# generated using pymatgen data_Sc22CoIr6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42396856 _cell_length_b 9.42396878 _cell_length_c 9.42396919 _cell_angle_alpha 60.00000204 _cell_angle_beta 60.00000126 _cell_angle_gamma 60.00000363 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22CoIr6Ru _chemical_formula_sum 'Sc22 Co1 Ir6 Ru1' _cell_volume 591.81579177 _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 0.80403861 0.80403861 0.19596139 1.0 Sc Sc1 1 0.19596139 0.80403861 0.19596139 1.0 Sc Sc2 1 0.80403861 0.19596139 0.19596139 1.0 Sc Sc3 1 0.19596139 0.19596139 0.80403861 1.0 Sc Sc4 1 0.80403861 0.19596139 0.80403861 1.0 Sc Sc5 1 0.19596139 0.80403861 0.80403861 1.0 Sc Sc6 1 0.61521334 0.61521334 0.15435898 1.0 Sc Sc7 1 0.61521334 0.15435898 0.61521334 1.0 Sc Sc8 1 0.15435898 0.61521334 0.61521334 1.0 Sc Sc9 1 0.61521334 0.61521334 0.61521334 1.0 Sc Sc10 1 0.38478666 0.38478666 0.84564102 1.0 Sc Sc11 1 0.38478666 0.84564102 0.38478666 1.0 Sc Sc12 1 0.84564102 0.38478666 0.38478666 1.0 Sc Sc13 1 0.38478666 0.38478666 0.38478666 1.0 Sc Sc14 1 0.84309300 0.84309300 0.47072101 1.0 Sc Sc15 1 0.84309300 0.47072101 0.84309300 1.0 Sc Sc16 1 0.47072101 0.84309300 0.84309300 1.0 Sc Sc17 1 0.84309300 0.84309300 0.84309300 1.0 Sc Sc18 1 0.15690700 0.15690700 0.52927899 1.0 Sc Sc19 1 0.15690700 0.52927899 0.15690700 1.0 Sc Sc20 1 0.52927899 0.15690700 0.15690700 1.0 Sc Sc21 1 0.15690700 0.15690700 0.15690700 1.0 Co Co22 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir23 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir26 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.00000000 1.0 Ru Ru29 1 0.00000000 0.00000000 0.00000000 1.0