_cell_length_c 8.54828256
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 121.02271667
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiIr2Cl
_chemical_formula_sum 'Si1 Ir2 Cl1'
_cell_volume 62.11141516
_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 4.27414128 1
Ir Ir1 1 1.43334868 -0.00000000 6.69590614 1
Ir Ir2 1 1.43334868 -0.00000000 1.85237642 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| ClIr2Si | Cmmm | 65 | orthorhombic | mmm | 11,976.475421 | false |
[CIF]
data_Sc2SbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94038301
_cell_length_b 3.94038301
_cell_length_c 5.90218579
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2SbPt
_chemical_formula_sum 'Sc2 Sb1 Pt1'
_cell_volume 91.64098569
_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 1.97019151 1.97019151 2.35962612 1
Sb Sb1 1 0.00000000 0.00000000 4.81828195 1
Sc Sc2 1 1.97019151 1.97019151 5.66516688 1
Sc Sc3 1 0.00000000 0.00000000 1.91238959 1
[/CIF]
| PtSbSc2 | P4mm | 99 | tetragonal | 4mm | 7,370.435087 | false |
[CIF]
data_La2ScPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80353530
_cell_length_b 3.80353530
_cell_length_c 7.61687391
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2ScPt
_chemical_formula_sum 'La2 Sc1 Pt1'
_cell_volume 110.19240676
_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
La La0 1 1.90176765 1.90176765 2.15282441 1
La La1 1 1.90176765 1.90176765 5.46404950 1
Pt Pt2 1 0.00000000 0.00000000 3.80843695 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| La2PtSc | P4/mmm | 123 | tetragonal | 4/mmm | 7,803.728004 | false |
[CIF]
data_Ta2TcRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39403721
_cell_length_b 4.15816969
_cell_length_c 4.62829609
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2TcRh
_chemical_formula_sum 'Ta2 Tc1 Rh1'
_cell_volume 65.31906243
_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 1.69701861 0.00000000 2.31414805 1
Ta Ta1 1 1.69701861 2.07908485 0.00000000 1
Ta Ta2 1 0.00000000 2.07908485 2.31414805 1
Tc Tc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| RhTa2Tc | Pmmm | 47 | orthorhombic | mmm | 14,330.552592 | false |
[CIF]
data_LiNbCrGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33742552
_cell_length_b 4.33742552
_cell_length_c 4.33742552
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiNbCrGa
_chemical_formula_sum 'Li1 Nb1 Cr1 Ga1'
_cell_volume 57.70070163
_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 3.06702300 3.06702300 3.06702300 1
Ga Ga1 1 1.53351150 1.53351150 1.53351150 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Nb Nb3 1 4.60053450 4.60053450 4.60053450 1
[/CIF]
| CrGaLiNb | F-43m | 216 | cubic | -43m | 6,376.348736 | false |
[CIF]
data_Nb2BP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12435219
_cell_length_b 6.12435219
_cell_length_c 6.12435219
_cell_angle_alpha 31.92993954
_cell_angle_beta 31.92993954
_cell_angle_gamma 31.92993954
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2BP
_chemical_formula_sum 'Nb2 B1 P1'
_cell_volume 57.08269026
_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
Nb Nb1 1 0.00000000 0.00000000 4.58515104 1
Nb Nb2 1 -0.00000000 -0.00000000 12.83663707 1
P P3 1 -0.00000000 -0.00000000 8.71089405 1
[/CIF]
| BNb2P | R-3m | 166 | trigonal | -3m | 6,618.784016 | false |
[CIF]
data_TaCuB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82354183
_cell_length_b 2.82354183
_cell_length_c 5.28837712
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaCuB2
_chemical_formula_sum 'Ta1 Cu1 B2'
_cell_volume 42.16099675
_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 1.41177091 1.41177091 4.35026598 1
B B1 1 1.41177091 1.41177091 0.93811114 1
Cu Cu2 1 0.00000000 0.00000000 0.00000000 1
Ta Ta3 1 0.00000000 0.00000000 2.64418856 1
[/CIF]
| B2CuTa | P4/mmm | 123 | tetragonal | 4/mmm | 10,481.151989 | false |
[CIF]
data_MgScMnNb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74333050
_cell_length_b 4.74333050
_cell_length_c 4.74333050
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgScMnNb
_chemical_formula_sum 'Mg1 Sc1 Mn1 Nb1'
_cell_volume 75.46318989
_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
Mn Mn1 1 1.67702058 1.67702058 1.67702058 1
Nb Nb2 1 5.03106174 5.03106174 5.03106174 1
Sc Sc3 1 3.35404116 3.35404116 3.35404116 1
[/CIF]
| MgMnNbSc | F-43m | 216 | cubic | -43m | 4,777.321157 | false |
[CIF]
data_ZnBi2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.71029838
_cell_length_b 10.71029838
_cell_length_c 10.71029838
_cell_angle_alpha 19.03329545
_cell_angle_beta 19.03329545
_cell_angle_gamma 19.03329545
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnBi2Pb
_chemical_formula_sum 'Zn1 Bi2 Pb1'
_cell_volume 114.19795937
_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 0.40923267 1
Bi Bi1 1 -0.00000000 0.00000000 7.79260083 1
Pb Pb2 1 -0.00000000 0.00000000 15.45166763 1
Zn Zn3 1 -0.00000000 -0.00000000 23.65637883 1
[/CIF]
| Bi2PbZn | R3m | 160 | trigonal | 3m | 10,041.072374 | false |
[CIF]
data_BaCd4Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85731213
_cell_length_b 5.85731213
_cell_length_c 5.85731213
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaCd4Ir
_chemical_formula_sum 'Ba1 Cd4 Ir1'
_cell_volume 142.09542864
_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 0.00000000 1
Cd Cd1 1 5.16511220 5.16511220 3.11837806 1
Cd Cd2 1 5.16511220 3.11837806 5.16511220 1
Cd Cd3 1 3.11837806 5.16511220 5.16511220 1
Cd Cd4 1 3.11837806 3.11837806 3.11837806 1
Ir Ir5 1 6.21261770 6.21261770 6.21261770 1
[/CIF]
| BaCd4Ir | F-43m | 216 | cubic | -43m | 9,105.656154 | false |
[CIF]
data_MnNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36858970
_cell_length_b 4.36858970
_cell_length_c 4.36858970
_cell_angle_alpha 131.81136658
_cell_angle_beta 131.81136658
_cell_angle_gamma 70.52711651
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnNi3
_chemical_formula_sum 'Mn1 Ni3'
_cell_volume 45.38094289
_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 0.00000000 0.00000000 0.00000000 1
Ni Ni1 1 -0.00000000 1.78343268 1.78348758 1
Ni Ni2 1 0.00000000 0.00000000 3.56697515 1
Ni Ni3 1 1.78343268 -0.00000000 1.78348758 1
[/CIF]
| MnNi3 | I4/mmm | 139 | tetragonal | 4/mmm | 8,453.214105 | false |
[CIF]
data_Co4Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91373127
_cell_length_b 6.91373127
_cell_length_c 6.91373127
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co4Mo
_chemical_formula_sum 'Co16 Mo4'
_cell_volume 254.39911379
_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
Co Co0 1 -1.27505347 1.27505347 1.27505347 1
Co Co1 1 2.71659114 2.71659114 2.71659114 1
Co Co2 1 1.27505347 1.27505347 -1.27505347 1
Co Co3 1 1.27505347 -1.27505347 1.27505347 1
Co Co4 1 0.00000000 -0.00000000 2.79831475 1
Co Co5 1 0.00000000 -0.00000000 5.18497447 1
Co Co6 1 0.00000000 2.79831475 -0.00000000 1
Co Co7 1 0.00000000 5.18497447 -0.00000000 1
Co Co8 1 5.18497447 0.00000000 -0.00000000 1
Co Co9 1 2.79831475 0.00000000 0.00000000 1
Co Co10 1 -0.00000000 3.99164461 1.99582231 1
Co Co11 1 3.99164461 0.00000000 1.99582231 1
Co Co12 1 3.99164461 1.99582231 0.00000000 1
Co Co13 1 0.00000000 1.99582231 3.99164461 1
Co Co14 1 1.99582231 3.99164461 0.00000000 1
Co Co15 1 1.99582231 0.00000000 3.99164461 1
Mo Mo16 1 -2.57218653 2.57218653 2.57218653 1
Mo Mo17 1 1.41945808 1.41945808 1.41945808 1
Mo Mo18 1 2.57218653 2.57218653 -2.57218653 1
Mo Mo19 1 2.57218653 -2.57218653 2.57218653 1
[/CIF]
| Co16Mo4 | I-43m | 217 | cubic | -43m | 8,660.23173 | false |
[CIF]
data_Re2TcBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26722539
_cell_length_b 5.26722539
_cell_length_c 4.37973355
_cell_angle_alpha 93.10296789
_cell_angle_beta 93.10296789
_cell_angle_gamma 32.56165430
_symmetry_Int_Tables_number 1
_chemical_formula_structural Re2TcBr
_chemical_formula_sum 'Re2 Tc1 Br1'
_cell_volume 65.29336843
_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
Re Re1 1 7.86436748 0.00000000 1.23237646 1
Re Re2 1 2.00066146 0.00000000 3.14038766 1
Tc Tc3 1 4.93251447 -0.00000000 2.18638206 1
[/CIF]
| BrRe2Tc | C2/m | 12 | monoclinic | 2/m | 14,018.717989 | false |
[CIF]
data_CrCo2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17039577
_cell_length_b 4.17039577
_cell_length_c 4.17039577
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrCo2Au
_chemical_formula_sum 'Cr1 Co2 Au1'
_cell_volume 51.28812434
_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 2.94891513 2.94891513 2.94891513 1
Co Co1 1 1.47445757 1.47445757 1.47445756 1
Co Co2 1 4.42337270 4.42337270 4.42337270 1
Cr Cr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuCo2Cr | Fm-3m | 225 | cubic | m-3m | 11,876.706178 | false |
[CIF]
data_VIrOsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38088773
_cell_length_b 4.38088773
_cell_length_c 4.38088773
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VIrOsPt
_chemical_formula_sum 'V1 Ir1 Os1 Pt1'
_cell_volume 59.45267120
_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 4.64663313 4.64663313 4.64663313 1
Os Os1 1 3.09775542 3.09775542 3.09775542 1
Pt Pt2 1 1.54887771 1.54887771 1.54887771 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| IrOsPtV | F-43m | 216 | cubic | -43m | 17,553.511346 | false |
[CIF]
data_HfCrPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11772655
_cell_length_b 5.11772655
_cell_length_c 5.11772655
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfCrPb2
_chemical_formula_sum 'Hf1 Cr1 Pb2'
_cell_volume 94.77989733
_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
Hf Hf1 1 1.80938958 1.80938958 1.80938957 1
Pb Pb2 1 3.61877915 3.61877915 3.61877915 1
Pb Pb3 1 5.42816872 5.42816872 5.42816872 1
[/CIF]
| CrHfPb2 | F-43m | 216 | cubic | -43m | 11,298.372258 | false |
[CIF]
data_AlTl2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50098448
_cell_length_b 5.50098448
_cell_length_c 5.20692264
_cell_angle_alpha 96.62791284
_cell_angle_beta 96.62791284
_cell_angle_gamma 31.66486481
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlTl2W
_chemical_formula_sum 'Al1 Tl2 W1'
_cell_volume 82.11671324
_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
Tl Tl1 1 7.87156358 0.00000000 1.31933657 1
Tl Tl2 1 2.08834461 -0.00000000 3.84997766 1
W W3 1 4.97995409 -0.00000000 2.58465712 1
[/CIF]
| AlTl2W | C2/m | 12 | monoclinic | 2/m | 12,529.121889 | false |
[CIF]
data_SrCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87095235
_cell_length_b 3.87095235
_cell_length_c 5.19358054
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrCr
_chemical_formula_sum 'Sr1 Cr1'
_cell_volume 67.39584958
_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
Sr Sr1 1 0.00000000 2.23489538 2.59679027 1
[/CIF]
| CrSr | P-6m2 | 187 | hexagonal | -6m2 | 3,439.944597 | false |
[CIF]
data_AlB2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88611383
_cell_length_b 2.88611383
_cell_length_c 4.73886904
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlB2Ru
_chemical_formula_sum 'Al1 B2 Ru1'
_cell_volume 39.47313477
_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
B B1 1 1.44305691 1.44305691 1.06204789 1
B B2 1 1.44305691 1.44305691 3.67682115 1
Ru Ru3 1 0.00000000 0.00000000 2.36943452 1
[/CIF]
| AlB2Ru | P4/mmm | 123 | tetragonal | 4/mmm | 6,296.405974 | false |
[CIF]
data_In2PdRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10977038
_cell_length_b 4.23425554
_cell_length_c 5.60627659
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural In2PdRh
_chemical_formula_sum 'In2 Pd1 Rh1'
_cell_volume 73.82099716
_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 1.55488519 2.11712777 5.28663989 1
In In1 1 0.00000000 0.00000000 1.68486075 1
Pd Pd2 1 1.55488519 2.11712777 2.58254729 1
Rh Rh3 1 0.00000000 0.00000000 4.46164355 1
[/CIF]
| In2PdRh | Pmm2 | 25 | orthorhombic | mm2 | 9,874.056806 | false |
[CIF]
data_KLaNbIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00963083
_cell_length_b 6.00963083
_cell_length_c 6.00963083
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KLaNbIn
_chemical_formula_sum 'K1 La1 Nb1 In1'
_cell_volume 153.47172839
_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 2.12472535 2.12472535 2.12472535 1
K K1 1 0.00000000 0.00000000 0.00000000 1
La La2 1 4.24945071 4.24945071 4.24945071 1
Nb Nb3 1 6.37417606 6.37417607 6.37417606 1
[/CIF]
| InKLaNb | F-43m | 216 | cubic | -43m | 4,173.515662 | false |
[CIF]
data_BaCo2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85131449
_cell_length_b 4.85131449
_cell_length_c 3.48640482
_cell_angle_alpha 92.06883588
_cell_angle_beta 92.06883588
_cell_angle_gamma 90.44276072
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaCo2Sb
_chemical_formula_sum 'Ba1 Co2 Sb1'
_cell_volume 81.94313299
_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 3.41711738 0.00000000 0.00000000 1
Co Co1 1 1.61921654 -1.72181308 1.74091144 1
Co Co2 1 1.61921654 1.72181308 1.74091144 1
Sb Sb3 1 -0.00000000 -0.00000000 0.00000000 1
[/CIF]
| BaCo2Sb | C2/m | 12 | monoclinic | 2/m | 7,638.783234 | false |
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