# generated using pymatgen data_Sm3Ga6Ni7Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81327313 _cell_length_b 8.95204446 _cell_length_c 4.11531448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.52223789 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Ga6Ni7Ir2 _chemical_formula_sum 'Sm3 Ga6 Ni7 Ir2' _cell_volume 279.69425332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.66669530 0.33282388 0.50000000 1.0 Sm Sm1 1 0.33330470 0.66612958 0.50000000 1.0 Sm Sm2 1 0.00000000 0.99102713 0.00000000 1.0 Ga Ga3 1 0.27105762 0.27653466 0.50000000 1.0 Ga Ga4 1 0.72894238 0.00547704 0.50000000 1.0 Ga Ga5 1 1.00000000 0.71794694 0.50000000 1.0 Ga Ga6 1 0.52636709 0.53252710 0.00000000 1.0 Ga Ga7 1 0.47363291 0.00616001 0.00000000 1.0 Ga Ga8 1 0.00000000 0.47006078 0.00000000 1.0 Ni Ni9 1 0.80183279 0.17015994 0.00000000 1.0 Ni Ni10 1 0.83246095 0.61622742 0.00000000 1.0 Ni Ni11 1 0.37895744 0.21818393 0.00000000 1.0 Ni Ni12 1 0.16753905 0.78376747 0.00000000 1.0 Ni Ni13 1 0.62104256 0.83922749 0.00000000 1.0 Ni Ni14 1 0.19816721 0.36832815 0.00000000 1.0 Ni Ni15 1 0.00000000 0.28738143 0.50000000 1.0 Ir Ir16 1 0.71118519 0.71461062 0.50000000 1.0 Ir Ir17 1 0.28881481 0.00342543 0.50000000 1.0