# generated using pymatgen data_Sc11PdRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46103032 _cell_length_b 9.51286552 _cell_length_c 9.51286526 _cell_angle_alpha 59.63981930 _cell_angle_beta 60.18008643 _cell_angle_gamma 60.18008056 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc11PdRu3 _chemical_formula_sum 'Sc22 Pd2 Ru6' _cell_volume 605.36936989 _cell_formula_units_Z 2 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 0.80464303 0.80464303 0.19535697 1.0 Sc Sc1 1 0.19535697 0.80464303 0.19535697 1.0 Sc Sc2 1 0.80428422 0.19571578 0.19571578 1.0 Sc Sc3 1 0.19535697 0.19535697 0.80464303 1.0 Sc Sc4 1 0.80464303 0.19535697 0.80464303 1.0 Sc Sc5 1 0.19571578 0.80428422 0.80428422 1.0 Sc Sc6 1 0.61736371 0.61189282 0.15337977 1.0 Sc Sc7 1 0.61736371 0.15337977 0.61189282 1.0 Sc Sc8 1 0.15337977 0.61736371 0.61736371 1.0 Sc Sc9 1 0.61189282 0.61736371 0.61736371 1.0 Sc Sc10 1 0.38263629 0.38810718 0.84662023 1.0 Sc Sc11 1 0.38263629 0.84662023 0.38810718 1.0 Sc Sc12 1 0.84662023 0.38263629 0.38263629 1.0 Sc Sc13 1 0.38810718 0.38263629 0.38263629 1.0 Sc Sc14 1 0.83924943 0.85010698 0.47139416 1.0 Sc Sc15 1 0.83924943 0.47139416 0.85010698 1.0 Sc Sc16 1 0.47139416 0.83924943 0.83924943 1.0 Sc Sc17 1 0.85010698 0.83924943 0.83924943 1.0 Sc Sc18 1 0.16075057 0.14989302 0.52860584 1.0 Sc Sc19 1 0.16075057 0.52860584 0.14989302 1.0 Sc Sc20 1 0.52860584 0.16075057 0.16075057 1.0 Sc Sc21 1 0.14989302 0.16075057 0.16075057 1.0 Pd Pd22 1 0.00000000 0.50000000 0.50000000 1.0 Pd Pd23 1 0.50000000 0.00000000 0.00000000 1.0 Ru Ru24 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru25 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru26 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru27 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru28 1 0.50000000 0.50000000 0.00000000 1.0 Ru Ru29 1 0.00000000 0.50000000 0.00000000 1.0