# generated using pymatgen data_Pr4P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98564561 _cell_length_b 12.82091817 _cell_length_c 13.23627094 _cell_angle_alpha 80.84751932 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4P7Ir8 _chemical_formula_sum 'Pr8 P14 Ir16' _cell_volume 667.75746123 _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 0.78967377 0.56181247 1.0 Pr Pr1 1 0.25000000 0.21032623 0.43818753 1.0 Pr Pr2 1 0.75000000 0.48212647 0.70727768 1.0 Pr Pr3 1 0.25000000 0.51787353 0.29272232 1.0 Pr Pr4 1 0.75000000 0.71979915 0.89824241 1.0 Pr Pr5 1 0.25000000 0.10503368 0.79113629 1.0 Pr Pr6 1 0.75000000 0.89496632 0.20886371 1.0 Pr Pr7 1 0.25000000 0.28020085 0.10175759 1.0 P P8 1 0.25000000 0.91048803 0.40789389 1.0 P P9 1 0.75000000 0.47172943 0.12698610 1.0 P P10 1 0.25000000 0.52827057 0.87301390 1.0 P P11 1 0.75000000 0.08951197 0.59210611 1.0 P P12 1 0.25000000 0.74224704 0.08286588 1.0 P P13 1 0.75000000 0.25775296 0.91713412 1.0 P P14 1 0.75000000 0.15513781 0.28065561 1.0 P P15 1 0.25000000 0.84486219 0.71934439 1.0 P P16 1 0.25000000 0.05296584 0.09794541 1.0 P P17 1 0.75000000 0.94703416 0.90205459 1.0 P P18 1 0.25000000 0.31390754 0.68837641 1.0 P P19 1 0.75000000 0.68609246 0.31162359 1.0 P P20 1 0.25000000 0.60801511 0.56092291 1.0 P P21 1 0.75000000 0.39198489 0.43907709 1.0 Ir Ir22 1 0.25000000 0.98972876 0.57700545 1.0 Ir Ir23 1 0.75000000 0.01027124 0.42299455 1.0 Ir Ir24 1 0.25000000 0.66354407 0.72918140 1.0 Ir Ir25 1 0.75000000 0.33645593 0.27081860 1.0 Ir Ir26 1 0.25000000 0.54936515 0.04948155 1.0 Ir Ir27 1 0.75000000 0.45063485 0.95051845 1.0 Ir Ir28 1 0.25000000 0.06199255 0.27183718 1.0 Ir Ir29 1 0.75000000 0.93800745 0.72816282 1.0 Ir Ir30 1 0.25000000 0.42343339 0.52781160 1.0 Ir Ir31 1 0.75000000 0.57656661 0.47218840 1.0 Ir Ir32 1 0.25000000 0.91567481 0.99887693 1.0 Ir Ir33 1 0.75000000 0.08432519 0.00112307 1.0 Ir Ir34 1 0.25000000 0.73014556 0.39379089 1.0 Ir Ir35 1 0.75000000 0.26985444 0.60620911 1.0 Ir Ir36 1 0.25000000 0.34179152 0.85975719 1.0 Ir Ir37 1 0.75000000 0.65820848 0.14024281 1.0