# generated using pymatgen data_Sc22Co3Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41369953 _cell_length_b 9.36508314 _cell_length_c 9.36508268 _cell_angle_alpha 60.10130713 _cell_angle_beta 59.82811713 _cell_angle_gamma 59.82812742 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Co3Ir5 _chemical_formula_sum 'Sc22 Co3 Ir5' _cell_volume 582.72692316 _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 0.80162678 0.80883716 0.19116284 1.0 Sc Sc1 1 0.19837322 0.80883716 0.19116284 1.0 Sc Sc2 1 0.80636552 0.19363448 0.19363448 1.0 Sc Sc3 1 0.19837322 0.19116284 0.80883716 1.0 Sc Sc4 1 0.80162678 0.19116284 0.80883716 1.0 Sc Sc5 1 0.19363448 0.80636552 0.80636552 1.0 Sc Sc6 1 0.61734100 0.61303660 0.15228041 1.0 Sc Sc7 1 0.61734100 0.15228041 0.61303660 1.0 Sc Sc8 1 0.15353021 0.61466271 0.61466271 1.0 Sc Sc9 1 0.61714437 0.61466271 0.61466271 1.0 Sc Sc10 1 0.38265900 0.38696340 0.84771959 1.0 Sc Sc11 1 0.38265900 0.84771959 0.38696340 1.0 Sc Sc12 1 0.84646979 0.38533729 0.38533729 1.0 Sc Sc13 1 0.38285563 0.38533729 0.38533729 1.0 Sc Sc14 1 0.84832109 0.83501098 0.46834583 1.0 Sc Sc15 1 0.84832109 0.46834583 0.83501098 1.0 Sc Sc16 1 0.47525506 0.84055209 0.84055209 1.0 Sc Sc17 1 0.84363977 0.84055209 0.84055209 1.0 Sc Sc18 1 0.15167891 0.16498902 0.53165417 1.0 Sc Sc19 1 0.15167891 0.53165417 0.16498902 1.0 Sc Sc20 1 0.52474494 0.15944791 0.15944791 1.0 Sc Sc21 1 0.15636023 0.15944791 0.15944791 1.0 Co Co22 1 0.00000000 0.00000000 0.00000000 1.0 Co Co23 1 0.50000000 0.50000000 0.50000000 1.0 Co Co24 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir25 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir26 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir27 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir29 1 0.50000000 0.00000000 0.00000000 1.0