# generated using pymatgen data_Sc22PdRu7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.47921949 _cell_length_b 9.43227018 _cell_length_c 9.47921868 _cell_angle_alpha 60.16369912 _cell_angle_beta 59.88631140 _cell_angle_gamma 60.16369716 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22PdRu7 _chemical_formula_sum 'Sc22 Pd1 Ru7' _cell_volume 600.26102196 _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 0.80604656 0.80077722 0.19395344 1.0 Sc Sc1 1 0.19655034 0.80344966 0.19655034 1.0 Sc Sc2 1 0.80604656 0.19922278 0.19395344 1.0 Sc Sc3 1 0.19395344 0.19922278 0.80604656 1.0 Sc Sc4 1 0.80344966 0.19655034 0.80344966 1.0 Sc Sc5 1 0.19395344 0.80077722 0.80604656 1.0 Sc Sc6 1 0.60804363 0.61991599 0.15212539 1.0 Sc Sc7 1 0.61407098 0.15154834 0.61407098 1.0 Sc Sc8 1 0.15212539 0.61991599 0.60804363 1.0 Sc Sc9 1 0.61407098 0.62031069 0.61407098 1.0 Sc Sc10 1 0.39195637 0.38008401 0.84787461 1.0 Sc Sc11 1 0.38592902 0.84845166 0.38592902 1.0 Sc Sc12 1 0.84787461 0.38008401 0.39195637 1.0 Sc Sc13 1 0.38592902 0.37968931 0.38592902 1.0 Sc Sc14 1 0.84282632 0.84598132 0.46520904 1.0 Sc Sc15 1 0.83726041 0.47424499 0.83726041 1.0 Sc Sc16 1 0.46520904 0.84598132 0.84282632 1.0 Sc Sc17 1 0.83726041 0.85123420 0.83726041 1.0 Sc Sc18 1 0.15717368 0.15401868 0.53479096 1.0 Sc Sc19 1 0.16273959 0.52575501 0.16273959 1.0 Sc Sc20 1 0.53479096 0.15401868 0.15717368 1.0 Sc Sc21 1 0.16273959 0.14876580 0.16273959 1.0 Pd Pd22 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru23 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru24 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru25 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru26 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru27 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru28 1 0.50000000 0.50000000 0.00000000 1.0 Ru Ru29 1 0.50000000 0.00000000 0.00000000 1.0