Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
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_BaMnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80460963 _cell_length_b 4.80460963 _cell_length_c 4.80460963 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnW _chemical_formula_sum 'Ba1 Mn1 W1' _cell_volume 78.42586624 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69868602 1.69868602 1.69868602 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 5.09605808 5.09605808 5.09605808 1 [/CIF]
BaMnW
F-43m
216
cubic
-43m
7,963.40736
false
[CIF] data_Na2PmHf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34724886 _cell_length_b 5.34724886 _cell_length_c 5.34724886 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2PmHf _chemical_formula_sum 'Na2 Pm1 Hf1' _cell_volume 108.11257000 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.78107593 3.78107593 3.78107593 1 Na Na1 1 1.89053796 1.89053796 1.89053796 1 Na Na2 1 5.67161389 5.67161389 5.67161389 1 Pm Pm3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfNa2Pm
Fm-3m
225
cubic
m-3m
5,674.812861
false
[CIF] data_NaMnZnCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75109552 _cell_length_b 4.75109552 _cell_length_c 4.75109552 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMnZnCd _chemical_formula_sum 'Na1 Mn1 Zn1 Cd1' _cell_volume 75.83440574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35953186 3.35953186 3.35953186 1 Mn Mn1 1 1.67976593 1.67976593 1.67976593 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 5.03929779 5.03929779 5.03929779 1 [/CIF]
CdMnNaZn
F-43m
216
cubic
-43m
5,599.451556
false
[CIF] data_LiZnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12643455 _cell_length_b 4.12643455 _cell_length_c 4.12643455 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZnW _chemical_formula_sum 'Li1 Zn1 W1' _cell_volume 49.68323709 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 2.91782985 2.91782985 2.91782985 1 Zn Zn2 1 4.37674477 4.37674477 4.37674477 1 [/CIF]
LiWZn
F-43m
216
cubic
-43m
8,561.546565
false
[CIF] data_TcMoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04290719 _cell_length_b 5.04290719 _cell_length_c 5.04290719 _cell_angle_alpha 143.05159453 _cell_angle_beta 143.05159453 _cell_angle_gamma 53.24788092 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMoRh _chemical_formula_sum 'Tc1 Mo1 Rh1' _cell_volume 46.04766778 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.09869985 1 Rh Rh1 1 0.00000000 -0.00000000 3.04406559 1 Tc Tc2 1 0.00000000 0.00000000 5.87362046 1 [/CIF]
MoRhTc
I4mm
107
tetragonal
4mm
10,738.036575
false
[CIF] data_HgPtBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68694549 _cell_length_b 4.68694549 _cell_length_c 4.68694549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgPtBr _chemical_formula_sum 'Hg1 Pt1 Br1' _cell_volume 72.80391106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 4.97125641 4.97125641 4.97125641 1 Pt Pt2 1 1.65708547 1.65708547 1.65708547 1 [/CIF]
BrHgPt
F-43m
216
cubic
-43m
10,847.162422
false
[CIF] data_Lu2NpPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05139407 _cell_length_b 5.05139407 _cell_length_c 5.05139407 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2NpPt _chemical_formula_sum 'Lu2 Np1 Pt1' _cell_volume 91.14204129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 1.78593750 1.78593750 1.78593750 1 Lu Lu1 1 5.35781250 5.35781250 5.35781250 1 Np Np2 1 3.57187500 3.57187500 3.57187500 1 Pt Pt3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Lu2NpPt
Fm-3m
225
cubic
m-3m
14,247.769275
false
[CIF] data_HfTlCdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75611859 _cell_length_b 4.75611859 _cell_length_c 4.75611859 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTlCdRu _chemical_formula_sum 'Hf1 Tl1 Cd1 Ru1' _cell_volume 76.07518688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.04462557 5.04462557 5.04462557 1 Hf Hf1 1 3.36308371 3.36308371 3.36308371 1 Ru Ru2 1 -0.00000000 -0.00000000 0.00000000 1 Tl Tl3 1 1.68154185 1.68154185 1.68154186 1 [/CIF]
CdHfRuTl
F-43m
216
cubic
-43m
13,016.985607
false
[CIF] data_CaLa2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12901115 _cell_length_b 7.12901115 _cell_length_c 5.22865994 _cell_angle_alpha 111.42168189 _cell_angle_beta 111.42168189 _cell_angle_gamma 31.87607402 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLa2As _chemical_formula_sum 'Ca1 La2 As1' _cell_volume 129.81353105 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.82567266 -0.00000000 2.37908626 1 Ca Ca1 1 10.52622784 -0.00000000 1.53003515 1 La La2 1 0.06286187 0.00000000 0.00508484 1 La La3 1 1.17113368 -0.00000000 3.34100087 1 [/CIF]
AsCaLa2
Cm
8
monoclinic
m
5,024.724635
false
[CIF] data_K2ScZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52333066 _cell_length_b 3.52333066 _cell_length_c 12.26496312 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.38010039 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ScZn _chemical_formula_sum 'K2 Sc1 Zn1' _cell_volume 143.62841457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03648281 0.00000000 8.93398348 1 K K1 1 2.03648281 0.00000000 3.33097964 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 6.13248156 1 [/CIF]
K2ScZn
Cmmm
65
orthorhombic
mmm
2,179.691271
false
[CIF] data_LaCrTcPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65740841 _cell_length_b 4.65740841 _cell_length_c 4.65740841 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrTcPd _chemical_formula_sum 'La1 Cr1 Tc1 Pd1' _cell_volume 71.43613866 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 4.93992761 4.93992761 4.93992761 1 Pd Pd2 1 3.29328507 3.29328507 3.29328507 1 Tc Tc3 1 1.64664254 1.64664254 1.64664254 1 [/CIF]
CrLaPdTc
F-43m
216
cubic
-43m
9,210.347924
false
[CIF] data_Np2TlB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86366644 _cell_length_b 4.86366644 _cell_length_c 4.86366644 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Np2TlB _chemical_formula_sum 'Np2 Tl1 B1' _cell_volume 81.35352003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Np Np1 1 5.15869728 5.15869728 5.15869728 1 Np Np2 1 1.71956576 1.71956576 1.71956576 1 Tl Tl3 1 3.43913152 3.43913152 3.43913152 1 [/CIF]
BNp2Tl
Fm-3m
225
cubic
m-3m
14,067.419077
false
[CIF] data_Na2TlTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68713454 _cell_length_b 4.42099569 _cell_length_c 7.10367831 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.01296293 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TlTe _chemical_formula_sum 'Na2 Tl1 Te1' _cell_volume 115.77758511 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81116569 2.21049784 5.50339440 1 Na Na1 1 1.75038564 2.21049784 1.59917376 1 Te Te2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 -0.06279161 0.00000000 3.55128408 1 [/CIF]
Na2TeTl
P2/m
10
monoclinic
2/m
5,420.928918
false
[CIF] data_ScCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.02908125 _cell_length_b 9.02908125 _cell_length_c 9.02908125 _cell_angle_alpha 19.25661935 _cell_angle_beta 19.25661935 _cell_angle_gamma 19.25661935 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCr _chemical_formula_sum 'Sc2 Cr2' _cell_volume 69.98900912 _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 Cr Cr0 1 -0.00000000 0.00000000 3.67773108 1 Cr Cr1 1 0.00000000 -0.00000000 22.89954334 1 Sc Sc2 1 0.00000000 0.00000000 16.24007587 1 Sc Sc3 1 -0.00000000 0.00000000 10.33719855 1 [/CIF]
Cr2Sc2
R-3m
166
trigonal
-3m
4,600.51101
false
[CIF] data_TaMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04447420 _cell_length_b 3.04447420 _cell_length_c 6.19530149 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMoP2 _chemical_formula_sum 'Ta1 Mo1 P2' _cell_volume 57.42315396 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.52223710 1.52223710 1.47917463 1 P P2 1 1.52223710 1.52223710 4.71612686 1 Ta Ta3 1 0.00000000 0.00000000 3.09765075 1 [/CIF]
MoP2Ta
P4/mmm
123
tetragonal
4/mmm
9,798.93813
false
[CIF] data_MnCd2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12750360 _cell_length_b 3.12750360 _cell_length_c 7.14735048 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCd2P _chemical_formula_sum 'Mn1 Cd2 P1' _cell_volume 69.91022750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56375180 1.56375180 6.97851348 1 Cd Cd1 1 0.00000000 0.00000000 2.00654775 1 Mn Mn2 1 1.56375180 1.56375180 4.05342470 1 P P3 1 0.00000000 0.00000000 4.82989027 1 [/CIF]
Cd2MnP
P4mm
99
tetragonal
4mm
7,380.688696
false
[CIF] data_NaAu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81392291 _cell_length_b 3.81392291 _cell_length_c 6.63140767 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAu2Cl _chemical_formula_sum 'Na1 Au2 Cl1' _cell_volume 96.46050878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90696146 3.31570384 1 Au Au1 1 1.90696146 0.00000000 3.31570384 1 Cl Cl2 1 1.90696146 1.90696146 0.00000000 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2ClNa
P4/mmm
123
tetragonal
4/mmm
7,788.130112
false
[CIF] data_V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69552954 _cell_length_b 2.69552954 _cell_length_c 2.69552954 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V _chemical_formula_sum V1 _cell_volume 13.84896416 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
V
Fm-3m
225
cubic
m-3m
6,108.063384
false
[CIF] data_NbTc4Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20437811 _cell_length_b 5.20437811 _cell_length_c 5.20437811 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTc4Sb _chemical_formula_sum 'Nb1 Tc4 Sb1' _cell_volume 99.67621209 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 1.84002553 1.84002553 1.84002553 1 Tc Tc2 1 2.76562912 2.76562912 4.59447298 1 Tc Tc3 1 2.76562912 4.59447298 2.76562912 1 Tc Tc4 1 4.59447298 2.76562912 2.76562912 1 Tc Tc5 1 4.59447298 4.59447298 4.59447298 1 [/CIF]
NbSbTc4
F-43m
216
cubic
-43m
10,167.04312
false
[CIF] data_YCr2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85805698 _cell_length_b 2.85805698 _cell_length_c 8.76231734 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.80798224 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCr2Hg _chemical_formula_sum 'Y1 Cr2 Hg1' _cell_volume 71.48896037 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97082777 0.00000000 2.34676449 1 Cr Cr1 1 1.97082777 0.00000000 6.41555285 1 Hg Hg2 1 0.00000000 0.00000000 4.38115867 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2HgY
Cmmm
65
orthorhombic
mmm
9,139.904622
false
[CIF] data_AgMo2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08349143 _cell_length_b 5.08349143 _cell_length_c 4.76841086 _cell_angle_alpha 99.89664967 _cell_angle_beta 99.89664967 _cell_angle_gamma 31.98884448 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgMo2Pd _chemical_formula_sum 'Ag1 Mo2 Pd1' _cell_volume 64.22695411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 4.46042314 0.00000000 2.34578812 1 Mo Mo1 1 1.84553686 0.00000000 3.56102609 1 Mo Mo2 1 7.07530941 0.00000000 1.13055014 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgMo2Pd
C2/m
12
monoclinic
2/m
10,502.20417
false
[CIF] data_NaSrAlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98304538 _cell_length_b 4.98304538 _cell_length_c 4.98304538 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrAlNi _chemical_formula_sum 'Na1 Sr1 Al1 Ni1' _cell_volume 87.49223872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76177259 1.76177259 1.76177259 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 3.52354518 3.52354518 3.52354518 1 Sr Sr3 1 5.28531777 5.28531777 5.28531777 1 [/CIF]
AlNaNiSr
F-43m
216
cubic
-43m
3,725.341017
false
[CIF] data_LiOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30223968 _cell_length_b 4.30223968 _cell_length_c 4.30223968 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiOsAu _chemical_formula_sum 'Li1 Os1 Au1' _cell_volume 56.30783195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04214285 3.04214285 3.04214285 1 Li Li1 1 -0.00000000 -0.00000000 -0.00000000 1 Os Os2 1 1.52107143 1.52107143 1.52107143 1 [/CIF]
AuLiOs
F-43m
216
cubic
-43m
11,623.26462
false
[CIF] data_LaVCrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78493113 _cell_length_b 4.78493113 _cell_length_c 4.78493113 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaVCrPb _chemical_formula_sum 'La1 V1 Cr1 Pb1' _cell_volume 77.46616852 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38345725 3.38345725 3.38345725 1 La La1 1 1.69172863 1.69172863 1.69172863 1 Pb Pb2 1 5.07518588 5.07518588 5.07518588 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrLaPbV
F-43m
216
cubic
-43m
9,625.538148
false
[CIF] data_YAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61038773 _cell_length_b 4.61038773 _cell_length_c 4.61038773 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAgRu _chemical_formula_sum 'Y1 Ag1 Ru1' _cell_volume 69.29427501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 4.89005465 4.89005465 4.89005465 1 Ru Ru1 1 1.63001822 1.63001822 1.63001821 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgRuY
F-43m
216
cubic
-43m
7,137.410424
false
[CIF] data_BaSrGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61823826 _cell_length_b 5.56331656 _cell_length_c 6.62452886 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrGe2 _chemical_formula_sum 'Ba1 Sr1 Ge2' _cell_volume 133.34782323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80911913 2.78165828 5.72532233 1 Ge Ge1 1 0.00000000 0.00000000 5.90519207 1 Ge Ge2 1 1.80911913 2.78165828 2.40632506 1 Sr Sr3 1 0.00000000 0.00000000 2.52448268 1 [/CIF]
BaGe2Sr
Pmm2
25
orthorhombic
mm2
4,610.321954
false
[CIF] data_Nb2ZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96573257 _cell_length_b 3.96573257 _cell_length_c 4.12988211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2ZnPd _chemical_formula_sum 'Nb2 Zn1 Pd1' _cell_volume 64.95079973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1.98286629 2.06494105 1 Nb Nb1 1 1.98286629 0.00000000 2.06494105 1 Pd Pd2 1 1.98286629 1.98286629 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2PdZn
P4/mmm
123
tetragonal
4/mmm
9,142.765926
false
[CIF] data_TlInCoRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65186318 _cell_length_b 4.65186318 _cell_length_c 4.65186318 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlInCoRe _chemical_formula_sum 'Tl1 In1 Co1 Re1' _cell_volume 71.18128122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 1.64468200 1.64468200 1.64468200 1 Re Re2 1 4.93404600 4.93404600 4.93404600 1 Tl Tl3 1 3.28936400 3.28936400 3.28936400 1 [/CIF]
CoInReTl
F-43m
216
cubic
-43m
13,165.133913
false
[CIF] data_Fe2TePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25617131 _cell_length_b 3.25617131 _cell_length_c 8.04924378 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2TePb _chemical_formula_sum 'Fe2 Te1 Pb1' _cell_volume 85.34332768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62808566 1.62808566 0.36204050 1 Fe Fe1 1 0.00000000 0.00000000 1.47364074 1 Pb Pb2 1 1.62808566 1.62808566 3.38569481 1 Te Te3 1 0.00000000 0.00000000 6.85248962 1 [/CIF]
Fe2PbTe
P4mm
99
tetragonal
4mm
8,687.602232
false
[CIF] data_ZnB2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36432025 _cell_length_b 4.36432025 _cell_length_c 2.22543263 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnB2P _chemical_formula_sum 'Zn1 B2 P1' _cell_volume 42.38846347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18216013 0.00000000 1.11271631 1 B B1 1 0.00000000 2.18216013 1.11271631 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.18216013 2.18216013 0.00000000 1 [/CIF]
B2PZn
P4/mmm
123
tetragonal
4/mmm
4,621.674603
false
[CIF] data_Li2CrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62437870 _cell_length_b 4.09072771 _cell_length_c 5.31952785 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.48705528 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CrPt _chemical_formula_sum 'Li2 Cr1 Pt1' _cell_volume 55.75751591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.34796422 0.00000000 3.63546905 1 Li Li1 1 0.00566232 2.04536386 0.16944374 1 Li Li2 1 1.67245816 0.00000000 1.19200565 1 Pt Pt3 1 0.88113700 2.04536386 2.79362224 1 [/CIF]
CrLi2Pt
Pm
6
monoclinic
m
7,771.826899
false
[CIF] data_ScMn2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91810630 _cell_length_b 3.91810630 _cell_length_c 4.02584602 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMn2Hg _chemical_formula_sum 'Sc1 Mn2 Hg1' _cell_volume 61.80300440 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95905315 1.95905315 0.00000000 1 Mn Mn1 1 1.95905315 0.00000000 2.01292301 1 Mn Mn2 1 0.00000000 1.95905315 2.01292301 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgMn2Sc
P4/mmm
123
tetragonal
4/mmm
9,550.317045
false
[CIF] data_CdHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40233437 _cell_length_b 5.21451808 _cell_length_c 5.77805953 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdHg3 _chemical_formula_sum 'Cd1 Hg3' _cell_volume 102.51164011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 5.77560466 1 Hg Hg1 1 0.00000000 2.60725904 1.89875721 1 Hg Hg2 1 1.70116719 0.00000000 2.88617367 1 Hg Hg3 1 1.70116719 2.60725904 4.84762323 1 [/CIF]
CdHg3
Pmm2
25
orthorhombic
mm2
11,568.690637
false
[CIF] data_ScTlGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01540696 _cell_length_b 5.01540696 _cell_length_c 5.01540696 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTlGe2 _chemical_formula_sum 'Sc1 Tl1 Ge2' _cell_volume 89.20794527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.77321414 1.77321413 1.77321413 1 Ge Ge1 1 5.31964240 5.31964240 5.31964240 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.54642827 3.54642827 3.54642827 1 [/CIF]
Ge2ScTl
Fm-3m
225
cubic
m-3m
7,345.540982
false
[CIF] data_SrC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84817306 _cell_length_b 4.84817306 _cell_length_c 2.64954196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrC5 _chemical_formula_sum 'Sr1 C5' _cell_volume 53.93338284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -1.21204326 2.09932052 1.32477098 1 C C1 1 2.42408653 0.00000000 1.32477098 1 C C2 1 1.21204326 2.09932052 1.32477098 1 C C3 1 0.00000000 2.79909402 0.00000000 1 C C4 1 2.42408653 1.39954701 0.00000000 1 Sr Sr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C5Sr
P6/mmm
191
hexagonal
6/mmm
4,546.675973
false
[CIF] data_CoAgBiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65575597 _cell_length_b 4.65575597 _cell_length_c 4.65575597 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAgBiW _chemical_formula_sum 'Co1 Ag1 Bi1 W1' _cell_volume 71.36012950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29211662 3.29211662 3.29211662 1 Bi Bi1 1 1.64605831 1.64605831 1.64605831 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.93817493 4.93817493 4.93817493 1 [/CIF]
AgBiCoW
F-43m
216
cubic
-43m
13,022.311754
false
[CIF] data_TmHfO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15571200 _cell_length_b 4.15571200 _cell_length_c 4.15571200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmHfO3 _chemical_formula_sum 'Tm1 Hf1 O3' _cell_volume 71.76890615 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07785600 2.07785600 2.07785600 1 O O1 1 0.00000000 2.07785600 0.00000000 1 O O2 1 2.07785600 0.00000000 0.00000000 1 O O3 1 0.00000000 0.00000000 2.07785600 1 Tm Tm4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfO3Tm
Pm-3m
221
cubic
m-3m
9,149.008879
false
[CIF] data_NaSr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93669566 _cell_length_b 3.93669566 _cell_length_c 8.03520182 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSr2Ir _chemical_formula_sum 'Na1 Sr2 Ir1' _cell_volume 124.52612452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96834783 1.96834783 4.33463317 1 Na Na1 1 0.00000000 0.00000000 5.56606658 1 Sr Sr2 1 1.96834783 1.96834783 7.46786940 1 Sr Sr3 1 0.00000000 0.00000000 2.71943539 1 [/CIF]
IrNaSr2
P4mm
99
tetragonal
4mm
5,206.55498
false
[CIF] data_Sr2LiCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68825929 _cell_length_b 6.68825929 _cell_length_c 6.68825929 _cell_angle_alpha 135.94882793 _cell_angle_beta 135.94882793 _cell_angle_gamma 64.05945796 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2LiCd _chemical_formula_sum 'Sr2 Li1 Cd1' _cell_volume 142.68855394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 2.50823501 2.83506290 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 2.50823501 -0.00000000 2.83506290 1 Sr Sr3 1 0.00000000 -0.00000000 5.67012580 1 [/CIF]
CdLiSr2
I-4m2
119
tetragonal
-42m
3,428.316506
false
[CIF] data_K2TcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54618229 _cell_length_b 5.54618229 _cell_length_c 5.54618229 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TcNi _chemical_formula_sum 'K2 Tc1 Ni1' _cell_volume 120.63335943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96087155 1.96087156 1.96087156 1 K K1 1 5.88261467 5.88261467 5.88261467 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.92174311 3.92174311 3.92174311 1 [/CIF]
K2NiTc
Fm-3m
225
cubic
m-3m
3,245.775495
false
[CIF] data_NaLiAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47729265 _cell_length_b 3.47729265 _cell_length_c 6.80030459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiAg2 _chemical_formula_sum 'Na1 Li1 Ag2' _cell_volume 82.22631935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.24513106 1 Ag Ag1 1 1.73864632 1.73864632 1.76653852 1 Li Li2 1 0.00000000 0.00000000 3.01312901 1 Na Na3 1 1.73864632 1.73864632 5.17565831 1 [/CIF]
Ag2LiNa
P4mm
99
tetragonal
4mm
4,961.18439
false
[CIF] data_KVRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56137767 _cell_length_b 4.56137767 _cell_length_c 3.68452361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KVRh2 _chemical_formula_sum 'K1 V1 Rh2' _cell_volume 76.66081078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 2.28068883 1.84226181 1 Rh Rh2 1 2.28068883 0.00000000 1.84226181 1 V V3 1 2.28068883 2.28068883 0.00000000 1 [/CIF]
KRh2V
P4/mmm
123
tetragonal
4/mmm
6,408.382671
false
[CIF] data_Yb5Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18782279 _cell_length_b 7.18782279 _cell_length_c 7.18782279 _cell_angle_alpha 53.57105312 _cell_angle_beta 53.57105312 _cell_angle_gamma 53.57105312 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb5Mg _chemical_formula_sum 'Yb5 Mg1' _cell_volume 223.09703296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Yb Yb0 1 1.10152800 1.90790246 9.20697586 1 Yb Yb1 1 -2.20305600 0.00000000 9.20697586 1 Yb Yb2 1 1.10152800 -1.90790246 9.20697586 1 Yb Yb3 1 0.00000000 -0.00000000 6.16036913 1 Yb Yb4 1 -0.00000000 -0.00000000 12.25358258 1 Mg Mg5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MgYb5
R32
155
trigonal
32
6,621.217665
false
[CIF] data_SrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01329885 _cell_length_b 4.01329885 _cell_length_c 4.01329885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHg _chemical_formula_sum 'Sr1 Hg1' _cell_volume 64.64046928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00664942 2.00664942 2.00664942 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2Sr2
Pm-3m
221
cubic
m-3m
7,404.119795
false
[CIF] data_Si2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98183527 _cell_length_b 4.98183527 _cell_length_c 4.98183527 _cell_angle_alpha 147.98349641 _cell_angle_beta 129.82831237 _cell_angle_gamma 60.76553313 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2Au _chemical_formula_sum 'Si2 Au1' _cell_volume 49.88474505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Si Si1 1 0.00000000 0.00000000 2.86161048 1 Si Si2 1 -0.00000000 -0.00000000 5.73370768 1 [/CIF]
AuSi2
Immm
71
orthorhombic
mmm
8,426.319952
false
[CIF] data_YHfCoMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70215667 _cell_length_b 4.70215667 _cell_length_c 4.70215667 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfCoMo _chemical_formula_sum 'Y1 Hf1 Co1 Mo1' _cell_volume 73.51505537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 4.98739030 4.98739031 4.98739031 1 Mo Mo2 1 3.32492687 3.32492687 3.32492687 1 Y Y3 1 1.66246344 1.66246344 1.66246344 1 [/CIF]
CoHfMoY
F-43m
216
cubic
-43m
9,538.555784
false
[CIF] data_Sb2AsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29837993 _cell_length_b 5.29837993 _cell_length_c 5.29837993 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2AsPb _chemical_formula_sum 'Sb2 As1 Pb1' _cell_volume 105.17542940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.74652038 3.74652038 3.74652038 1 Sb Sb2 1 5.61978057 5.61978057 5.61978057 1 Sb Sb3 1 1.87326019 1.87326019 1.87326019 1 [/CIF]
AsPbSb2
Fm-3m
225
cubic
m-3m
8,298.976451
false
[CIF] data_LiTiCdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52616252 _cell_length_b 4.52616252 _cell_length_c 4.52616252 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiCdPd _chemical_formula_sum 'Li1 Ti1 Cd1 Pd1' _cell_volume 65.56550853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20048021 3.20048021 3.20048021 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.60024010 1.60024011 1.60024011 1 Ti Ti3 1 4.80072032 4.80072032 4.80072031 1 [/CIF]
CdLiPdTi
F-43m
216
cubic
-43m
6,930.293989
false
[CIF] data_KSrBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90168835 _cell_length_b 5.90168835 _cell_length_c 4.16322529 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrBi2 _chemical_formula_sum 'K1 Sr1 Bi2' _cell_volume 145.00482619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95084418 0.00000000 2.08161264 1 Bi Bi1 1 0.00000000 2.95084418 2.08161264 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 2.95084418 2.95084418 0.00000000 1 [/CIF]
Bi2KSr
P4/mmm
123
tetragonal
4/mmm
6,237.453939
false
[CIF] data_HfFe3H _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63664372 _cell_length_b 4.63664372 _cell_length_c 4.63664372 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFe3H _chemical_formula_sum 'Hf1 Fe3 H1' _cell_volume 99.68072267 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.31832186 2.31832186 2.31832186 1 Fe Fe2 1 2.31832186 0.00000000 2.31832186 1 Fe Fe3 1 2.31832186 2.31832186 0.00000000 1 Fe Fe4 1 0.00000000 2.31832186 2.31832186 1 [/CIF]
Fe3HHf
Pm-3m
221
cubic
m-3m
5,781.075205
false
[CIF] data_Li2NbPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72490021 _cell_length_b 4.30454997 _cell_length_c 5.22627230 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2NbPt _chemical_formula_sum 'Li2 Nb1 Pt1' _cell_volume 61.30139954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 1.36245010 2.15227499 3.80060109 1 Li Li1 1 1.36245010 2.15227499 1.42567121 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 2.61313615 1 [/CIF]
Li2NbPt
Pmmm
47
orthorhombic
mmm
8,177.152298
false
[CIF] data_FeCu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28788033 _cell_length_b 4.28788033 _cell_length_c 4.28788033 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCu2Cl _chemical_formula_sum 'Fe1 Cu2 Cl1' _cell_volume 55.74590514 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 3.03198926 3.03198926 3.03198926 1 Cu Cu2 1 1.51599463 1.51599463 1.51599463 1 Fe Fe3 1 4.54798389 4.54798389 4.54798389 1 [/CIF]
ClCu2Fe
F-43m
216
cubic
-43m
6,505.323142
false
[CIF] data_Li2ZrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89609688 _cell_length_b 4.89609688 _cell_length_c 4.89609688 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZrPb _chemical_formula_sum 'Li2 Zr1 Pb1' _cell_volume 82.99176676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 5.19309496 5.19309496 5.19309496 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 1.73103165 1.73103165 1.73103165 1 Zr Zr3 1 3.46206330 3.46206330 3.46206330 1 [/CIF]
Li2PbZr
F-43m
216
cubic
-43m
6,248.783955
false
[CIF] data_MnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42652997 _cell_length_b 6.42652997 _cell_length_c 8.75792767 _cell_angle_alpha 127.14947867 _cell_angle_beta 127.14947867 _cell_angle_gamma 30.81841655 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSe2 _chemical_formula_sum 'Mn2 Se4' _cell_volume 144.44599052 _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 Mn Mn0 1 5.54959244 -0.00000000 2.46631599 1 Mn Mn1 1 1.35534261 -0.00000000 4.36040276 1 Se Se2 1 11.29101943 -0.00000000 0.82609577 1 Se Se3 1 -1.09264163 -0.00000000 4.18469708 1 Se Se4 1 7.99757668 -0.00000000 2.64202167 1 Se Se5 1 -4.38608437 -0.00000000 6.00062297 1 [/CIF]
Mn2Se4
C2/m
12
monoclinic
2/m
4,893.996685
false
[CIF] data_VMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25439215 _cell_length_b 4.25439215 _cell_length_c 4.25439215 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VMoW _chemical_formula_sum 'V1 Mo1 W1' _cell_volume 54.44995918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.51246431 4.51246431 4.51246431 1 V V1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 3.00830954 3.00830954 3.00830954 1 [/CIF]
MoVW
F-43m
216
cubic
-43m
10,086.493911
false
[CIF] data_Li2GeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71258790 _cell_length_b 4.71258790 _cell_length_c 4.71258790 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2GeCl _chemical_formula_sum 'Li2 Ge1 Cl1' _cell_volume 74.00539709 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 3.33230286 3.33230286 3.33230286 1 Li Li2 1 1.66615143 1.66615143 1.66615143 1 Li Li3 1 4.99845429 4.99845429 4.99845429 1 [/CIF]
ClGeLi2
Fm-3m
225
cubic
m-3m
2,736.884884
false
[CIF] data_BRh3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19877958 _cell_length_b 4.19877958 _cell_length_c 4.19877958 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BRh3Pb _chemical_formula_sum 'B1 Rh3 Pb1' _cell_volume 74.02343414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09938979 2.09938979 2.09938979 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 0.00000000 2.09938979 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 2.09938979 1 Rh Rh4 1 2.09938979 0.00000000 0.00000000 1 [/CIF]
BPbRh3
Pm-3m
221
cubic
m-3m
11,815.874275
false
[CIF] data_InTcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38259219 _cell_length_b 4.38259219 _cell_length_c 4.38259219 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTcRh _chemical_formula_sum 'In1 Tc1 Rh1' _cell_volume 59.52209175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.64844099 4.64844099 4.64844099 1 Rh Rh1 1 3.09896066 3.09896066 3.09896066 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InRhTc
F-43m
216
cubic
-43m
8,833.29149
false
[CIF] data_Ba2SiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77998657 _cell_length_b 5.77998657 _cell_length_c 5.77998657 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SiSn _chemical_formula_sum 'Ba2 Si1 Sn1' _cell_volume 136.54175811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.08706770 4.08706770 4.08706770 1 Ba Ba1 1 6.13060155 6.13060155 6.13060155 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 2.04353385 2.04353385 2.04353385 1 [/CIF]
Ba2SiSn
F-43m
216
cubic
-43m
5,125.416349
false
[CIF] data_TlGeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82531263 _cell_length_b 4.82531263 _cell_length_c 4.82531263 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGeP2 _chemical_formula_sum 'Tl1 Ge1 P2' _cell_volume 79.44404897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 5.11801692 5.11801692 5.11801692 1 P P2 1 1.70600564 1.70600564 1.70600564 1 Tl Tl3 1 3.41201128 3.41201128 3.41201128 1 [/CIF]
GeP2Tl
Fm-3m
225
cubic
m-3m
7,085.166264
false
[CIF] data_KZn2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71197666 _cell_length_b 5.71197666 _cell_length_c 5.71197666 _cell_angle_alpha 134.62611711 _cell_angle_beta 122.14439322 _cell_angle_gamma 76.43594380 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZn2Hg _chemical_formula_sum 'K1 Zn2 Hg1' _cell_volume 109.26545748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.48768803 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 -0.00000000 2.76292398 1.92334545 1 Zn Zn3 1 2.20308525 0.00000000 2.56434258 1 [/CIF]
HgKZn2
Immm
71
orthorhombic
mmm
5,629.810999
false
[CIF] data_SrTiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18892785 _cell_length_b 3.18892785 _cell_length_c 8.20365340 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiGe2 _chemical_formula_sum 'Sr1 Ti1 Ge2' _cell_volume 83.42509120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.59446392 1.59446392 1.73349398 1 Ge Ge1 1 1.59446392 1.59446392 6.47015942 1 Sr Sr2 1 0.00000000 0.00000000 4.10182670 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2SrTi
P4/mmm
123
tetragonal
4/mmm
5,588.541353
false
[CIF] data_TiMnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72623417 _cell_length_b 4.72623417 _cell_length_c 4.72623417 _cell_angle_alpha 132.43680056 _cell_angle_beta 132.43680056 _cell_angle_gamma 69.54001665 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnPd2 _chemical_formula_sum 'Ti1 Mn1 Pd2' _cell_volume 56.40758978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.88235484 1 Pd Pd1 1 1.90586073 0.00000000 1.94117742 1 Pd Pd2 1 -0.00000000 1.90586074 1.94117742 1 Ti Ti3 1 0.00000000 0.00000000 -0.00000000 1 [/CIF]
MnPd2Ti
I4/mmm
139
tetragonal
4/mmm
9,292.1362
false
[CIF] data_CoAg2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69797120 _cell_length_b 4.69797120 _cell_length_c 4.69797120 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAg2Pb _chemical_formula_sum 'Co1 Ag2 Pb1' _cell_volume 73.31891865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32196729 3.32196729 3.32196729 1 Ag Ag1 1 1.66098365 1.66098365 1.66098364 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 4.98295094 4.98295094 4.98295094 1 [/CIF]
Ag2CoPb
F-43m
216
cubic
-43m
10,913.462749
false
[CIF] data_SrHf2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.99903704 _cell_length_b 10.99903704 _cell_length_c 10.99903704 _cell_angle_alpha 16.90958395 _cell_angle_beta 16.90958395 _cell_angle_gamma 16.90958395 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf2Al _chemical_formula_sum 'Sr1 Hf2 Al1' _cell_volume 98.19960778 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 24.01671805 1 Hf Hf2 1 -0.00000000 0.00000000 8.50137210 1 Sr Sr3 1 0.00000000 0.00000000 16.25904508 1 [/CIF]
AlHf2Sr
R-3m
166
trigonal
-3m
7,974.365534
false
[CIF] data_CaPd4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46109353 _cell_length_b 5.46109353 _cell_length_c 5.46109353 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPd4Pb _chemical_formula_sum 'Ca1 Pd4 Pb1' _cell_volume 115.16588431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.93078814 1.93078814 1.93078814 1 Pd Pd2 1 2.89758228 2.89758228 4.82557026 1 Pd Pd3 1 2.89758228 4.82557026 2.89758228 1 Pd Pd4 1 4.82557026 2.89758228 2.89758228 1 Pd Pd5 1 4.82557026 4.82557026 4.82557026 1 [/CIF]
CaPbPd4
F-43m
216
cubic
-43m
9,703.16041
false
[CIF] data_SbAsSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74144101 _cell_length_b 4.18062425 _cell_length_c 5.92651415 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.75453325 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbAsSe2 _chemical_formula_sum 'Sb1 As1 Se2' _cell_volume 113.06330090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.89285069 0.00000000 2.71258077 1 Sb Sb1 1 2.14194308 2.09031212 1.52568981 1 Se Se2 1 0.22109627 0.00000000 0.59333745 1 Se Se3 1 0.81327149 2.09031212 3.72420790 1 [/CIF]
AsSbSe2
Pm
6
monoclinic
m
5,207.965849
false
[CIF] data_ZrIrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87075500 _cell_length_b 4.10215651 _cell_length_c 5.61412175 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.96659443 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrIrPd2 _chemical_formula_sum 'Zr1 Ir1 Pd2' _cell_volume 66.10409722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.04735359 0.00000000 2.80666143 1 Pd Pd1 1 1.37477174 2.05107826 4.15576902 1 Pd Pd2 1 1.40127608 2.05107826 1.45755384 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrPd2Zr
P2/m
10
monoclinic
2/m
12,466.609834
false
[CIF] data_YHfCoAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70899451 _cell_length_b 4.70899451 _cell_length_c 4.70899451 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfCoAg _chemical_formula_sum 'Y1 Hf1 Co1 Ag1' _cell_volume 73.83623686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66488097 1.66488098 1.66488098 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 3.32976195 3.32976195 3.32976195 1 Y Y3 1 4.99464293 4.99464293 4.99464293 1 [/CIF]
AgCoHfY
F-43m
216
cubic
-43m
9,764.873166
false
[CIF] data_VHgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88543305 _cell_length_b 4.88543305 _cell_length_c 4.88543305 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VHgTe _chemical_formula_sum 'V1 Hg1 Te1' _cell_volume 82.45067224 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72726142 1.72726142 1.72726142 1 Te Te1 1 3.45452284 3.45452284 3.45452284 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgTeV
F-43m
216
cubic
-43m
7,635.628067
false
[CIF] data_MgVHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82789856 _cell_length_b 4.82789856 _cell_length_c 4.82789856 _cell_angle_alpha 120.91139577 _cell_angle_beta 120.91139577 _cell_angle_gamma 88.42853434 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgVHg2 _chemical_formula_sum 'Mg1 V1 Hg2' _cell_volume 78.44366177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.38061934 1.73016673 1 Hg Hg1 1 2.38061934 -0.00000000 1.73016673 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 3.46033346 1 [/CIF]
Hg2MgV
I4/mmm
139
tetragonal
4/mmm
10,085.261164
false
[CIF] data_FeRe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71937842 _cell_length_b 4.71937842 _cell_length_c 4.71937842 _cell_angle_alpha 99.71492859 _cell_angle_beta 99.71492859 _cell_angle_gamma 131.49139789 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRe4 _chemical_formula_sum 'Fe1 Re4' _cell_volume 71.78522201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.24758318 3.63789192 0.00000000 1 Re Re2 1 1.79495912 -0.59534962 1.93866070 1 Re Re3 1 2.44719269 1.24758318 -0.00000000 1 Re Re4 1 0.59534962 1.79495912 1.93866069 1 [/CIF]
FeRe4
I4/m
87
tetragonal
4/m
18,521.204766
false
[CIF] data_Mg2AlV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01779066 _cell_length_b 4.01779066 _cell_length_c 4.28076940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2AlV _chemical_formula_sum 'Mg2 Al1 V1' _cell_volume 69.10292700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 0.00000000 2.00889533 2.14038470 1 Mg Mg2 1 2.00889533 0.00000000 2.14038470 1 V V3 1 2.00889533 2.00889533 0.00000000 1 [/CIF]
AlMg2V
P4/mmm
123
tetragonal
4/mmm
3,040.5811
false
[CIF] data_YHfCrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01391836 _cell_length_b 5.01391836 _cell_length_c 5.01391836 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfCrPb _chemical_formula_sum 'Y1 Hf1 Cr1 Pb1' _cell_volume 89.12853658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.54537567 3.54537567 3.54537567 1 Pb Pb2 1 1.77268784 1.77268784 1.77268783 1 Y Y3 1 5.31806350 5.31806350 5.31806350 1 [/CIF]
CrHfPbY
F-43m
216
cubic
-43m
9,810.847779
false
[CIF] data_Sr2AsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88449572 _cell_length_b 5.88449572 _cell_length_c 5.88449572 _cell_angle_alpha 129.44219339 _cell_angle_beta 125.15908587 _cell_angle_gamma 77.81036062 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AsPb _chemical_formula_sum 'Sr2 As1 Pb1' _cell_volume 124.72974499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 0.00000000 4.57923435 1 Sr Sr2 1 0.00000000 2.70990881 2.40466394 1 Sr Sr3 1 2.51282646 -0.00000000 2.17457042 1 [/CIF]
AsPbSr2
Immm
71
orthorhombic
mmm
6,088.899633
false
[CIF] data_NiSnHgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67553048 _cell_length_b 4.67553048 _cell_length_c 4.67553048 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSnHgW _chemical_formula_sum 'Ni1 Sn1 Hg1 W1' _cell_volume 72.27326596 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30609931 3.30609931 3.30609931 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.65304966 1.65304965 1.65304965 1 W W3 1 4.95914896 4.95914896 4.95914896 1 [/CIF]
HgNiSnW
F-43m
216
cubic
-43m
12,908.594862
false
[CIF] data_Li2VCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40870266 _cell_length_b 4.40870266 _cell_length_c 2.36085236 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2VCr _chemical_formula_sum 'Li2 V1 Cr1' _cell_volume 45.88708261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20435133 2.20435133 0.00000000 1 Li Li1 1 2.20435133 0.00000000 1.18042618 1 Li Li2 1 0.00000000 2.20435133 1.18042618 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrLi2V
P4/mmm
123
tetragonal
4/mmm
4,227.409949
false
[CIF] data_ZrNbZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65444041 _cell_length_b 4.65444041 _cell_length_c 4.65444041 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbZnPd _chemical_formula_sum 'Zr1 Nb1 Zn1 Pd1' _cell_volume 71.29965476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.93677957 4.93677957 4.93677957 1 Pd Pd1 1 3.29118638 3.29118638 3.29118638 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.64559319 1.64559319 1.64559319 1 [/CIF]
NbPdZnZr
F-43m
216
cubic
-43m
8,289.469324
false
[CIF] data_LiNb2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47295824 _cell_length_b 4.47295824 _cell_length_c 4.47295824 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb2Tc _chemical_formula_sum 'Li1 Nb2 Tc1' _cell_volume 63.28044601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 3.16285910 3.16285910 3.16285910 1 Nb Nb2 1 4.74428865 4.74428865 4.74428865 1 Tc Tc3 1 1.58142955 1.58142955 1.58142955 1 [/CIF]
LiNb2Tc
F-43m
216
cubic
-43m
7,653.434644
false
[CIF] data_CrGe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51523287 _cell_length_b 4.51523287 _cell_length_c 4.51523287 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGe2Pt _chemical_formula_sum 'Cr1 Ge2 Pt1' _cell_volume 65.09167731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 3.19275178 3.19275178 3.19275178 1 Ge Ge2 1 1.59637589 1.59637589 1.59637589 1 Pt Pt3 1 4.78912767 4.78912767 4.78912767 1 [/CIF]
CrGe2Pt
F-43m
216
cubic
-43m
10,009.409823
false
[CIF] data_Mg2TlSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08886376 _cell_length_b 5.08886376 _cell_length_c 5.08886376 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TlSe _chemical_formula_sum 'Mg2 Tl1 Se1' _cell_volume 93.18531402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79918503 1.79918503 1.79918504 1 Mg Mg1 1 5.39755511 5.39755511 5.39755511 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.59837007 3.59837007 3.59837007 1 [/CIF]
Mg2SeTl
Fm-3m
225
cubic
m-3m
5,915.325057
false
[CIF] data_ScNbRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63009298 _cell_length_b 5.63009298 _cell_length_c 5.63009298 _cell_angle_alpha 146.99825879 _cell_angle_beta 146.99825879 _cell_angle_gamma 47.36636036 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbRu _chemical_formula_sum 'Sc1 Nb1 Ru1' _cell_volume 52.73831786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 0.00000000 10.13704317 1 Ru Ru1 1 0.00000000 -0.00000000 3.53752283 1 Sc Sc2 1 -0.00000000 0.00000000 6.94915260 1 [/CIF]
NbRuSc
I4mm
107
tetragonal
4mm
7,523.11691
false
[CIF] data_VCd2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19718503 _cell_length_b 3.19718503 _cell_length_c 7.43943837 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCd2Ga _chemical_formula_sum 'V1 Cd2 Ga1' _cell_volume 76.04588037 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59859252 1.59859252 7.24223329 1 Cd Cd1 1 0.00000000 0.00000000 1.95802447 1 Ga Ga2 1 1.59859252 1.59859252 4.05012525 1 V V3 1 0.00000000 0.00000000 5.34821291 1 [/CIF]
Cd2GaV
P4mm
99
tetragonal
4mm
7,544.04877
false
[CIF] data_KAl2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34704616 _cell_length_b 6.34704616 _cell_length_c 7.50478048 _cell_angle_alpha 125.79417749 _cell_angle_beta 125.79417749 _cell_angle_gamma 26.33195701 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAl2Ir _chemical_formula_sum 'K1 Al2 Ir1' _cell_volume 107.21705284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02073981 -0.00000000 1.11828187 1 Al Al1 1 8.47405895 -0.00000000 1.80142842 1 Ir Ir2 1 4.27255139 -0.00000000 1.60492510 1 K K3 1 -0.98849939 0.00000000 4.47548937 1 [/CIF]
Al2IrK
Cm
8
monoclinic
m
4,418.288674
false
[CIF] data_Ga2GeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35349283 _cell_length_b 5.35349283 _cell_length_c 5.35349283 _cell_angle_alpha 131.86459965 _cell_angle_beta 131.86459965 _cell_angle_gamma 70.44296126 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2GeCl _chemical_formula_sum 'Ga2 Ge1 Cl1' _cell_volume 83.38423046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 2.18323894 -0.00000000 2.18671106 1 Ga Ga2 1 0.00000000 -0.00000000 4.37342211 1 Ge Ge3 1 -0.00000000 2.18323894 2.18671106 1 [/CIF]
ClGa2Ge
I-4m2
119
tetragonal
-42m
4,929.567351
false
[CIF] data_SrZnRhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99909003 _cell_length_b 4.99909003 _cell_length_c 4.99909003 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnRhPb _chemical_formula_sum 'Sr1 Zn1 Rh1 Pb1' _cell_volume 88.34009799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53489046 3.53489046 3.53489046 1 Rh Rh1 1 1.76744523 1.76744523 1.76744523 1 Sr Sr2 1 5.30233569 5.30233569 5.30233569 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbRhSrZn
F-43m
216
cubic
-43m
8,705.04779
false
[CIF] data_Cd2CuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06779073 _cell_length_b 3.06779073 _cell_length_c 7.68649355 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2CuAg _chemical_formula_sum 'Cd2 Cu1 Ag1' _cell_volume 72.34020392 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.84324678 1 Cd Cd1 1 1.53389537 1.53389537 5.92248963 1 Cd Cd2 1 1.53389537 1.53389537 1.76400392 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCd2Cu
P4/mmm
123
tetragonal
4/mmm
9,095.435927
false
[CIF] data_HfWSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50572174 _cell_length_b 4.50572174 _cell_length_c 3.10181852 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfWSe _chemical_formula_sum 'Hf1 W1 Se1' _cell_volume 54.53505450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.60137967 1.55090926 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 2.25286085 1.30068984 0.00000000 1 [/CIF]
HfSeW
P-6m2
187
hexagonal
-6m2
13,436.848858
false
[CIF] data_Hf2TlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88687248 _cell_length_b 4.88687248 _cell_length_c 4.88687248 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TlPd _chemical_formula_sum 'Hf2 Tl1 Pd1' _cell_volume 82.52357276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45554067 3.45554067 3.45554067 1 Hf Hf1 1 5.18331101 5.18331101 5.18331101 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 1.72777034 1.72777034 1.72777034 1 [/CIF]
Hf2PdTl
F-43m
216
cubic
-43m
13,437.133423
false
[CIF] data_SrNbNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23132756 _cell_length_b 3.23132756 _cell_length_c 7.13354099 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbNi2 _chemical_formula_sum 'Sr1 Nb1 Ni2' _cell_volume 74.48470988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.56677050 1 Ni Ni1 1 1.61566378 1.61566378 4.81089707 1 Ni Ni2 1 1.61566378 1.61566378 2.32264392 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbNi2Sr
P4/mmm
123
tetragonal
4/mmm
6,641.584221
false
[CIF] data_NiMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23403568 _cell_length_b 6.23403568 _cell_length_c 6.23403568 _cell_angle_alpha 141.92438330 _cell_angle_beta 141.92438330 _cell_angle_gamma 54.94271944 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiMo4 _chemical_formula_sum 'Ni1 Mo4' _cell_volume 91.48636066 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03349264 -0.00000000 2.76554770 1 Mo Mo1 1 0.00000000 -0.00000000 4.27659318 1 Mo Mo2 1 0.00000000 -0.00000000 6.78559760 1 Mo Mo3 1 0.00000000 2.03349264 2.76554770 1 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo4Ni
I4/mmm
139
tetragonal
4/mmm
8,032.279279
false
[CIF] data_SiOs2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32516128 _cell_length_b 4.32516128 _cell_length_c 4.32516128 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiOs2Se _chemical_formula_sum 'Si1 Os2 Se1' _cell_volume 57.21263116 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.52917544 1.52917544 1.52917544 1 Os Os1 1 4.58752631 4.58752631 4.58752631 1 Se Se2 1 3.05835087 3.05835087 3.05835087 1 Si Si3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Os2SeSi
Fm-3m
225
cubic
m-3m
14,149.356733
false
[CIF] data_VGeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89927485 _cell_length_b 2.89927485 _cell_length_c 10.20314571 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGeCl2 _chemical_formula_sum 'V1 Ge1 Cl2' _cell_volume 85.76554768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44963743 1.44963743 1.46433823 1 Cl Cl1 1 1.44963743 1.44963743 8.73880748 1 Ge Ge2 1 0.00000000 0.00000000 5.10157285 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2GeV
P4/mmm
123
tetragonal
4/mmm
3,765.545728
false
[CIF] data_Ba2HfCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74820944 _cell_length_b 3.74820944 _cell_length_c 9.91962011 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2HfCl _chemical_formula_sum 'Ba2 Hf1 Cl1' _cell_volume 139.36147704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87410472 1.87410472 7.65028878 1 Ba Ba1 1 1.87410472 1.87410472 2.26933133 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Hf Hf3 1 0.00000000 0.00000000 4.95981006 1 [/CIF]
Ba2ClHf
P4/mmm
123
tetragonal
4/mmm
5,821.803236
false
[CIF] data_Sr3TiAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16706674 _cell_length_b 6.16706674 _cell_length_c 6.16706674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3TiAl _chemical_formula_sum 'Sr3 Ti1 Al1' _cell_volume 234.55027429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 3.08353337 0.00000000 1 Sr Sr1 1 0.00000000 0.00000000 3.08353337 1 Sr Sr2 1 3.08353337 0.00000000 0.00000000 1 Al Al3 1 0.00000000 0.00000000 0.00000000 1 Ti Ti4 1 3.08353337 3.08353337 3.08353337 1 [/CIF]
AlSr3Ti
Pm-3m
221
cubic
m-3m
2,390.865767
false
[CIF] data_K2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22581876 _cell_length_b 6.22581876 _cell_length_c 2.71597400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2W _chemical_formula_sum 'K2 W1' _cell_volume 91.16941890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.59447813 1.78674274 1 K K1 1 3.11290938 1.79723907 0.92923126 1 W W2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2W
P-3m1
164
trigonal
-3m
4,772.67505
false
[CIF] data_Sc5Co2Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58483755 _cell_length_b 8.58483755 _cell_length_c 8.58483755 _cell_angle_alpha 99.69802118 _cell_angle_beta 91.72846423 _cell_angle_gamma 143.26226241 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Co2Si3 _chemical_formula_sum 'Sc10 Co4 Si6' _cell_volume 358.10708808 _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 Co Co0 1 2.07100238 3.23175738 2.70536927 1 Co Co1 1 3.46453610 2.74638837 0.00000000 1 Co Co2 1 3.46453610 -2.74638837 2.70536927 1 Co Co3 1 2.07100238 8.72453412 -0.00000000 1 Sc Sc4 1 5.53553848 -0.00000000 1.35268464 1 Sc Sc5 1 0.00000000 5.97814575 1.35268463 1 Sc Sc6 1 5.53553848 3.26305046 -1.35268464 1 Sc Sc7 1 -0.00000000 2.71509529 1.35268463 1 Sc Sc8 1 0.00000000 2.71509529 4.05805390 1 Sc Sc9 1 5.53553848 3.26305046 1.35268463 1 Sc Sc10 1 2.31717430 -0.76805064 2.70536927 1 Sc Sc11 1 3.21836418 6.74619639 0.00000000 1 Sc Sc12 1 3.21836418 5.21009511 2.70536927 1 Sc Sc13 1 2.31717430 0.76805064 -0.00000000 1 Si Si14 1 0.00000000 0.00000000 1.35268463 1 Si Si15 1 -0.00000000 0.00000000 4.05805390 1 Si Si16 1 3.66335305 1.68245216 2.70536927 1 Si Si17 1 1.87218543 4.29569359 0.00000000 1 Si Si18 1 7.40772391 1.68245216 -0.00000000 1 Si Si19 1 -1.87218543 4.29569359 2.70536927 1 [/CIF]
Co4Sc10Si6
Ibam
72
orthorhombic
mmm
3,959.084975
false
[CIF] data_Re22Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.04011083 _cell_length_b 10.04011083 _cell_length_c 10.04011083 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re22Rh _chemical_formula_sum 'Re44 Rh2' _cell_volume 715.64974773 _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 Re Re0 1 6.19053786 2.74828310 8.00832304 1 Re Re1 1 8.00832304 2.74828310 6.19053786 1 Re Re2 1 8.00832304 11.45057780 8.00832304 1 Re Re3 1 6.19053786 11.45057780 6.19053786 1 Re Re4 1 2.74828310 6.19053786 8.00832304 1 Re Re5 1 2.74828310 8.00832304 6.19053786 1 Re Re6 1 11.45057780 6.19053786 6.19053786 1 Re Re7 1 11.45057780 8.00832304 8.00832304 1 Re Re8 1 6.19053786 6.19053786 11.45057780 1 Re Re9 1 8.00832304 8.00832304 11.45057780 1 Re Re10 1 6.19053786 8.00832304 2.74828310 1 Re Re11 1 8.00832304 6.19053786 2.74828310 1 Re Re12 1 9.74025309 7.90086258 4.45860781 1 Re Re13 1 4.45860781 7.90086258 9.74025309 1 Re Re14 1 9.74025309 6.29799832 9.74025309 1 Re Re15 1 4.45860781 6.29799832 4.45860781 1 Re Re16 1 9.74025309 4.45860781 7.90086258 1 Re Re17 1 4.45860781 9.74025309 7.90086258 1 Re Re18 1 4.45860781 4.45860781 6.29799832 1 Re Re19 1 9.74025309 9.74025309 6.29799832 1 Re Re20 1 6.29799832 4.45860781 4.45860781 1 Re Re21 1 6.29799832 9.74025309 9.74025309 1 Re Re22 1 7.90086258 9.74025309 4.45860781 1 Re Re23 1 7.90086258 4.45860781 9.74025309 1 Re Re24 1 5.12556842 7.09943045 7.09943045 1 Re Re25 1 9.07329248 7.09943045 7.09943045 1 Re Re26 1 7.09943045 7.09943045 9.07329248 1 Re Re27 1 7.09943045 7.09943045 5.12556842 1 Re Re28 1 7.09943045 5.12556842 7.09943045 1 Re Re29 1 7.09943045 9.07329248 7.09943045 1 Re Re30 1 10.64914568 10.64914568 12.62300771 1 Re Re31 1 10.64914568 10.64914568 8.67528364 1 Re Re32 1 8.67528364 10.64914568 10.64914568 1 Re Re33 1 12.62300771 10.64914568 10.64914568 1 Re Re34 1 10.64914568 12.62300771 10.64914568 1 Re Re35 1 10.64914568 8.67528364 10.64914568 1 Re Re36 1 5.32457284 5.32457284 1.77485761 1 Re Re37 1 1.77485761 5.32457284 5.32457284 1 Re Re38 1 1.77485761 1.77485761 1.77485761 1 Re Re39 1 5.32457284 1.77485761 5.32457284 1 Re Re40 1 5.32457284 5.32457284 8.87428806 1 Re Re41 1 8.87428806 5.32457284 5.32457284 1 Re Re42 1 8.87428806 8.87428806 8.87428806 1 Re Re43 1 5.32457284 8.87428806 5.32457284 1 Rh Rh44 1 0.00000000 0.00000000 0.00000000 1 Rh Rh45 1 3.54971523 3.54971523 3.54971523 1 [/CIF]
Re44Rh2
Fd-3m
227
cubic
m-3m
19,488.210764
false
[CIF] data_LiTc2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40703824 _cell_length_b 4.67561293 _cell_length_c 4.67014090 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.47715625 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTc2Te _chemical_formula_sum 'Li1 Tc2 Te1' _cell_volume 73.76271092 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 0.95909726 2.33780646 0.84390223 1 Tc Tc2 1 1.84021137 2.33780646 3.78652763 1 Te Te3 1 1.39965431 0.00000000 2.31521493 1 [/CIF]
LiTc2Te
P2/m
10
monoclinic
2/m
7,481.907833
false
[CIF] data_Tc3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79802647 _cell_length_b 3.88682871 _cell_length_c 4.72162422 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc3C _chemical_formula_sum 'Tc3 C1' _cell_volume 51.34978631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 Tc Tc1 1 1.39901323 1.94341436 3.60147766 1 Tc Tc2 1 0.00000000 0.00000000 2.36081211 1 Tc Tc3 1 1.39901323 1.94341436 1.12014656 1 [/CIF]
CTc3
Pmmm
47
orthorhombic
mmm
9,983.626039
false