# generated using pymatgen data_Sc5P12Ru5Rh14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.46140491 _cell_length_b 12.42975073 _cell_length_c 3.85160704 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.04807914 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5P12Ru5Rh14 _chemical_formula_sum 'Sc5 P12 Ru5 Rh14' _cell_volume 516.40616706 _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 0.66642817 0.32933021 0.00000000 1.0 Sc Sc1 1 0.33673323 0.67024580 0.00000000 1.0 Sc Sc2 1 0.81540283 0.00190010 0.50000000 1.0 Sc Sc3 1 0.18214477 0.18422376 0.50000000 1.0 Sc Sc4 1 0.00022193 0.81478104 0.50000000 1.0 P P5 1 0.63790332 0.99941646 0.00000000 1.0 P P6 1 0.36166363 0.36213651 0.00000000 1.0 P P7 1 0.99998922 0.63761500 0.00000000 1.0 P P8 1 0.68779373 0.51743765 0.50000000 1.0 P P9 1 0.82840095 0.30820946 0.50000000 1.0 P P10 1 0.31675618 0.83350252 0.50000000 1.0 P P11 1 0.51850684 0.68949752 0.50000000 1.0 P P12 1 0.17789595 0.00017648 0.00000000 1.0 P P13 1 0.82143452 0.82043760 0.00000000 1.0 P P14 1 0.99664351 0.17913339 0.00000000 1.0 P P15 1 0.47969460 0.16801026 0.50000000 1.0 P P16 1 0.16997735 0.48291878 0.50000000 1.0 Ru Ru17 1 0.51168847 0.87051298 0.50000000 1.0 Ru Ru18 1 0.71879608 0.71784032 0.50000000 1.0 Ru Ru19 1 0.00103983 0.28309098 0.50000000 1.0 Ru Ru20 1 0.81675005 0.19449142 0.00000000 1.0 Ru Ru21 1 0.27895321 0.99975461 0.50000000 1.0 Rh Rh22 1 0.62674126 0.80714616 0.00000000 1.0 Rh Rh23 1 0.18333621 0.37536275 0.00000000 1.0 Rh Rh24 1 0.37387873 0.18256730 0.00000000 1.0 Rh Rh25 1 0.19102276 0.81802772 0.00000000 1.0 Rh Rh26 1 0.80714868 0.62372935 0.00000000 1.0 Rh Rh27 1 0.86695810 0.50533608 0.50000000 1.0 Rh Rh28 1 0.49285164 0.35939706 0.50000000 1.0 Rh Rh29 1 0.63568874 0.12859228 0.50000000 1.0 Rh Rh30 1 0.13495535 0.64260295 0.50000000 1.0 Rh Rh31 1 0.36035293 0.49292233 0.50000000 1.0 Rh Rh32 1 0.99945156 0.00056334 0.00000000 1.0 Rh Rh33 1 0.45225717 0.99871872 0.00000000 1.0 Rh Rh34 1 0.54727919 0.54572088 0.00000000 1.0 Rh Rh35 1 0.00326428 0.45464827 0.00000000 1.0