# generated using pymatgen data_Sc20Zn3Cd3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88473047 _cell_length_b 8.88472972 _cell_length_c 9.00502785 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999906 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc20Zn3Cd3Ru2 _chemical_formula_sum 'Sc20 Zn3 Cd3 Ru2' _cell_volume 615.60788619 _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 0.00000000 0.00000000 0.47821158 1.0 Sc Sc1 1 0.00000000 0.00000000 0.02178842 1.0 Sc Sc2 1 0.20810659 0.79189341 0.43909336 1.0 Sc Sc3 1 0.20810659 0.41621218 0.43909336 1.0 Sc Sc4 1 0.58378782 0.79189341 0.43909336 1.0 Sc Sc5 1 0.79056688 0.20943312 0.55416374 1.0 Sc Sc6 1 0.79056688 0.58113376 0.55416374 1.0 Sc Sc7 1 0.41886624 0.20943312 0.55416374 1.0 Sc Sc8 1 0.79056688 0.20943312 0.94583626 1.0 Sc Sc9 1 0.79056688 0.58113376 0.94583626 1.0 Sc Sc10 1 0.41886624 0.20943312 0.94583626 1.0 Sc Sc11 1 0.20810659 0.79189341 0.06090664 1.0 Sc Sc12 1 0.20810659 0.41621218 0.06090664 1.0 Sc Sc13 1 0.58378782 0.79189341 0.06090664 1.0 Sc Sc14 1 0.54094974 0.45905026 0.25000000 1.0 Sc Sc15 1 0.54094974 0.08189948 0.25000000 1.0 Sc Sc16 1 0.91810052 0.45905026 0.25000000 1.0 Sc Sc17 1 0.45980497 0.54019503 0.75000000 1.0 Sc Sc18 1 0.45980497 0.91961093 0.75000000 1.0 Sc Sc19 1 0.08038907 0.54019503 0.75000000 1.0 Zn Zn20 1 0.88063081 0.11936919 0.25000000 1.0 Zn Zn21 1 0.88063081 0.76126461 0.25000000 1.0 Zn Zn22 1 0.23873539 0.11936919 0.25000000 1.0 Cd Cd23 1 0.11192521 0.88807479 0.75000000 1.0 Cd Cd24 1 0.11192521 0.22384942 0.75000000 1.0 Cd Cd25 1 0.77615058 0.88807479 0.75000000 1.0 Ru Ru26 1 0.33333300 0.66666700 0.25000000 1.0 Ru Ru27 1 0.66666700 0.33333300 0.75000000 1.0