# generated using pymatgen data_Sc8GaIr4Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46033756 _cell_length_b 4.54772278 _cell_length_c 9.11558122 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99936853 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8GaIr4Ru3 _chemical_formula_sum 'Sc8 Ga1 Ir4 Ru3' _cell_volume 267.81417429 _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 0.99091321 0.75000000 0.12499833 1.0 Sc Sc1 1 0.50900967 0.75000000 0.12500525 1.0 Sc Sc2 1 0.99612599 0.25000000 0.38016656 1.0 Sc Sc3 1 0.50378610 0.25000000 0.38018026 1.0 Sc Sc4 1 0.49976478 0.75000000 0.62500415 1.0 Sc Sc5 1 0.00033791 0.75000000 0.62499502 1.0 Sc Sc6 1 0.50386971 0.25000000 0.86983492 1.0 Sc Sc7 1 0.99622094 0.25000000 0.86981748 1.0 Ga Ga8 1 0.24992946 0.25000000 0.12500571 1.0 Ir Ir9 1 0.74996337 0.25000000 0.12499516 1.0 Ir Ir10 1 0.24996701 0.75000000 0.37216447 1.0 Ir Ir11 1 0.75003755 0.25000000 0.62499766 1.0 Ir Ir12 1 0.25003719 0.75000000 0.87783934 1.0 Ru Ru13 1 0.74996866 0.75000000 0.37459509 1.0 Ru Ru14 1 0.25003604 0.25000000 0.62499041 1.0 Ru Ru15 1 0.75003441 0.75000000 0.87540521 1.0