# generated using pymatgen data_Pr4P7Ir5Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98315872 _cell_length_b 12.80001310 _cell_length_c 13.21323739 _cell_angle_alpha 80.92378127 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4P7Ir5Rh3 _chemical_formula_sum 'Pr8 P14 Ir10 Rh6' _cell_volume 665.23531055 _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 0.75000000 0.79093482 0.56078709 1.0 Pr Pr1 1 0.25000000 0.20906518 0.43921291 1.0 Pr Pr2 1 0.75000000 0.48427673 0.70772444 1.0 Pr Pr3 1 0.25000000 0.51572327 0.29227556 1.0 Pr Pr4 1 0.75000000 0.72044863 0.89779033 1.0 Pr Pr5 1 0.25000000 0.10559141 0.79160134 1.0 Pr Pr6 1 0.75000000 0.89440859 0.20839866 1.0 Pr Pr7 1 0.25000000 0.27955137 0.10220967 1.0 P P8 1 0.25000000 0.91053388 0.40753154 1.0 P P9 1 0.75000000 0.47123428 0.12638759 1.0 P P10 1 0.25000000 0.52876572 0.87361241 1.0 P P11 1 0.75000000 0.08946612 0.59246846 1.0 P P12 1 0.25000000 0.74180640 0.08158235 1.0 P P13 1 0.75000000 0.25819360 0.91841765 1.0 P P14 1 0.75000000 0.15443574 0.28000169 1.0 P P15 1 0.25000000 0.84556426 0.71999831 1.0 P P16 1 0.25000000 0.05300220 0.09810198 1.0 P P17 1 0.75000000 0.94699780 0.90189802 1.0 P P18 1 0.25000000 0.31489435 0.68968697 1.0 P P19 1 0.75000000 0.68510565 0.31031303 1.0 P P20 1 0.25000000 0.60904870 0.55971916 1.0 P P21 1 0.75000000 0.39095130 0.44028084 1.0 Ir Ir22 1 0.25000000 0.06044779 0.27303098 1.0 Ir Ir23 1 0.75000000 0.93955221 0.72696902 1.0 Ir Ir24 1 0.25000000 0.42371099 0.52853917 1.0 Ir Ir25 1 0.75000000 0.57628901 0.47146083 1.0 Ir Ir26 1 0.25000000 0.91597467 0.99876380 1.0 Ir Ir27 1 0.75000000 0.08402533 0.00123620 1.0 Ir Ir28 1 0.25000000 0.72934066 0.39260719 1.0 Ir Ir29 1 0.75000000 0.27065934 0.60739281 1.0 Ir Ir30 1 0.25000000 0.34345207 0.86054509 1.0 Ir Ir31 1 0.75000000 0.65654793 0.13945491 1.0 Rh Rh32 1 0.25000000 0.98788589 0.57587842 1.0 Rh Rh33 1 0.75000000 0.01211411 0.42412158 1.0 Rh Rh34 1 0.25000000 0.66444732 0.72718867 1.0 Rh Rh35 1 0.75000000 0.33555268 0.27281133 1.0 Rh Rh36 1 0.25000000 0.54961021 0.04805113 1.0 Rh Rh37 1 0.75000000 0.45038979 0.95194887 1.0