# generated using pymatgen data_Th2Ga12Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13886594 _cell_length_b 6.13886594 _cell_length_c 15.03768108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Ga12Cu _chemical_formula_sum 'Th4 Ga24 Cu2' _cell_volume 566.70516166 _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 Th Th0 1 0.00000000 0.50000000 0.75488264 1.0 Th Th1 1 0.50000000 0.00000000 0.75488264 1.0 Th Th2 1 0.00000000 0.50000000 0.24511736 1.0 Th Th3 1 0.50000000 0.00000000 0.24511736 1.0 Ga Ga4 1 0.67241136 0.17241136 0.42830230 1.0 Ga Ga5 1 0.67241136 0.82758864 0.57169770 1.0 Ga Ga6 1 0.17241136 0.67241136 0.57169770 1.0 Ga Ga7 1 0.82758864 0.32758864 0.57169770 1.0 Ga Ga8 1 0.50000000 0.50000000 0.17992341 1.0 Ga Ga9 1 0.50000000 0.50000000 0.82007659 1.0 Ga Ga10 1 0.00000000 0.00000000 0.82007659 1.0 Ga Ga11 1 0.00000000 0.00000000 0.17992341 1.0 Ga Ga12 1 0.50000000 0.50000000 0.34222220 1.0 Ga Ga13 1 0.50000000 0.50000000 0.65777780 1.0 Ga Ga14 1 0.00000000 0.00000000 0.65777780 1.0 Ga Ga15 1 0.00000000 0.00000000 0.34222220 1.0 Ga Ga16 1 0.25065718 0.75065718 0.91427931 1.0 Ga Ga17 1 0.24934282 0.25065718 0.91427931 1.0 Ga Ga18 1 0.75065718 0.74934282 0.91427931 1.0 Ga Ga19 1 0.25065718 0.24934282 0.08572069 1.0 Ga Ga20 1 0.74934282 0.75065718 0.08572069 1.0 Ga Ga21 1 0.74934282 0.24934282 0.91427931 1.0 Ga Ga22 1 0.75065718 0.25065718 0.08572069 1.0 Ga Ga23 1 0.24934282 0.74934282 0.08572069 1.0 Ga Ga24 1 0.32758864 0.82758864 0.42830230 1.0 Ga Ga25 1 0.17241136 0.32758864 0.42830230 1.0 Ga Ga26 1 0.82758864 0.67241136 0.42830230 1.0 Ga Ga27 1 0.32758864 0.17241136 0.57169770 1.0 Cu Cu28 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu29 1 0.00000000 0.50000000 0.00000000 1.0