# generated using pymatgen data_Pr3Re(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00323286 _cell_length_b 11.40021543 _cell_length_c 12.69044699 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Re(P3Rh4)2 _chemical_formula_sum 'Pr6 Re2 P12 Rh16' _cell_volume 579.16302823 _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 Pr Pr0 1 0.00000000 0.50000000 0.52020109 1.0 Pr Pr1 1 0.50000000 0.00000000 0.47979891 1.0 Pr Pr2 1 0.50000000 0.82255446 0.20338453 1.0 Pr Pr3 1 0.50000000 0.17744554 0.20338453 1.0 Pr Pr4 1 0.00000000 0.67744554 0.79661547 1.0 Pr Pr5 1 0.00000000 0.32255446 0.79661547 1.0 Re Re6 1 0.00000000 0.50000000 0.99557117 1.0 Re Re7 1 0.50000000 0.00000000 0.00442883 1.0 P P8 1 0.50000000 0.50000000 0.88699476 1.0 P P9 1 0.00000000 0.00000000 0.11300524 1.0 P P10 1 0.50000000 0.50000000 0.34418176 1.0 P P11 1 0.00000000 0.00000000 0.65581824 1.0 P P12 1 0.50000000 0.30994166 0.61642068 1.0 P P13 1 0.50000000 0.69005834 0.61642068 1.0 P P14 1 0.00000000 0.19005834 0.38357932 1.0 P P15 1 0.00000000 0.80994166 0.38357932 1.0 P P16 1 0.50000000 0.84190628 0.89512706 1.0 P P17 1 0.50000000 0.15809372 0.89512706 1.0 P P18 1 0.00000000 0.65809372 0.10487294 1.0 P P19 1 0.00000000 0.34190628 0.10487294 1.0 Rh Rh20 1 0.50000000 0.50000000 0.16352154 1.0 Rh Rh21 1 0.00000000 0.00000000 0.83647846 1.0 Rh Rh22 1 0.50000000 0.50000000 0.69909134 1.0 Rh Rh23 1 0.00000000 0.00000000 0.30090866 1.0 Rh Rh24 1 0.50000000 0.33257082 0.99613898 1.0 Rh Rh25 1 0.50000000 0.66742918 0.99613898 1.0 Rh Rh26 1 0.00000000 0.16742918 0.00386102 1.0 Rh Rh27 1 0.00000000 0.83257082 0.00386102 1.0 Rh Rh28 1 0.50000000 0.29340256 0.42897678 1.0 Rh Rh29 1 0.50000000 0.70659744 0.42897678 1.0 Rh Rh30 1 0.00000000 0.20659744 0.57102322 1.0 Rh Rh31 1 0.00000000 0.79340256 0.57102322 1.0 Rh Rh32 1 0.50000000 0.87298521 0.71242772 1.0 Rh Rh33 1 0.50000000 0.12701479 0.71242772 1.0 Rh Rh34 1 0.00000000 0.62701479 0.28757228 1.0 Rh Rh35 1 0.00000000 0.37298521 0.28757228 1.0