# generated using pymatgen data_Sc4Ga18NiIr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39563539 _cell_length_b 7.39563476 _cell_length_c 9.29329991 _cell_angle_alpha 90.23627379 _cell_angle_beta 90.23627191 _cell_angle_gamma 120.18254466 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Ga18NiIr5 _chemical_formula_sum 'Sc4 Ga18 Ni1 Ir5' _cell_volume 439.37452963 _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 Sc Sc0 1 0.99781900 0.66363463 0.24993725 1.0 Sc Sc1 1 0.00218100 0.33636537 0.75006275 1.0 Sc Sc2 1 0.66363463 0.99781900 0.24993725 1.0 Sc Sc3 1 0.33636537 0.00218100 0.75006275 1.0 Ga Ga4 1 0.11455070 0.11455070 0.24448409 1.0 Ga Ga5 1 0.88544930 0.88544930 0.75551591 1.0 Ga Ga6 1 0.99690617 0.32786062 0.08024719 1.0 Ga Ga7 1 0.00309383 0.67213938 0.91975281 1.0 Ga Ga8 1 0.00287586 0.66790940 0.58246322 1.0 Ga Ga9 1 0.33209060 0.99712414 0.41753678 1.0 Ga Ga10 1 0.99712414 0.33209060 0.41753678 1.0 Ga Ga11 1 0.66790940 0.00287586 0.58246322 1.0 Ga Ga12 1 0.67213938 0.00309383 0.91975281 1.0 Ga Ga13 1 0.32786062 0.99690617 0.08024719 1.0 Ga Ga14 1 0.33101250 0.33101250 0.57426999 1.0 Ga Ga15 1 0.66898750 0.66898750 0.42573001 1.0 Ga Ga16 1 0.67619544 0.67619544 0.07327516 1.0 Ga Ga17 1 0.32380456 0.32380456 0.92672484 1.0 Ga Ga18 1 0.33654023 0.54412145 0.24888361 1.0 Ga Ga19 1 0.66345977 0.45587855 0.75111639 1.0 Ga Ga20 1 0.54412145 0.33654023 0.24888361 1.0 Ga Ga21 1 0.45587855 0.66345977 0.75111639 1.0 Ni Ni22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.67113771 0.32886229 0.00000000 1.0 Ir Ir24 1 0.32886229 0.67113771 0.00000000 1.0 Ir Ir25 1 0.32868689 0.67131311 0.50000000 1.0 Ir Ir26 1 0.67131311 0.32868689 0.50000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0