# generated using pymatgen data_Sc12Si12Ru3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00883057 _cell_length_b 10.24068960 _cell_length_c 11.70181588 _cell_angle_alpha 90.05013244 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc12Si12Ru3Rh _chemical_formula_sum 'Sc12 Si12 Ru3 Rh1' _cell_volume 480.39668132 _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 0.25000000 0.87784247 0.02095778 1.0 Sc Sc1 1 0.25000000 0.62293650 0.51991826 1.0 Sc Sc2 1 0.75000000 0.12336599 0.98115431 1.0 Sc Sc3 1 0.75000000 0.37836469 0.47978491 1.0 Sc Sc4 1 0.25000000 0.92102357 0.60381509 1.0 Sc Sc5 1 0.25000000 0.57947425 0.10416048 1.0 Sc Sc6 1 0.75000000 0.07903098 0.39578265 1.0 Sc Sc7 1 0.75000000 0.42068144 0.89518220 1.0 Sc Sc8 1 0.25000000 0.66008907 0.79857314 1.0 Sc Sc9 1 0.25000000 0.83841214 0.29802031 1.0 Sc Sc10 1 0.75000000 0.33931473 0.20171426 1.0 Sc Sc11 1 0.75000000 0.15923280 0.70064901 1.0 Si Si12 1 0.25000000 0.01506538 0.82368798 1.0 Si Si13 1 0.25000000 0.48702207 0.32202217 1.0 Si Si14 1 0.75000000 0.98660738 0.17823418 1.0 Si Si15 1 0.75000000 0.51338849 0.67801197 1.0 Si Si16 1 0.25000000 0.25055556 0.84148546 1.0 Si Si17 1 0.25000000 0.24857412 0.34233341 1.0 Si Si18 1 0.75000000 0.74860946 0.15767061 1.0 Si Si19 1 0.75000000 0.75086143 0.65727793 1.0 Si Si20 1 0.25000000 0.19625284 0.54492788 1.0 Si Si21 1 0.25000000 0.30512584 0.04485308 1.0 Si Si22 1 0.75000000 0.80556180 0.45483144 1.0 Si Si23 1 0.75000000 0.69399775 0.95522446 1.0 Ru Ru24 1 0.25000000 0.39080714 0.67771038 1.0 Ru Ru25 1 0.25000000 0.10937355 0.17762997 1.0 Ru Ru26 1 0.75000000 0.60947164 0.32230641 1.0 Rh Rh27 1 0.75000000 0.88895693 0.82207829 1.0