# generated using pymatgen data_Pr3Fe2P6Rh7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93996749 _cell_length_b 11.21141462 _cell_length_c 12.80239908 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Fe2P6Rh7 _chemical_formula_sum 'Pr6 Fe4 P12 Rh14' _cell_volume 565.51537050 _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 0.51599725 1.0 Pr Pr1 1 0.50000000 0.00000000 0.48400275 1.0 Pr Pr2 1 0.50000000 0.82111740 0.20144594 1.0 Pr Pr3 1 0.50000000 0.17888260 0.20144594 1.0 Pr Pr4 1 0.00000000 0.67888260 0.79855406 1.0 Pr Pr5 1 0.00000000 0.32111740 0.79855406 1.0 Fe Fe6 1 0.50000000 0.50000000 0.15978416 1.0 Fe Fe7 1 0.00000000 0.00000000 0.84021584 1.0 Fe Fe8 1 0.00000000 0.50000000 0.99251450 1.0 Fe Fe9 1 0.50000000 0.00000000 0.00748550 1.0 P P10 1 0.50000000 0.50000000 0.88730664 1.0 P P11 1 0.00000000 0.00000000 0.11269336 1.0 P P12 1 0.50000000 0.50000000 0.33705470 1.0 P P13 1 0.00000000 0.00000000 0.66294530 1.0 P P14 1 0.50000000 0.30919258 0.61720935 1.0 P P15 1 0.50000000 0.69080742 0.61720935 1.0 P P16 1 0.00000000 0.19080742 0.38279065 1.0 P P17 1 0.00000000 0.80919258 0.38279065 1.0 P P18 1 0.50000000 0.84950405 0.89634561 1.0 P P19 1 0.50000000 0.15049595 0.89634561 1.0 P P20 1 0.00000000 0.65049595 0.10365439 1.0 P P21 1 0.00000000 0.34950405 0.10365439 1.0 Rh Rh22 1 0.50000000 0.50000000 0.70122401 1.0 Rh Rh23 1 0.00000000 0.00000000 0.29877599 1.0 Rh Rh24 1 0.50000000 0.33616685 0.99777020 1.0 Rh Rh25 1 0.50000000 0.66383315 0.99777020 1.0 Rh Rh26 1 0.00000000 0.16383315 0.00222980 1.0 Rh Rh27 1 0.00000000 0.83616685 0.00222980 1.0 Rh Rh28 1 0.50000000 0.29052045 0.42946108 1.0 Rh Rh29 1 0.50000000 0.70947955 0.42946108 1.0 Rh Rh30 1 0.00000000 0.20947955 0.57053892 1.0 Rh Rh31 1 0.00000000 0.79052045 0.57053892 1.0 Rh Rh32 1 0.50000000 0.87626187 0.71359914 1.0 Rh Rh33 1 0.50000000 0.12373813 0.71359914 1.0 Rh Rh34 1 0.00000000 0.62373813 0.28640086 1.0 Rh Rh35 1 0.00000000 0.37626187 0.28640086 1.0