# generated using pymatgen data_Sc11Ru4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44578638 _cell_length_b 9.44578638 _cell_length_c 9.44578638 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc11Ru4 _chemical_formula_sum 'Sc22 Ru8' _cell_volume 595.93564167 _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 0.80235296 0.19764704 0.19764704 1.0 Sc Sc1 1 0.80235296 0.19764704 0.80235296 1.0 Sc Sc2 1 0.80235296 0.80235296 0.19764704 1.0 Sc Sc3 1 0.19764704 0.80235296 0.80235296 1.0 Sc Sc4 1 0.19764704 0.80235296 0.19764704 1.0 Sc Sc5 1 0.19764704 0.19764704 0.80235296 1.0 Sc Sc6 1 0.84934370 0.38355077 0.38355077 1.0 Sc Sc7 1 0.38355077 0.84934370 0.38355077 1.0 Sc Sc8 1 0.38355077 0.38355077 0.84934370 1.0 Sc Sc9 1 0.38355077 0.38355077 0.38355077 1.0 Sc Sc10 1 0.15065630 0.61644923 0.61644923 1.0 Sc Sc11 1 0.61644923 0.15065630 0.61644923 1.0 Sc Sc12 1 0.61644923 0.61644923 0.15065630 1.0 Sc Sc13 1 0.61644923 0.61644923 0.61644923 1.0 Sc Sc14 1 0.53193516 0.15602228 0.15602228 1.0 Sc Sc15 1 0.15602228 0.53193516 0.15602228 1.0 Sc Sc16 1 0.15602228 0.15602228 0.53193516 1.0 Sc Sc17 1 0.15602228 0.15602228 0.15602228 1.0 Sc Sc18 1 0.46806484 0.84397772 0.84397772 1.0 Sc Sc19 1 0.84397772 0.46806484 0.84397772 1.0 Sc Sc20 1 0.84397772 0.84397772 0.46806484 1.0 Sc Sc21 1 0.84397772 0.84397772 0.84397772 1.0 Ru Ru22 1 0.00000000 -0.00000000 -0.00000000 1.0 Ru Ru23 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru24 1 0.50000000 -0.00000000 -0.00000000 1.0 Ru Ru25 1 0.50000000 -0.00000000 0.50000000 1.0 Ru Ru26 1 0.50000000 0.50000000 -0.00000000 1.0 Ru Ru27 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru28 1 0.00000000 0.50000000 -0.00000000 1.0 Ru Ru29 1 0.00000000 -0.00000000 0.50000000 1.0