# generated using pymatgen data_Zr3Sc5(P3Rh4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.71661065 _cell_length_b 12.71661011 _cell_length_c 3.83279802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999886 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Sc5(P3Rh4)4 _chemical_formula_sum 'Zr3 Sc5 P12 Rh16' _cell_volume 536.77131732 _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 Zr Zr0 1 0.55306713 0.55306713 0.00000000 1.0 Zr Zr1 1 0.44693287 0.00000000 0.00000000 1.0 Zr Zr2 1 1.00000000 0.44693287 0.00000000 1.0 Sc Sc3 1 0.18325248 0.18325248 0.50000000 1.0 Sc Sc4 1 0.81674752 1.00000000 0.50000000 1.0 Sc Sc5 1 0.00000000 0.81674752 0.50000000 1.0 Sc Sc6 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc7 1 0.66666700 0.33333300 0.00000000 1.0 P P8 1 0.82710395 0.82710395 0.00000000 1.0 P P9 1 0.17289605 0.00000000 0.00000000 1.0 P P10 1 1.00000000 0.17289605 0.00000000 1.0 P P11 1 0.17236351 0.48424049 0.50000000 1.0 P P12 1 0.51575951 0.68812301 0.50000000 1.0 P P13 1 0.31187699 0.82763649 0.50000000 1.0 P P14 1 0.68812301 0.51575951 0.50000000 1.0 P P15 1 0.82763649 0.31187699 0.50000000 1.0 P P16 1 0.48424049 0.17236351 0.50000000 1.0 P P17 1 0.34597875 0.34597875 0.00000000 1.0 P P18 1 0.65402125 1.00000000 0.00000000 1.0 P P19 1 0.00000000 0.65402125 0.00000000 1.0 Rh Rh20 1 0.72426670 0.72426670 0.50000000 1.0 Rh Rh21 1 0.27573330 0.00000000 0.50000000 1.0 Rh Rh22 1 1.00000000 0.27573330 0.50000000 1.0 Rh Rh23 1 0.17753833 0.37019094 0.00000000 1.0 Rh Rh24 1 0.62980906 0.80734738 0.00000000 1.0 Rh Rh25 1 0.19265262 0.82246167 0.00000000 1.0 Rh Rh26 1 0.80734738 0.62980906 0.00000000 1.0 Rh Rh27 1 0.82246167 0.19265262 0.00000000 1.0 Rh Rh28 1 0.37019094 0.17753833 0.00000000 1.0 Rh Rh29 1 0.35743364 0.49096570 0.50000000 1.0 Rh Rh30 1 0.50903430 0.86646894 0.50000000 1.0 Rh Rh31 1 0.13353106 0.64256636 0.50000000 1.0 Rh Rh32 1 0.86646894 0.50903430 0.50000000 1.0 Rh Rh33 1 0.64256636 0.13353106 0.50000000 1.0 Rh Rh34 1 0.49096570 0.35743364 0.50000000 1.0 Rh Rh35 1 0.00000000 0.00000000 0.00000000 1.0