# generated using pymatgen data_Y3(GaIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55862393 _cell_length_b 7.75214959 _cell_length_c 13.68082943 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3(GaIr)2 _chemical_formula_sum 'Y12 Ga8 Ir8' _cell_volume 589.52450872 _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 Y Y0 1 0.62154961 0.26452732 0.25000000 1.0 Y Y1 1 0.37845039 0.73547268 0.75000000 1.0 Y Y2 1 0.37845039 0.76452732 0.25000000 1.0 Y Y3 1 0.62154961 0.23547268 0.75000000 1.0 Y Y4 1 0.15045714 0.39970470 0.09862492 1.0 Y Y5 1 0.84954286 0.60029530 0.90137508 1.0 Y Y6 1 0.84954286 0.60029530 0.59862492 1.0 Y Y7 1 0.84954286 0.89970470 0.40137508 1.0 Y Y8 1 0.15045714 0.39970470 0.40137508 1.0 Y Y9 1 0.15045714 0.10029530 0.59862492 1.0 Y Y10 1 0.15045714 0.10029530 0.90137508 1.0 Y Y11 1 0.84954286 0.89970470 0.09862492 1.0 Ga Ga12 1 0.12133534 0.10669248 0.25000000 1.0 Ga Ga13 1 0.87866466 0.89330752 0.75000000 1.0 Ga Ga14 1 0.87866466 0.60669248 0.25000000 1.0 Ga Ga15 1 0.12133534 0.39330752 0.75000000 1.0 Ga Ga16 1 0.63260343 0.25000000 0.00000000 1.0 Ga Ga17 1 0.36739657 0.75000000 0.00000000 1.0 Ga Ga18 1 0.36739657 0.75000000 0.50000000 1.0 Ga Ga19 1 0.63260343 0.25000000 0.50000000 1.0 Ir Ir20 1 0.35107257 0.03532275 0.09311560 1.0 Ir Ir21 1 0.64892743 0.96467725 0.90688440 1.0 Ir Ir22 1 0.64892743 0.96467725 0.59311560 1.0 Ir Ir23 1 0.64892743 0.53532275 0.40688440 1.0 Ir Ir24 1 0.35107257 0.03532275 0.40688440 1.0 Ir Ir25 1 0.35107257 0.46467725 0.59311560 1.0 Ir Ir26 1 0.35107257 0.46467725 0.90688440 1.0 Ir Ir27 1 0.64892743 0.53532275 0.09311560 1.0