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_Sm2Co5B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11219565
_cell_length_b 5.11219565
_cell_length_c 20.04660136
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm2Co5B2
_chemical_formula_sum 'Sm8 Co20 B8'
_cell_volume 453.71832315
_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
B B0 1 0.00000000 0.00000000 3.56758058 1
B B1 1 2.55609782 1.47576377 3.50320333 1
B B2 1 0.00000000 0.00000000 6.45572010 1
B B3 1 2.55609782 1.47576377 6.52009735 1
B B4 1 0.00000000 0.00000000 13.59088126 1
B B5 1 -0.00000000 2.95152753 13.52650401 1
B B6 1 0.00000000 0.00000000 16.47902078 1
B B7 1 0.00000000 2.95152753 16.54339803 1
Co Co8 1 0.00000000 0.00000000 0.00000000 1
Co Co9 1 1.24005538 0.71594631 2.14261924 1
Co Co10 1 3.87214027 0.71594631 2.14261924 1
Co Co11 1 2.55609782 2.99539868 2.14261924 1
Co Co12 1 1.28507229 0.74193683 5.01165034 1
Co Co13 1 3.82712336 0.74193683 5.01165034 1
Co Co14 1 2.55609782 2.94341764 5.01165034 1
Co Co15 1 1.24005538 0.71594631 7.88068144 1
Co Co16 1 3.87214027 0.71594631 7.88068144 1
Co Co17 1 2.55609782 2.99539868 7.88068144 1
Co Co18 1 0.00000000 0.00000000 10.02330068 1
Co Co19 1 0.00000000 1.43189262 12.16591992 1
Co Co20 1 -1.31604244 3.71134499 12.16591992 1
Co Co21 1 1.31604244 3.71134499 12.16591992 1
Co Co22 1 -0.00000000 1.48387366 15.03495102 1
Co Co23 1 -1.27102553 3.68535447 15.03495102 1
Co Co24 1 1.27102553 3.68535447 15.03495102 1
Co Co25 1 0.00000000 1.43189262 17.90398212 1
Co Co26 1 -1.31604244 3.71134499 17.90398212 1
Co Co27 1 1.31604244 3.71134499 17.90398212 1
Sm Sm28 1 -0.00000000 2.95152753 0.44380249 1
Sm Sm29 1 -0.00000000 2.95152753 3.50631937 1
Sm Sm30 1 -0.00000000 2.95152753 6.51698131 1
Sm Sm31 1 -0.00000000 2.95152753 9.57949819 1
Sm Sm32 1 2.55609782 1.47576377 10.46710317 1
Sm Sm33 1 2.55609782 1.47576377 13.52962005 1
Sm Sm34 1 2.55609782 1.47576377 16.54028199 1
Sm Sm35 1 2.55609782 1.47576377 19.60279887 1
[/CIF]
| B8Co20Sm8 | P6_3/mmc | 194 | hexagonal | 6/mmm | 9,032.726041 | false |
[CIF]
data_NbBi2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54215571
_cell_length_b 3.54215571
_cell_length_c 6.67462242
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbBi2Ir
_chemical_formula_sum 'Nb1 Bi2 Ir1'
_cell_volume 83.74560027
_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 1.77107785 1.77107785 1.67832560 1
Bi Bi1 1 1.77107785 1.77107785 4.99629682 1
Ir Ir2 1 0.00000000 0.00000000 3.33731121 1
Nb Nb3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Bi2IrNb | P4/mmm | 123 | tetragonal | 4/mmm | 13,941.015936 | false |
[CIF]
data_TiMn2V
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13415920
_cell_length_b 4.13415920
_cell_length_c 2.92353602
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiMn2V
_chemical_formula_sum 'Ti1 Mn2 V1'
_cell_volume 49.96695017
_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 2.06707960 0.00000000 1.46176801 1
Mn Mn1 1 0.00000000 2.06707960 1.46176801 1
Ti Ti2 1 0.00000000 0.00000000 0.00000000 1
V V3 1 2.06707960 2.06707960 0.00000000 1
[/CIF]
| Mn2TiV | P4/mmm | 123 | tetragonal | 4/mmm | 6,935.162405 | false |
[CIF]
data_TaReCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.85534120
_cell_length_b 2.85534120
_cell_length_c 9.64116264
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaReCl2
_chemical_formula_sum 'Ta1 Re1 Cl2'
_cell_volume 78.60414224
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 1.42767060 1.42767060 1.59774784 1
Cl Cl1 1 1.42767060 1.42767060 8.04341480 1
Re Re2 1 0.00000000 0.00000000 4.82058132 1
Ta Ta3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cl2ReTa | P4/mmm | 123 | tetragonal | 4/mmm | 9,254.184118 | false |
[CIF]
data_AlHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94515818
_cell_length_b 5.94515818
_cell_length_c 5.94515818
_cell_angle_alpha 43.89161683
_cell_angle_beta 43.89161683
_cell_angle_gamma 43.89161683
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlHg
_chemical_formula_sum 'Al2 Hg2'
_cell_volume 91.71618306
_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
Al Al0 1 -0.00000000 0.00000000 4.87693225 1
Al Al1 1 -0.00000000 -0.00000000 11.21229080 1
Hg Hg2 1 -0.00000000 0.00000000 1.79931756 1
Hg Hg3 1 0.00000000 -0.00000000 14.28990549 1
[/CIF]
| Al6Hg6 | R-3m | 166 | trigonal | -3m | 8,240.452615 | false |
[CIF]
data_MgMn2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15442500
_cell_length_b 10.31650400
_cell_length_c 6.02597521
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.87233266
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgMn2O4
_chemical_formula_sum 'Mg4 Mn8 O16'
_cell_volume 320.26404814
_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 0.59453367 7.73737800 4.53596791 1
Mg Mg1 1 4.36300733 2.57912600 1.48679009 1
Mg Mg2 1 2.50356264 2.57912600 4.45996673 1
Mg Mg3 1 2.45397836 7.73737800 1.56279127 1
Mn Mn4 1 2.46890002 4.99641700 1.49184920 1
Mn Mn5 1 2.46890002 0.16183500 1.49184920 1
Mn Mn6 1 2.48864098 5.32008700 4.53090880 1
Mn Mn7 1 2.48864098 10.15466900 4.53090880 1
Mn Mn8 1 -0.09844200 5.15825200 3.01137900 1
Mn Mn9 1 0.00000000 0.00000000 0.00000000 1
Mn Mn10 1 0.00000000 5.15825200 0.00000000 1
Mn Mn11 1 -0.09844200 0.00000000 3.01137900 1
O O12 1 0.68525403 4.11552167 1.52759427 1
O O13 1 0.68525403 1.04273033 1.52759427 1
O O14 1 4.27228697 6.20098233 4.49516373 1
O O15 1 4.27228697 9.27377367 4.49516373 1
O O16 1 3.88993026 6.22919796 1.51229647 1
O O17 1 3.88993026 9.24555804 1.51229647 1
O O18 1 1.06761074 4.08730604 4.51046153 1
O O19 1 1.06761074 1.07094596 4.51046153 1
O O20 1 1.51849197 6.36662411 3.14000704 1
O O21 1 1.58932496 9.14752030 0.12805588 1
O O22 1 3.36821604 3.98926830 5.89470212 1
O O23 1 3.43904903 1.20837211 2.88275096 1
O O24 1 3.43904903 3.94987989 2.88275096 1
O O25 1 3.36821604 1.16898370 5.89470212 1
O O26 1 1.58932496 6.32723570 0.12805588 1
O O27 1 1.51849197 9.10813189 3.14000704 1
[/CIF]
| Mg4Mn8O16 | P2_1/m | 11 | monoclinic | 2/m | 4,110.151718 | false |
[CIF]
data_NiOsRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66594997
_cell_length_b 4.66594997
_cell_length_c 4.66594997
_cell_angle_alpha 132.66960082
_cell_angle_beta 132.66960082
_cell_angle_gamma 69.17349908
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiOsRh2
_chemical_formula_sum 'Ni1 Os1 Rh2'
_cell_volume 53.89614789
_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
Os Os1 1 1.87287287 -0.00000000 1.92066287 1
Rh Rh2 1 0.00000000 -0.00000000 3.84132575 1
Rh Rh3 1 -0.00000000 1.87287287 1.92066287 1
[/CIF]
| NiOsRh2 | I-4m2 | 119 | tetragonal | -42m | 14,010.356317 | false |
[CIF]
data_MgTaCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26555253
_cell_length_b 4.26555253
_cell_length_c 4.26555253
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgTaCo2
_chemical_formula_sum 'Mg1 Ta1 Co2'
_cell_volume 54.87959356
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 1.50810056 1.50810056 1.50810056 1
Co Co1 1 4.52430168 4.52430168 4.52430168 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
Ta Ta3 1 3.01620112 3.01620112 3.01620112 1
[/CIF]
| Co2MgTa | Fm-3m | 225 | cubic | m-3m | 9,776.897681 | false |
[CIF]
data_NaSbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96330699
_cell_length_b 3.96330699
_cell_length_c 3.96330699
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaSbO3
_chemical_formula_sum 'Na1 Sb1 O3'
_cell_volume 62.25484264
_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
O O1 1 0.00000000 1.98165349 1.98165349 1
O O2 1 1.98165349 0.00000000 1.98165349 1
O O3 1 1.98165349 1.98165349 0.00000000 1
Sb Sb4 1 1.98165349 1.98165349 1.98165349 1
[/CIF]
| NaO3Sb | Pm-3m | 221 | cubic | m-3m | 5,141.215035 | false |
[CIF]
data_NbInCuNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44976724
_cell_length_b 4.44976724
_cell_length_c 4.44976724
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbInCuNi
_chemical_formula_sum 'Nb1 In1 Cu1 Ni1'
_cell_volume 62.30126791
_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 4.71969089 4.71969089 4.71969088 1
In In1 1 3.14646059 3.14646059 3.14646059 1
Nb Nb2 1 1.57323029 1.57323029 1.57323029 1
Ni Ni3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CuInNbNi | F-43m | 216 | cubic | -43m | 8,794.648418 | false |
[CIF]
data_Pr2Co2SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79459962
_cell_length_b 5.79459962
_cell_length_c 5.79459962
_cell_angle_alpha 140.13675724
_cell_angle_beta 117.22993596
_cell_angle_gamma 76.98894365
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr2Co2SiC
_chemical_formula_sum 'Pr2 Co2 Si1 C1'
_cell_volume 108.14161039
_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
Pr Pr0 1 1.97536997 0.00000000 1.72564780 1
Pr Pr1 1 0.00000000 3.01775002 2.80960115 1
Co Co2 1 0.00000000 1.77718208 -0.00000000 1
Co Co3 1 0.00000000 4.25831796 0.00000000 1
Si Si4 1 0.00000000 0.00000000 4.53524895 1
C C5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CCo2Pr2Si | Immm | 71 | orthorhombic | mmm | 6,752.8897 | false |
[CIF]
data_LiGaSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86228944
_cell_length_b 5.81613986
_cell_length_c 3.50000234
_cell_angle_alpha 73.28273345
_cell_angle_beta 71.84117997
_cell_angle_gamma 34.87608658
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiGaSe
_chemical_formula_sum 'Li1 Ga1 Se1'
_cell_volume 64.72578473
_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 2.41982043 2.52873199 0.34094804 1
Li Li1 1 2.41982043 2.52873199 3.13988387 1
Se Se2 1 2.41982043 2.52873199 7.09687142 1
[/CIF]
| GaLiSe | Fmm2 | 42 | orthorhombic | mm2 | 3,992.531459 | false |
[CIF]
data_Na3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51755750
_cell_length_b 5.51755750
_cell_length_c 2.78453695
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na3Ru
_chemical_formula_sum 'Na3 Ru1'
_cell_volume 84.77088570
_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 2.75877875 0.00000000 1.39226848 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Na Na2 1 0.00000000 2.75877875 1.39226848 1
Ru Ru3 1 2.75877875 2.75877875 0.00000000 1
[/CIF]
| Na3Ru | P4/mmm | 123 | tetragonal | 4/mmm | 3,330.824153 | false |
[CIF]
data_Zr2GaOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76814397
_cell_length_b 4.76814397
_cell_length_c 3.27266064
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 98.92721779
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2GaOs
_chemical_formula_sum 'Zr2 Ga1 Os1'
_cell_volume 73.50326634
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 0.00000000 0.00000000 0.00000000 1
Os Os1 1 3.09896403 0.00000000 0.00000000 1
Zr Zr2 1 1.54948201 -1.81187878 1.63633032 1
Zr Zr3 1 1.54948202 1.81187878 1.63633032 1
[/CIF]
| GaOsZr2 | Cmmm | 65 | orthorhombic | mmm | 9,994.442154 | false |
[CIF]
data_AlReSnMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52337102
_cell_length_b 4.52337102
_cell_length_c 4.52337102
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlReSnMo
_chemical_formula_sum 'Al1 Re1 Sn1 Mo1'
_cell_volume 65.44427113
_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
Mo Mo1 1 4.79775948 4.79775948 4.79775948 1
Re Re2 1 1.59925316 1.59925316 1.59925316 1
Sn Sn3 1 3.19850632 3.19850632 3.19850632 1
[/CIF]
| AlMoReSn | F-43m | 216 | cubic | -43m | 10,856.195753 | false |
[CIF]
data_TaVAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58645896
_cell_length_b 4.58645896
_cell_length_c 3.23028305
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaVAg2
_chemical_formula_sum 'Ta1 V1 Ag2'
_cell_volume 67.95096084
_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 2.29322948 1.61514153 1
Ag Ag1 1 2.29322948 0.00000000 1.61514153 1
Ta Ta2 1 2.29322948 2.29322948 0.00000000 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ag2TaV | P4/mmm | 123 | tetragonal | 4/mmm | 10,938.772399 | false |
[CIF]
data_Ca2PdRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.86778235
_cell_length_b 4.86778235
_cell_length_c 4.86778235
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2PdRh
_chemical_formula_sum 'Ca2 Pd1 Rh1'
_cell_volume 81.56023295
_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 1.72102095 1.72102095 1.72102095 1
Ca Ca1 1 0.00000000 0.00000000 0.00000000 1
Pd Pd2 1 5.16306286 5.16306287 5.16306287 1
Rh Rh3 1 3.44204191 3.44204191 3.44204191 1
[/CIF]
| Ca2PdRh | F-43m | 216 | cubic | -43m | 5,893.746528 | false |
[CIF]
data_LaTa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38403406
_cell_length_b 3.38403406
_cell_length_c 7.79134020
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaTa3
_chemical_formula_sum 'La1 Ta3'
_cell_volume 89.22398542
_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 0.00000000 0.00000000 0.00000000 1
Ta Ta1 1 0.00000000 0.00000000 3.89567010 1
Ta Ta2 1 1.69201703 1.69201703 2.41408279 1
Ta Ta3 1 1.69201703 1.69201703 5.37725741 1
[/CIF]
| LaTa3 | P4/mmm | 123 | tetragonal | 4/mmm | 12,687.96754 | false |
[CIF]
data_Bi2Te2WO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95563612
_cell_length_b 6.95563612
_cell_length_c 12.48141853
_cell_angle_alpha 91.12957243
_cell_angle_beta 91.12957243
_cell_angle_gamma 48.44670410
_symmetry_Int_Tables_number 1
_chemical_formula_structural Bi2Te2WO10
_chemical_formula_sum 'Bi4 Te4 W2 O20'
_cell_volume 451.78786342
_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
Bi Bi0 1 5.06511313 -1.47295757 5.69929374 1
Bi Bi1 1 4.93020913 1.47295757 11.93854474 1
Bi Bi2 1 7.48640887 -1.47295757 0.53995726 1
Bi Bi3 1 7.35150487 1.47295757 6.77920826 1
Te Te4 1 8.66618850 -1.33021030 4.48114237 1
Te Te5 1 3.75042950 1.33021030 7.99735963 1
Te Te6 1 8.53128450 1.33021030 10.72039337 1
Te Te7 1 3.88533350 -1.33021030 1.75810863 1
W W8 1 6.14085700 -1.84617980 9.35887650 1
W W9 1 6.27576100 1.84617980 3.11962550 1
O O10 1 5.37254212 -0.59486735 0.76573080 1
O O11 1 5.23763812 0.59486735 7.00498180 1
O O12 1 6.30687476 2.32591098 1.23499734 1
O O13 1 1.38979342 0.64397373 3.05420071 1
O O14 1 2.63279762 0.00150398 5.63083668 1
O O15 1 11.02682458 -0.64397373 9.42430129 1
O O16 1 6.10974324 -2.32591098 11.24350466 1
O O17 1 6.17197076 -2.32591098 7.47424834 1
O O18 1 9.78382038 -0.00150398 6.84766532 1
O O19 1 1.25488942 -0.64397373 9.29345171 1
O O20 1 7.54911234 -0.70476383 9.28354378 1
O O21 1 4.86750566 0.70476383 3.19495822 1
O O22 1 7.04407588 0.59486735 11.71277120 1
O O23 1 2.49789362 -0.00150398 11.87008768 1
O O24 1 11.16172858 0.64397373 3.18505029 1
O O25 1 4.73260166 -0.70476383 9.43420922 1
O O26 1 9.91872438 0.00150398 0.60841432 1
O O27 1 6.24464724 2.32591098 5.00425366 1
O O28 1 7.17897988 -0.59486735 5.47352020 1
O O29 1 7.68401634 0.70476383 3.04429278 1
[/CIF]
| Bi4O20Te4W2 | C2/c | 15 | monoclinic | 2/m | 7,475.896245 | false |
[CIF]
data_NaHg2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55520202
_cell_length_b 5.55520202
_cell_length_c 5.48874194
_cell_angle_alpha 98.71745570
_cell_angle_beta 98.71745570
_cell_angle_gamma 34.15376633
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaHg2Ge
_chemical_formula_sum 'Na1 Hg2 Ge1'
_cell_volume 93.89198992
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 2.00211938 0.00000000 4.13627524 1
Hg Hg1 1 9.71215723 -0.00000000 5.29402812 1
Hg Hg2 1 7.75311136 -0.00000000 1.44636211 1
Na Na3 1 4.90839003 -0.00000000 2.67161590 1
[/CIF]
| GeHg2Na | Cm | 8 | monoclinic | m | 8,786.394146 | false |
[CIF]
data_LiCdPbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99930010
_cell_length_b 4.99930010
_cell_length_c 4.99930010
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiCdPbAu
_chemical_formula_sum 'Li1 Cd1 Pb1 Au1'
_cell_volume 88.35123490
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 5.30255850 5.30255850 5.30255850 1
Cd Cd1 1 1.76751950 1.76751950 1.76751950 1
Li Li2 1 0.00000000 -0.00000000 0.00000000 1
Pb Pb3 1 3.53503900 3.53503900 3.53503900 1
[/CIF]
| AuCdLiPb | F-43m | 216 | cubic | -43m | 9,839.398814 | false |
[CIF]
data_BeFeBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88426757
_cell_length_b 4.88426757
_cell_length_c 4.88426757
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeFeBi2
_chemical_formula_sum 'Be1 Fe1 Bi2'
_cell_volume 82.39167738
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Bi Bi1 1 5.18054808 5.18054808 5.18054808 1
Bi Bi2 1 1.72684936 1.72684936 1.72684936 1
Fe Fe3 1 3.45369872 3.45369872 3.45369872 1
[/CIF]
| BeBi2Fe | Fm-3m | 225 | cubic | m-3m | 9,730.814406 | false |
[CIF]
data_BaAuSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72216292
_cell_length_b 5.72216292
_cell_length_c 5.72216292
_cell_angle_alpha 133.83280378
_cell_angle_beta 133.83280378
_cell_angle_gamma 67.34927013
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaAuSe
_chemical_formula_sum 'Ba1 Au1 Se1'
_cell_volume 95.87465191
_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 9.31332602 1
Ba Ba1 1 -0.00000000 0.00000000 3.05291434 1
Se Se2 1 -0.00000000 0.00000000 6.68168794 1
[/CIF]
| AuBaSe | I4mm | 107 | tetragonal | 4mm | 7,157.509123 | false |
[CIF]
data_ZnBi2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14693447
_cell_length_b 7.14693447
_cell_length_c 4.62416159
_cell_angle_alpha 105.25211480
_cell_angle_beta 105.25211480
_cell_angle_gamma 30.80807931
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnBi2Se
_chemical_formula_sum 'Zn1 Bi2 Se1'
_cell_volume 116.38038680
_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 12.24851277 0.00000000 4.28384421 1
Bi Bi1 1 9.31877457 0.00000000 3.38136742 1
Se Se2 1 6.11270656 0.00000000 2.10639581 1
Zn Zn3 1 3.61649222 0.00000000 1.35009246 1
[/CIF]
| Bi2SeZn | Cm | 8 | monoclinic | m | 8,023.02236 | false |
[CIF]
data_Mg2MnV
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31049871
_cell_length_b 5.31049871
_cell_length_c 5.31049871
_cell_angle_alpha 146.77354817
_cell_angle_beta 126.83586370
_cell_angle_gamma 64.14875782
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2MnV
_chemical_formula_sum 'Mg2 Mn1 V1'
_cell_volume 64.94342281
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg Mg0 1 0.00000000 2.37633784 0.08421736 1
Mg Mg1 1 -0.00000000 -0.00000000 2.05255341 1
Mn Mn2 1 -0.00000000 2.37633784 4.20699439 1
V V3 1 0.00000000 -0.00000000 7.15593877 1
[/CIF]
| Mg2MnV | Imm2 | 44 | orthorhombic | mm2 | 3,950.194196 | false |
[CIF]
data_CoTe2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21850998
_cell_length_b 3.21850998
_cell_length_c 7.84955789
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoTe2Au
_chemical_formula_sum 'Co1 Te2 Au1'
_cell_volume 81.31205123
_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 3.92477894 1
Co Co1 1 0.00000000 0.00000000 0.00000000 1
Te Te2 1 1.60925499 1.60925499 1.59304077 1
Te Te3 1 1.60925499 1.60925499 6.25651712 1
[/CIF]
| AuCoTe2 | P4/mmm | 123 | tetragonal | 4/mmm | 10,437.581051 | false |
[CIF]
data_AgBiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75065828
_cell_length_b 4.75065828
_cell_length_c 3.51786012
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgBiAu
_chemical_formula_sum 'Ag1 Bi1 Au1'
_cell_volume 68.75697853
_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 0.32860363 1
Au Au1 1 0.00000000 2.74279384 0.99070821 1
Bi Bi2 1 2.37532914 1.37139692 2.19854828 1
[/CIF]
| AgAuBi | P3m1 | 156 | trigonal | 3m | 12,409.070031 | false |
[CIF]
data_Nb2BAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82076661
_cell_length_b 4.82076661
_cell_length_c 4.93334927
_cell_angle_alpha 116.32876130
_cell_angle_beta 116.32876130
_cell_angle_gamma 37.83302862
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2BAu
_chemical_formula_sum 'Nb2 B1 Au1'
_cell_volume 62.11415082
_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 3.84534688 0.00000000 2.25906589 1
B B1 1 0.27142559 -0.00000000 3.73130708 1
Nb Nb2 1 6.54739845 0.00000000 3.98103217 1
Nb Nb3 1 6.35545283 -0.00000000 0.92243928 1
[/CIF]
| AuBNb2 | Cm | 8 | monoclinic | m | 10,522.11306 | false |
[CIF]
data_TaTiHgBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.86290292
_cell_length_b 4.86290292
_cell_length_c 4.86290292
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaTiHgBi
_chemical_formula_sum 'Ta1 Ti1 Hg1 Bi1'
_cell_volume 81.31521227
_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
Ti Ti0 1 0.00000000 0.00000000 0.00000000 1
Ta Ta1 1 3.43859163 3.43859163 3.43859163 1
Hg Hg2 1 1.71929581 1.71929581 1.71929581 1
Bi Bi3 1 5.15788744 5.15788744 5.15788744 1
[/CIF]
| BiHgTaTi | F-43m | 216 | cubic | -43m | 13,036.474571 | false |
[CIF]
data_CaSn2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23654195
_cell_length_b 5.23654195
_cell_length_c 5.23654195
_cell_angle_alpha 127.12328288
_cell_angle_beta 127.12328288
_cell_angle_gamma 78.04964416
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaSn2Mo
_chemical_formula_sum 'Ca1 Sn2 Mo1'
_cell_volume 88.45492376
_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
Mo Mo1 1 0.00000000 0.00000000 4.06812936 1
Sn Sn2 1 0.00000000 2.33149041 2.03406468 1
Sn Sn3 1 2.33149041 -0.00000000 2.03406468 1
[/CIF]
| CaMoSn2 | I4/mmm | 139 | tetragonal | 4/mmm | 7,010.820566 | false |
[CIF]
data_Na2HfSc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64756619
_cell_length_b 5.64756619
_cell_length_c 6.55480009
_cell_angle_alpha 96.94702158
_cell_angle_beta 96.94702158
_cell_angle_gamma 31.30839421
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2HfSc
_chemical_formula_sum 'Na2 Hf1 Sc1'
_cell_volume 107.77915945
_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 2.05420676 0.00000000 4.58156781 1
Na Na1 1 10.83827838 0.00000000 0.05236740 1
Na Na2 1 7.96631824 -0.00000000 1.54347468 1
Sc Sc3 1 5.09659343 0.00000000 3.57691536 1
[/CIF]
| HfNa2Sc | Cm | 8 | monoclinic | m | 4,151.001812 | false |
[CIF]
data_Sc2CrCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56875651
_cell_length_b 4.56875651
_cell_length_c 4.56875651
_cell_angle_alpha 121.52123673
_cell_angle_beta 120.05396563
_cell_angle_gamma 88.64597305
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2CrCo
_chemical_formula_sum 'Sc2 Cr1 Co1'
_cell_volume 66.59700470
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 0.00000000 3.26854542 1
Cr Cr1 1 0.00000000 0.00000000 0.00000000 1
Sc Sc2 1 -0.00000000 2.28251466 1.62410145 1
Sc Sc3 1 2.23165269 0.00000000 1.64444396 1
[/CIF]
| CoCrSc2 | Immm | 71 | orthorhombic | mmm | 5,007.804183 | false |
[CIF]
data_Zr2TiMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30229727
_cell_length_b 3.30229727
_cell_length_c 7.16909839
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2TiMo
_chemical_formula_sum 'Zr2 Ti1 Mo1'
_cell_volume 78.18021704
_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 1.65114863 1.65114863 3.75322991 1
Ti Ti1 1 0.00000000 0.00000000 5.09069855 1
Zr Zr2 1 1.65114863 1.65114863 7.06568321 1
Zr Zr3 1 0.00000000 0.00000000 2.01313423 1
[/CIF]
| MoTiZr2 | P4mm | 99 | tetragonal | 4mm | 6,930.044511 | false |
[CIF]
data_Co2P3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.26326133
_cell_length_b 8.26326133
_cell_length_c 8.26326133
_cell_angle_alpha 20.63806439
_cell_angle_beta 20.63806439
_cell_angle_gamma 20.63806439
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co2P3
_chemical_formula_sum 'Co2 P3'
_cell_volume 61.35955935
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 -0.00000000 -0.00000000 14.46312059 1
Co Co1 1 -0.00000000 0.00000000 9.79057689 1
P P2 1 0.00000000 0.00000000 0.00000000 1
P P3 1 -0.00000000 0.00000000 4.97990717 1
P P4 1 -0.00000000 -0.00000000 19.27379032 1
[/CIF]
| Co2P3 | R-3m | 166 | trigonal | -3m | 5,704.427716 | false |
[CIF]
data_Y2ZnCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41432664
_cell_length_b 3.41432664
_cell_length_c 7.10514256
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 91.62632098
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2ZnCo
_chemical_formula_sum 'Y2 Zn1 Co1'
_cell_volume 82.79573230
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 0.00000000 0.00000000 1
Y Y1 1 2.37978708 0.00000000 1.62650561 1
Y Y2 1 2.37978708 0.00000000 5.47863695 1
Zn Zn3 1 0.00000000 0.00000000 3.55257128 1
[/CIF]
| CoY2Zn | Cmmm | 65 | orthorhombic | mmm | 6,059.372593 | false |
[CIF]
data_Al2SbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85843733
_cell_length_b 4.85843733
_cell_length_c 3.22498150
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 108.13939214
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al2SbPt
_chemical_formula_sum 'Al2 Sb1 Pt1'
_cell_volume 72.34058904
_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 1.42546724 1.96701462 1.61249075 1
Al Al1 1 1.42546724 -1.96701462 1.61249075 1
Pt Pt2 1 2.85093447 -0.00000000 0.00000000 1
Sb Sb3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Al2PtSb | Cmmm | 65 | orthorhombic | mmm | 8,511.675755 | false |
[CIF]
data_Ba2CaSc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.28644939
_cell_length_b 6.28644939
_cell_length_c 6.28644939
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2CaSc
_chemical_formula_sum 'Ba2 Ca1 Sc1'
_cell_volume 175.67148473
_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 4.44519099 4.44519099 4.44519099 1
Ba Ba1 1 6.66778649 6.66778649 6.66778649 1
Ca Ca2 1 0.00000000 0.00000000 0.00000000 1
Sc Sc3 1 2.22259550 2.22259550 2.22259550 1
[/CIF]
| Ba2CaSc | F-43m | 216 | cubic | -43m | 3,399.958909 | false |
[CIF]
data_MgBPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90187828
_cell_length_b 6.90187828
_cell_length_c 6.90187828
_cell_angle_alpha 26.95330852
_cell_angle_beta 26.95330852
_cell_angle_gamma 26.95330852
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgBPt2
_chemical_formula_sum 'Mg1 B1 Pt2'
_cell_volume 59.57501840
_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
Mg Mg1 1 -0.00000000 -0.00000000 9.97091950 1
Pt Pt2 1 -0.00000000 0.00000000 14.45333699 1
Pt Pt3 1 0.00000000 0.00000000 5.48850201 1
[/CIF]
| BMgPt2 | R-3m | 166 | trigonal | -3m | 11,853.9736 | false |
[CIF]
data_CrInCuPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49264212
_cell_length_b 4.49264212
_cell_length_c 4.49264212
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrInCuPd
_chemical_formula_sum 'Cr1 In1 Cu1 Pd1'
_cell_volume 64.11955153
_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 4.76516657 4.76516657 4.76516657 1
In In2 1 3.17677771 3.17677771 3.17677771 1
Pd Pd3 1 1.58838886 1.58838886 1.58838886 1
[/CIF]
| CrCuInPd | F-43m | 216 | cubic | -43m | 8,721.778296 | false |
[CIF]
data_GaSnBiW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00892252
_cell_length_b 5.00892252
_cell_length_c 5.00892252
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaSnBiW
_chemical_formula_sum 'Ga1 Sn1 Bi1 W1'
_cell_volume 88.86238061
_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 1.77092154 1.77092154 1.77092154 1
Ga Ga1 1 0.00000000 0.00000000 0.00000000 1
Sn Sn2 1 5.31276462 5.31276462 5.31276462 1
W W3 1 3.54184308 3.54184308 3.54184308 1
[/CIF]
| BiGaSnW | F-43m | 216 | cubic | -43m | 10,861.671403 | false |
[CIF]
data_Al2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.64259004
_cell_length_b 9.64259004
_cell_length_c 9.64259004
_cell_angle_alpha 159.45589858
_cell_angle_beta 159.45589858
_cell_angle_gamma 29.21378173
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al2Ag
_chemical_formula_sum 'Al4 Ag2'
_cell_volume 110.35281284
_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
Ag Ag0 1 0.00000000 1.71948833 4.66546521 1
Ag Ag1 1 0.00000000 0.00000000 0.00000000 1
Al Al2 1 1.71948833 -0.00000000 6.01591080 1
Al Al3 1 0.00000000 -0.00000000 7.98048483 1
Al Al4 1 1.71948833 -0.00000000 3.31501962 1
Al Al5 1 0.00000000 -0.00000000 10.68137601 1
[/CIF]
| Ag2Al4 | I4_1/amd | 141 | tetragonal | 4/mmm | 4,870.327291 | false |
[CIF]
data_LaScHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29370535
_cell_length_b 5.29370535
_cell_length_c 5.29370535
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaScHg2
_chemical_formula_sum 'La1 Sc1 Hg2'
_cell_volume 104.89729661
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 1.87160748 1.87160748 1.87160747 1
Hg Hg1 1 5.61482242 5.61482243 5.61482243 1
La La2 1 3.74321495 3.74321495 3.74321495 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Hg2LaSc | Fm-3m | 225 | cubic | m-3m | 9,261.287962 | false |
[CIF]
data_LaSnIrPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17197757
_cell_length_b 5.17197757
_cell_length_c 5.17197757
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaSnIrPb
_chemical_formula_sum 'La1 Sn1 Ir1 Pb1'
_cell_volume 97.82613598
_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 5.48571062 5.48571062 5.48571061 1
La La1 1 3.65714041 3.65714041 3.65714041 1
Pb Pb2 1 1.82857020 1.82857020 1.82857020 1
Sn Sn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| IrLaPbSn | F-43m | 216 | cubic | -43m | 11,152.725941 | false |
[CIF]
data_ZrRu2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59597028
_cell_length_b 4.59597028
_cell_length_c 4.59597028
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrRu2Br
_chemical_formula_sum 'Zr1 Ru2 Br1'
_cell_volume 68.64622139
_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
Ru Ru1 1 3.24984175 3.24984175 3.24984175 1
Ru Ru2 1 1.62492087 1.62492087 1.62492087 1
Zr Zr3 1 4.87476262 4.87476263 4.87476262 1
[/CIF]
| BrRu2Zr | F-43m | 216 | cubic | -43m | 9,029.282074 | false |
[CIF]
data_SrHgPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98617849
_cell_length_b 4.98617849
_cell_length_c 4.98617849
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrHgPd2
_chemical_formula_sum 'Sr1 Hg1 Pd2'
_cell_volume 87.65737556
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 1.76288031 1.76288031 1.76288031 1
Pd Pd1 1 5.28864093 5.28864093 5.28864093 1
Pd Pd2 1 3.52576062 3.52576062 3.52576062 1
Sr Sr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HgPd2Sr | F-43m | 216 | cubic | -43m | 9,491.649664 | false |
[CIF]
data_Cr2TcBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.80575509
_cell_length_b 2.80575509
_cell_length_c 8.39065572
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 115.18259638
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr2TcBr
_chemical_formula_sum 'Cr2 Tc1 Br1'
_cell_volume 59.77547680
_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 1.93941960 1
Cr Cr1 1 1.50375853 0.00000000 8.15184558 1
Cr Cr2 1 0.00000000 0.00000000 6.41091398 1
Tc Tc3 1 1.50375853 0.00000000 4.47446014 1
[/CIF]
| BrCr2Tc | Cmm2 | 35 | orthorhombic | mm2 | 7,856.138646 | false |
[CIF]
data_CuGe3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77882852
_cell_length_b 4.77882852
_cell_length_c 4.77882852
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuGe3Ru
_chemical_formula_sum 'Cu1 Ge3 Ru1'
_cell_volume 109.13507235
_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 2.38941426 2.38941426 2.38941426 1
Ge Ge1 1 2.38941426 0.00000000 2.38941426 1
Ge Ge2 1 2.38941426 2.38941426 0.00000000 1
Ge Ge3 1 0.00000000 2.38941426 2.38941426 1
Cu Cu4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CuGe3Ru | Pm-3m | 221 | cubic | m-3m | 5,820.456786 | false |
[CIF]
data_BaMo3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99096453
_cell_length_b 4.99096453
_cell_length_c 4.99096453
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaMo3N
_chemical_formula_sum 'Ba1 Mo3 N1'
_cell_volume 124.32356361
_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 2.49548227 0.00000000 2.49548227 1
Mo Mo1 1 2.49548227 2.49548227 0.00000000 1
Mo Mo2 1 0.00000000 2.49548227 2.49548227 1
Ba Ba3 1 2.49548227 2.49548227 2.49548227 1
N N4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaMo3N | Pm-3m | 221 | cubic | m-3m | 5,866.39802 | false |
[CIF]
data_CrPbCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45162692
_cell_length_b 5.45162692
_cell_length_c 3.62102232
_cell_angle_alpha 106.21587132
_cell_angle_beta 106.21587132
_cell_angle_gamma 101.65877665
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrPbCl2
_chemical_formula_sum 'Cr1 Pb1 Cl2'
_cell_volume 94.53674289
_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 0.92124685 -2.11323750 1.62394857 1
Cl Cl1 1 0.92124685 2.11323750 1.62394857 1
Cr Cr2 1 0.00000000 0.00000000 0.00000000 1
Pb Pb3 1 3.44342056 -0.00000000 0.00000000 1
[/CIF]
| Cl2CrPb | C2/m | 12 | monoclinic | 2/m | 5,798.247499 | false |
[CIF]
data_Ca2CdRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57408397
_cell_length_b 5.57408397
_cell_length_c 5.57408397
_cell_angle_alpha 132.57076139
_cell_angle_beta 132.57076139
_cell_angle_gamma 69.32905144
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2CdRu
_chemical_formula_sum 'Ca2 Cd1 Ru1'
_cell_volume 92.16339225
_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 2.24179289 2.29233186 1
Ca Ca1 1 0.00000000 0.00000000 0.00000000 1
Cd Cd2 1 2.24179289 0.00000000 2.29233186 1
Ru Ru3 1 0.00000000 0.00000000 4.58466371 1
[/CIF]
| Ca2CdRu | I-4m2 | 119 | tetragonal | -42m | 5,290.557324 | false |
[CIF]
data_Cu2MoIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62650649
_cell_length_b 4.62650649
_cell_length_c 4.62650649
_cell_angle_alpha 131.49629290
_cell_angle_beta 131.49629290
_cell_angle_gamma 71.02575044
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu2MoIr
_chemical_formula_sum 'Cu2 Mo1 Ir1'
_cell_volume 54.39858148
_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 1.90032990 1.88295346 1
Cu Cu1 1 0.00000000 0.00000000 0.00000000 1
Ir Ir2 1 1.90032990 -0.00000000 1.88295346 1
Mo Mo3 1 0.00000000 0.00000000 3.76590691 1
[/CIF]
| Cu2IrMo | I-4m2 | 119 | tetragonal | -42m | 12,676.256969 | false |
[CIF]
data_MnGa2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44864807
_cell_length_b 4.44864807
_cell_length_c 5.01264676
_cell_angle_alpha 101.12236472
_cell_angle_beta 101.12236472
_cell_angle_gamma 38.30897718
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnGa2Pd
_chemical_formula_sum 'Mn1 Ga2 Pd1'
_cell_volume 60.20000427
_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 6.05259833 -0.00000000 1.22386870 1
Ga Ga1 1 1.32848366 0.00000000 3.68314641 1
Mn Mn2 1 0.00000000 0.00000000 0.00000000 1
Pd Pd3 1 3.69054100 0.00000000 2.45350755 1
[/CIF]
| Ga2MnPd | C2/m | 12 | monoclinic | 2/m | 8,297.289579 | false |
[CIF]
data_ScGaBiW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79808989
_cell_length_b 4.79808989
_cell_length_c 4.79808989
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScGaBiW
_chemical_formula_sum 'Sc1 Ga1 Bi1 W1'
_cell_volume 78.10703338
_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 5.08914285 5.08914285 5.08914285 1
Ga Ga1 1 1.69638095 1.69638095 1.69638095 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 3.39276190 3.39276190 3.39276190 1
[/CIF]
| BiGaScW | F-43m | 216 | cubic | -43m | 10,789.328404 | false |
[CIF]
data_TaNb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48377653
_cell_length_b 5.48377653
_cell_length_c 5.48377653
_cell_angle_alpha 144.83648228
_cell_angle_beta 129.33536781
_cell_angle_gamma 63.16837144
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaNb3
_chemical_formula_sum 'Ta1 Nb3'
_cell_volume 72.62485776
_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
Nb Nb0 1 1.65646469 0.00000000 2.29532401 1
Nb Nb1 1 -0.00000000 2.34633095 2.37614908 1
Nb Nb2 1 0.00000000 0.00000000 0.00000000 1
Ta Ta3 1 0.00000000 0.00000000 4.67147309 1
[/CIF]
| Nb3Ta | Immm | 71 | orthorhombic | mmm | 10,510.107254 | false |
[CIF]
data_Co2HgTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19524084
_cell_length_b 3.19524084
_cell_length_c 7.43093083
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co2HgTe
_chemical_formula_sum 'Co2 Hg1 Te1'
_cell_volume 75.86656408
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 1.59762042 1.59762042 0.24051761 1
Co Co1 1 0.00000000 0.00000000 1.46841153 1
Hg Hg2 1 1.59762042 1.59762042 3.08593828 1
Te Te3 1 0.00000000 0.00000000 6.35152883 1
[/CIF]
| Co2HgTe | P4mm | 99 | tetragonal | 4mm | 9,763.115946 | false |
[CIF]
data_Ta2NbSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27641581
_cell_length_b 5.27641581
_cell_length_c 5.27641581
_cell_angle_alpha 142.61440937
_cell_angle_beta 125.80591846
_cell_angle_gamma 67.69054726
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2NbSe
_chemical_formula_sum 'Ta2 Nb1 Se1'
_cell_volume 71.24380598
_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
Nb Nb0 1 1.69105898 -0.00000000 4.32167161 1
Se Se1 1 0.00000000 -0.00000000 2.19017507 1
Ta Ta2 1 1.69105898 -0.00000000 0.06188016 1
Ta Ta3 1 -0.00000000 0.00000000 6.57316977 1
[/CIF]
| NbSeTa2 | Imm2 | 44 | orthorhombic | mm2 | 12,440.841328 | false |
[CIF]
data_TiBe2Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90173277
_cell_length_b 3.90173277
_cell_length_c 4.05101551
_cell_angle_alpha 113.02699852
_cell_angle_beta 113.02699852
_cell_angle_gamma 50.90020822
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiBe2Co
_chemical_formula_sum 'Ti1 Be2 Co1'
_cell_volume 43.13557281
_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 0.46002547 0.00000000 2.43435611 1
Be Be1 1 4.83127889 -0.00000000 1.21680967 1
Co Co2 1 2.64565218 -0.00000000 1.82558289 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Be2CoTi | C2/m | 12 | monoclinic | 2/m | 4,805.223235 | false |
[CIF]
data_YTaMo4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39004770
_cell_length_b 5.39004770
_cell_length_c 5.39004770
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YTaMo4
_chemical_formula_sum 'Y1 Ta1 Mo4'
_cell_volume 110.72936974
_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 4.76233983 4.76233983 2.86033873 1
Mo Mo1 1 4.76233983 2.86033873 4.76233983 1
Mo Mo2 1 2.86033873 4.76233983 4.76233983 1
Mo Mo3 1 2.86033873 2.86033873 2.86033873 1
Ta Ta4 1 5.71700892 5.71700892 5.71700892 1
Y Y5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Mo4TaY | F-43m | 216 | cubic | -43m | 9,803.035805 | false |
[CIF]
data_Ni3GeAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66280308
_cell_length_b 4.66280308
_cell_length_c 4.66280308
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ni3GeAu
_chemical_formula_sum 'Ni3 Ge1 Au1'
_cell_volume 101.37741756
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni0 1 2.33140154 0.00000000 2.33140154 1
Ni Ni1 1 2.33140154 2.33140154 0.00000000 1
Ni Ni2 1 0.00000000 2.33140154 2.33140154 1
Ge Ge3 1 0.00000000 0.00000000 0.00000000 1
Au Au4 1 2.33140154 2.33140154 2.33140154 1
[/CIF]
| AuGeNi3 | Pm-3m | 221 | cubic | m-3m | 7,300.248016 | false |
[CIF]
data_LiLaGaSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08362035
_cell_length_b 5.08362035
_cell_length_c 5.08362035
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiLaGaSn
_chemical_formula_sum 'Li1 La1 Ga1 Sn1'
_cell_volume 92.89756485
_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 3.59466242 3.59466242 3.59466242 1
La La1 1 5.39199363 5.39199363 5.39199363 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Sn Sn3 1 1.79733121 1.79733121 1.79733121 1
[/CIF]
| GaLaLiSn | F-43m | 216 | cubic | -43m | 5,975.227876 | false |
[CIF]
data_Al(AgW)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38091396
_cell_length_b 7.38091396
_cell_length_c 7.38091396
_cell_angle_alpha 151.53071056
_cell_angle_beta 151.53071056
_cell_angle_gamma 40.69902021
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al(AgW)2
_chemical_formula_sum 'Al1 Ag2 W2'
_cell_volume 91.17946323
_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 8.22165475 1
Ag Ag1 1 0.00000000 -0.00000000 5.61886967 1
Al Al2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 -0.00000000 1.81491899 3.46013111 1
W W4 1 1.81491899 0.00000000 3.46013111 1
[/CIF]
| Ag2AlW2 | I4/mmm | 139 | tetragonal | 4/mmm | 11,116.424546 | false |
[CIF]
data_HfMo3I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82799791
_cell_length_b 4.82799791
_cell_length_c 4.82799791
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfMo3I
_chemical_formula_sum 'Hf1 Mo3 I1'
_cell_volume 112.53852540
_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
I I0 1 0.00000000 0.00000000 0.00000000 1
Mo Mo1 1 0.00000000 2.41399895 0.00000000 1
Mo Mo2 1 0.00000000 0.00000000 2.41399895 1
Mo Mo3 1 2.41399895 0.00000000 0.00000000 1
Hf Hf4 1 2.41399895 2.41399895 2.41399895 1
[/CIF]
| HfIMo3 | Pm-3m | 221 | cubic | m-3m | 8,753.939428 | false |
[CIF]
data_K3CaSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76351819
_cell_length_b 6.76351819
_cell_length_c 6.76351819
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K3CaSb
_chemical_formula_sum 'K3 Ca1 Sb1'
_cell_volume 309.39834558
_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 3.38175909 3.38175909 3.38175909 1
Ca Ca1 1 0.00000000 0.00000000 0.00000000 1
K K2 1 3.38175909 0.00000000 3.38175909 1
K K3 1 3.38175909 3.38175909 0.00000000 1
K K4 1 0.00000000 3.38175909 3.38175909 1
[/CIF]
| CaK3Sb | Pm-3m | 221 | cubic | m-3m | 1,498.104602 | false |
[CIF]
data_Zr4TcP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55451398
_cell_length_b 5.55451398
_cell_length_c 5.55451398
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr4TcP
_chemical_formula_sum 'Zr4 Tc1 P1'
_cell_volume 121.17783645
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P P0 1 0.00000000 0.00000000 0.00000000 1
Tc Tc1 1 1.96381725 1.96381725 1.96381725 1
Zr Zr2 1 2.95463700 2.95463700 4.90063200 1
Zr Zr3 1 2.95463700 4.90063200 2.95463700 1
Zr Zr4 1 4.90063200 2.95463700 2.95463700 1
Zr Zr5 1 4.90063200 4.90063200 4.90063200 1
[/CIF]
| PTcZr4 | F-43m | 216 | cubic | -43m | 6,780.074956 | false |
[CIF]
data_SrSbP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06782196
_cell_length_b 6.06782196
_cell_length_c 6.06782196
_cell_angle_alpha 142.36021876
_cell_angle_beta 142.36021876
_cell_angle_gamma 54.28656331
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrSbP
_chemical_formula_sum 'Sr1 Sb1 P1'
_cell_volume 82.75565635
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P P0 1 0.00000000 -0.00000000 0.51265246 1
Sb Sb1 1 0.00000000 0.00000000 6.72128609 1
Sr Sr2 1 -0.00000000 0.00000000 3.56518784 1
[/CIF]
| PSbSr | I4mm | 107 | tetragonal | 4mm | 4,822.900563 | false |
[CIF]
data_YIrRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98883670
_cell_length_b 4.98883670
_cell_length_c 4.98883670
_cell_angle_alpha 132.23452448
_cell_angle_beta 132.23452448
_cell_angle_gamma 69.85887224
_symmetry_Int_Tables_number 1
_chemical_formula_structural YIrRu2
_chemical_formula_sum 'Y1 Ir1 Ru2'
_cell_volume 66.74508215
_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 0.00000000 -0.00000000 4.09013680 1
Ru Ru1 1 2.01981096 -0.00000000 2.04506840 1
Ru Ru2 1 0.00000000 2.01981095 2.04506840 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| IrRu2Y | I4/mmm | 139 | tetragonal | 4/mmm | 12,023.258258 | false |
[CIF]
data_LiBiSb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29958010
_cell_length_b 6.29958010
_cell_length_c 6.29958010
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiBiSb4
_chemical_formula_sum 'Li1 Bi1 Sb4'
_cell_volume 176.77457842
_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 6.68171372 6.68171372 6.68171371 1
Li Li1 1 0.00000000 0.00000000 0.00000000 1
Sb Sb2 1 5.56800891 5.56800891 3.34094271 1
Sb Sb3 1 5.56800891 3.34094271 5.56800891 1
Sb Sb4 1 3.34094271 5.56800891 5.56800891 1
Sb Sb5 1 3.34094271 3.34094271 3.34094271 1
[/CIF]
| BiLiSb4 | F-43m | 216 | cubic | -43m | 6,603.296002 | false |
[CIF]
data_TaCoB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02613523
_cell_length_b 4.34331971
_cell_length_c 4.34331971
_cell_angle_alpha 43.61043707
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaCoB2
_chemical_formula_sum 'Ta1 Co1 B2'
_cell_volume 39.37536113
_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 6.45356080 1
B B1 1 1.51306761 -0.00000000 5.53252112 1
Co Co2 1 0.00000000 -0.00000000 0.92876898 1
Ta Ta3 1 1.51306761 -0.00000000 3.22106063 1
[/CIF]
| B2CoTa | Amm2 | 38 | orthorhombic | mm2 | 11,028.116906 | false |
[CIF]
data_CaVTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23933903
_cell_length_b 5.23933903
_cell_length_c 5.23933903
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaVTe2
_chemical_formula_sum 'Ca1 V1 Te2'
_cell_volume 101.69849101
_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
Te Te1 1 1.85238608 1.85238608 1.85238608 1
Te Te2 1 5.55715824 5.55715824 5.55715824 1
V V3 1 3.70477216 3.70477216 3.70477216 1
[/CIF]
| CaTe2V | Fm-3m | 225 | cubic | m-3m | 5,653.092781 | false |
[CIF]
data_MgTaRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17680570
_cell_length_b 5.17680570
_cell_length_c 5.17680570
_cell_angle_alpha 137.62174161
_cell_angle_beta 137.62174161
_cell_angle_gamma 61.48281543
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgTaRu2
_chemical_formula_sum 'Mg1 Ta1 Ru2'
_cell_volume 62.31229983
_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
Ru Ru1 1 1.87114437 -0.00000000 2.22468845 1
Ru Ru2 1 0.00000000 -0.00000000 4.44937689 1
Ta Ta3 1 0.00000000 1.87114437 2.22468844 1
[/CIF]
| MgRu2Ta | I-4m2 | 119 | tetragonal | -42m | 10,856.472873 | false |
[CIF]
data_KBeZnCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79864053
_cell_length_b 4.79864053
_cell_length_c 4.79864053
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KBeZnCu
_chemical_formula_sum 'K1 Be1 Zn1 Cu1'
_cell_volume 78.13392762
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Cu Cu1 1 5.08972689 5.08972689 5.08972689 1
K K2 1 3.39315126 3.39315126 3.39315126 1
Zn Zn3 1 1.69657563 1.69657563 1.69657563 1
[/CIF]
| BeCuKZn | F-43m | 216 | cubic | -43m | 3,762.462781 | false |
[CIF]
data_NiIrAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21251642
_cell_length_b 6.96201540
_cell_length_c 2.69649711
_cell_angle_alpha 84.31335455
_cell_angle_beta 73.84616899
_cell_angle_gamma 21.84047646
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiIrAu
_chemical_formula_sum 'Ni1 Ir1 Au1'
_cell_volume 43.31916715
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 1.36388453 2.32613750 13.55411401 1
Ir Ir1 1 1.36388453 2.32613750 9.27078074 1
Ni Ni2 1 1.36388453 2.32613750 4.48355885 1
[/CIF]
| AuIrNi | Fmm2 | 42 | orthorhombic | mm2 | 17,168.317235 | false |
[CIF]
data_HfNbZnIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56003967
_cell_length_b 4.56003967
_cell_length_c 4.56003967
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfNbZnIr
_chemical_formula_sum 'Hf1 Nb1 Zn1 Ir1'
_cell_volume 67.04877744
_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 4.83665245 4.83665245 4.83665245 1
Ir Ir1 1 1.61221748 1.61221748 1.61221749 1
Nb Nb2 1 3.22443497 3.22443497 3.22443497 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HfIrNbZn | F-43m | 216 | cubic | -43m | 13,101.121408 | false |
[CIF]
data_Tc3Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84485356
_cell_length_b 3.95902639
_cell_length_c 5.73871428
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tc3Hg
_chemical_formula_sum 'Tc3 Hg1'
_cell_volume 64.63428009
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 0.00000000 0.00000000 2.86935714 1
Tc Tc1 1 1.42242678 1.97951320 1.21083101 1
Tc Tc2 1 0.00000000 0.00000000 0.00000000 1
Tc Tc3 1 1.42242678 1.97951320 4.52788327 1
[/CIF]
| HgTc3 | Pmmm | 47 | orthorhombic | mmm | 12,776.536009 | false |
[CIF]
data_Li2CoGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29219546
_cell_length_b 3.29219546
_cell_length_c 4.82979141
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2CoGe
_chemical_formula_sum 'Li2 Co1 Ge1'
_cell_volume 52.34794026
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 0.00000000 0.00000000 1
Ge Ge1 1 0.00000000 0.00000000 2.41489570 1
Li Li2 1 1.64609773 1.64609773 3.69411044 1
Li Li3 1 1.64609773 1.64609773 1.13568097 1
[/CIF]
| CoGeLi2 | P4/mmm | 123 | tetragonal | 4/mmm | 4,614.012176 | false |
[CIF]
data_SrTl2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52196305
_cell_length_b 5.52196305
_cell_length_c 5.52196305
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrTl2Hg
_chemical_formula_sum 'Sr1 Tl2 Hg1'
_cell_volume 119.05989399
_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 3.90461752 3.90461752 3.90461752 1
Sr Sr1 1 0.00000000 0.00000000 0.00000000 1
Tl Tl2 1 1.95230876 1.95230876 1.95230876 1
Tl Tl3 1 5.85692628 5.85692628 5.85692628 1
[/CIF]
| HgSrTl2 | Fm-3m | 225 | cubic | m-3m | 9,720.795425 | false |
[CIF]
data_Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24756200
_cell_length_b 8.29945500
_cell_length_c 3.10712700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te
_chemical_formula_sum Te4
_cell_volume 135.32129893
_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
Te Te0 1 4.17556904 0.91171173 0.73877848 1
Te Te1 1 3.69577396 5.06143923 2.36834852 1
Te Te2 1 1.07199296 7.38774327 0.73877848 1
Te Te3 1 1.55178804 3.23801577 2.36834852 1
[/CIF]
| Te4 | P2_12_12 | 18 | orthorhombic | 222 | 6,263.161426 | false |
[CIF]
data_Mg2TeRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37582860
_cell_length_b 4.49356235
_cell_length_c 5.27073242
_cell_angle_alpha 90.00000000
_cell_angle_beta 96.00159936
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2TeRu
_chemical_formula_sum 'Mg2 Te1 Ru1'
_cell_volume 79.51612441
_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 0.37273378 2.24678118 4.10731120 1
Mg Mg1 1 2.45200694 2.24678118 1.13453222 1
Ru Ru2 1 0.00000000 0.00000000 0.00000000 1
Te Te3 1 1.41237036 0.00000000 2.62092171 1
[/CIF]
| Mg2RuTe | P2/m | 10 | monoclinic | 2/m | 5,790.451632 | false |
[CIF]
data_Sr2AlTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70489890
_cell_length_b 5.70489890
_cell_length_c 4.04060402
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2AlTe
_chemical_formula_sum 'Sr2 Al1 Te1'
_cell_volume 131.50497905
_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
Sr Sr1 1 0.00000000 2.85244945 2.02030201 1
Sr Sr2 1 2.85244945 0.00000000 2.02030201 1
Te Te3 1 2.85244945 2.85244945 0.00000000 1
[/CIF]
| AlSr2Te | P4/mmm | 123 | tetragonal | 4/mmm | 4,164.721015 | false |
[CIF]
data_HfMg2Ta
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96063246
_cell_length_b 2.96063246
_cell_length_c 9.53888280
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfMg2Ta
_chemical_formula_sum 'Hf1 Mg2 Ta1'
_cell_volume 83.61159449
_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 7.01809642 1
Mg Mg1 1 1.48031623 1.48031623 0.00656256 1
Mg Mg2 1 0.00000000 0.00000000 2.47058572 1
Ta Ta3 1 1.48031623 1.48031623 4.81307950 1
[/CIF]
| HfMg2Ta | P4mm | 99 | tetragonal | 4mm | 8,103.893365 | false |
[CIF]
data_Tl2VPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92749444
_cell_length_b 4.92749444
_cell_length_c 5.37460897
_cell_angle_alpha 104.62782547
_cell_angle_beta 104.62782547
_cell_angle_gamma 40.68326390
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl2VPd
_chemical_formula_sum 'Tl2 V1 Pd1'
_cell_volume 81.92414549
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pd Pd0 1 3.89641128 0.00000000 2.58799856 1
Tl Tl1 1 1.19108088 0.00000000 3.86049742 1
Tl Tl2 1 6.60174168 0.00000000 1.31549970 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| PdTl2V | C2/m | 12 | monoclinic | 2/m | 11,474.978727 | false |
[CIF]
data_Cr2InCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91035365
_cell_length_b 4.91035365
_cell_length_c 4.91035365
_cell_angle_alpha 142.35073798
_cell_angle_beta 127.01166579
_cell_angle_gamma 66.81243771
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr2InCo
_chemical_formula_sum 'Cr2 In1 Co1'
_cell_volume 56.90827599
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 -0.00000000 -0.00000000 6.25415461 1
Cr Cr1 1 1.58443669 -0.00000000 0.06480636 1
Cr Cr2 1 0.00000000 0.00000000 1.86063771 1
In In3 1 -0.00000000 2.19054168 0.01861100 1
[/CIF]
| CoCr2In | Imm2 | 44 | orthorhombic | mm2 | 8,104.335439 | false |
[CIF]
data_MgTaVFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39078342
_cell_length_b 4.39078342
_cell_length_c 4.39078342
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgTaVFe
_chemical_formula_sum 'Mg1 Ta1 V1 Fe1'
_cell_volume 59.85646277
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 1.55237636 1.55237636 1.55237637 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 3.10475273 3.10475273 3.10475273 1
V V3 1 4.65712910 4.65712910 4.65712910 1
[/CIF]
| FeMgTaV | F-43m | 216 | cubic | -43m | 8,656.602091 | false |
[CIF]
data_NaAsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47463346
_cell_length_b 4.47463346
_cell_length_c 3.05980663
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaAsPt
_chemical_formula_sum 'Na1 As1 Pt1'
_cell_volume 53.05661576
_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 -0.00000002 2.58343085 1.52990332 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 2.23731671 1.29171543 1.52990332 1
[/CIF]
| AsNaPt | P-6m2 | 187 | hexagonal | -6m2 | 9,170.020555 | false |
[CIF]
data_LaMoOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11241973
_cell_length_b 3.11241973
_cell_length_c 7.65234280
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaMoOs2
_chemical_formula_sum 'La1 Mo1 Os2'
_cell_volume 74.12944264
_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 0.00000000 0.00000000 3.82617140 1
Mo Mo1 1 0.00000000 0.00000000 0.00000000 1
Os Os2 1 1.55620986 1.55620986 1.49883094 1
Os Os3 1 1.55620986 1.55620986 6.15351186 1
[/CIF]
| LaMoOs2 | P4/mmm | 123 | tetragonal | 4/mmm | 13,783.618843 | false |
[CIF]
data_TlSbMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33607705
_cell_length_b 5.33607705
_cell_length_c 5.14531438
_cell_angle_alpha 109.18815245
_cell_angle_beta 109.18815245
_cell_angle_gamma 35.74083848
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlSbMo2
_chemical_formula_sum 'Tl1 Sb1 Mo2'
_cell_volume 80.31252424
_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 9.79222127 0.00000000 0.07770201 1
Mo Mo1 1 1.55272540 0.00000000 3.54284304 1
Sb Sb2 1 4.29549121 0.00000000 2.66654205 1
Tl Tl3 1 7.08743023 0.00000000 0.95607755 1
[/CIF]
| Mo2SbTl | Cm | 8 | monoclinic | m | 10,711.459474 | false |
[CIF]
data_FeAgP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41250216
_cell_length_b 4.41250216
_cell_length_c 4.41250216
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeAgP2
_chemical_formula_sum 'Fe1 Ag1 P2'
_cell_volume 60.74909261
_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 1.56005510 1.56005510 1.56005510 1
Fe Fe1 1 3.12011020 3.12011020 3.12011020 1
P P2 1 4.68016530 4.68016530 4.68016530 1
P P3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgFeP2 | F-43m | 216 | cubic | -43m | 6,168.297038 | false |
[CIF]
data_KBeTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.64978658
_cell_length_b 2.64978658
_cell_length_c 9.28745884
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KBeTc2
_chemical_formula_sum 'K1 Be1 Tc2'
_cell_volume 65.21067484
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
K K1 1 0.00000000 0.00000000 4.64372942 1
Tc Tc2 1 1.32489329 1.32489329 7.65171370 1
Tc Tc3 1 1.32489329 1.32489329 1.63574514 1
[/CIF]
| BeKTc2 | P4/mmm | 123 | tetragonal | 4/mmm | 6,262.234733 | false |
[CIF]
data_BaAlCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14173256
_cell_length_b 6.14173256
_cell_length_c 6.14173256
_cell_angle_alpha 39.96168598
_cell_angle_beta 39.96168598
_cell_angle_gamma 39.96168598
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaAlCo2
_chemical_formula_sum 'Ba1 Al1 Co2'
_cell_volume 86.10351868
_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
Ba Ba1 1 -0.00000000 0.00000000 8.46515059 1
Co Co2 1 -0.00000000 0.00000000 11.46443928 1
Co Co3 1 -0.00000000 0.00000000 5.46586190 1
[/CIF]
| AlBaCo2 | R-3m | 166 | trigonal | -3m | 5,441.850693 | false |
[CIF]
data_LiScCoHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56550318
_cell_length_b 4.56550318
_cell_length_c 4.56550318
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiScCoHg
_chemical_formula_sum 'Li1 Sc1 Co1 Hg1'
_cell_volume 67.29006561
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 4.84244739 4.84244739 4.84244739 1
Hg Hg1 1 3.22829826 3.22829826 3.22829826 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Sc Sc3 1 1.61414913 1.61414913 1.61414913 1
[/CIF]
| CoHgLiSc | F-43m | 216 | cubic | -43m | 7,685.016341 | false |
[CIF]
data_Na4BeGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89055515
_cell_length_b 5.89055515
_cell_length_c 5.89055515
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na4BeGe
_chemical_formula_sum 'Na4 Be1 Ge1'
_cell_volume 144.52856175
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Ge Ge1 1 2.08262575 2.08262574 2.08262575 1
Na Na2 1 3.12707097 3.12707097 5.20343201 1
Na Na3 1 3.12707097 5.20343201 3.12707097 1
Na Na4 1 5.20343201 3.12707097 3.12707097 1
Na Na5 1 5.20343201 5.20343201 5.20343201 1
[/CIF]
| BeGeNa4 | F-43m | 216 | cubic | -43m | 1,994.680323 | false |
[CIF]
data_CrNi2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.61739050
_cell_length_b 3.58227061
_cell_length_c 5.12645255
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrNi2Ir
_chemical_formula_sum 'Cr1 Ni2 Ir1'
_cell_volume 48.06664985
_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 2.53989887 1
Ir Ir1 1 1.30869525 1.79113531 3.81309806 1
Ni Ni2 1 0.00000000 0.00000000 0.08480239 1
Ni Ni3 1 1.30869525 1.79113531 1.25187951 1
[/CIF]
| CrIrNi2 | Pmm2 | 25 | orthorhombic | mm2 | 12,492.045156 | false |
[CIF]
data_Y2AsPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95520192
_cell_length_b 4.95520192
_cell_length_c 4.95520192
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2AsPd
_chemical_formula_sum 'Y2 As1 Pd1'
_cell_volume 86.03379325
_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
Y Y1 1 5.25578532 5.25578532 5.25578532 1
Y Y2 1 3.50385688 3.50385688 3.50385688 1
Pd Pd3 1 1.75192844 1.75192844 1.75192844 1
[/CIF]
| AsPdY2 | F-43m | 216 | cubic | -43m | 6,932.021279 | false |
[CIF]
data_YCrReOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51344414
_cell_length_b 4.51344414
_cell_length_c 4.51344414
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YCrReOs
_chemical_formula_sum 'Y1 Cr1 Re1 Os1'
_cell_volume 65.01434905
_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
Os Os1 1 3.19148696 3.19148696 3.19148696 1
Re Re2 1 1.59574348 1.59574348 1.59574348 1
Y Y3 1 4.78723044 4.78723044 4.78723044 1
[/CIF]
| CrOsReY | F-43m | 216 | cubic | -43m | 13,213.414419 | false |
[CIF]
data_CoOsBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16143984
_cell_length_b 4.16143984
_cell_length_c 4.16143984
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoOsBr
_chemical_formula_sum 'Co1 Os1 Br1'
_cell_volume 50.95840943
_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 2.94258233 2.94258233 2.94258233 1
Co Co1 1 0.00000000 0.00000000 0.00000000 1
Os Os2 1 1.47129117 1.47129117 1.47129117 1
[/CIF]
| BrCoOs | F-43m | 216 | cubic | -43m | 10,723.037452 | false |
[CIF]
data_MgTlBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27346443
_cell_length_b 5.27346443
_cell_length_c 5.27346443
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgTlBi
_chemical_formula_sum 'Mg1 Tl1 Bi1'
_cell_volume 103.69864117
_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 5.59335369 5.59335369 5.59335369 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Tl Tl2 1 3.72890246 3.72890246 3.72890246 1
[/CIF]
| BiMgTl | F-43m | 216 | cubic | -43m | 7,008.442602 | false |
[CIF]
data_LaTiNbAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94651448
_cell_length_b 4.94651448
_cell_length_c 4.94651448
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaTiNbAg
_chemical_formula_sum 'La1 Ti1 Nb1 Ag1'
_cell_volume 85.58208358
_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 3.49771393 3.49771393 3.49771393 1
La La1 1 1.74885697 1.74885697 1.74885697 1
Nb Nb2 1 5.24657090 5.24657090 5.24657090 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgLaNbTi | F-43m | 216 | cubic | -43m | 7,519.52967 | false |
[CIF]
data_AlAgRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33708463
_cell_length_b 4.33708463
_cell_length_c 2.83529177
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlAgRu
_chemical_formula_sum 'Al1 Ag1 Ru1'
_cell_volume 46.18747101
_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 2.16854234 1.25200848 0.22344665 1
Al Al1 1 0.00000000 0.00000000 0.87023273 1
Ru Ru2 1 0.00000002 2.50401697 1.74161239 1
[/CIF]
| AgAlRu | P3m1 | 156 | trigonal | 3m | 8,481.822746 | false |
[CIF]
data_ZnCd2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89810104
_cell_length_b 4.89810104
_cell_length_c 4.89810104
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnCd2Ge
_chemical_formula_sum 'Zn1 Cd2 Ge1'
_cell_volume 83.09372361
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 5.19522069 5.19522069 5.19522069 1
Cd Cd1 1 1.73174023 1.73174023 1.73174023 1
Ge Ge2 1 3.46348046 3.46348046 3.46348046 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cd2GeZn | Fm-3m | 225 | cubic | m-3m | 7,251.008738 | false |
[CIF]
data_LaS3I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13072626
_cell_length_b 5.13072626
_cell_length_c 5.13072626
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaS3I
_chemical_formula_sum 'La1 S3 I1'
_cell_volume 135.06304385
_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
I I0 1 0.00000000 0.00000000 0.00000000 1
S S1 1 0.00000000 2.56536313 0.00000000 1
S S2 1 0.00000000 0.00000000 2.56536313 1
S S3 1 2.56536313 0.00000000 0.00000000 1
La La4 1 2.56536313 2.56536313 2.56536313 1
[/CIF]
| ILaS3 | Pm-3m | 221 | cubic | m-3m | 4,450.687087 | false |
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