# generated using pymatgen data_PrY7(P7Ir8)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93738155 _cell_length_b 12.61316598 _cell_length_c 13.10591629 _cell_angle_alpha 80.89957438 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrY7(P7Ir8)2 _chemical_formula_sum 'Pr1 Y7 P14 Ir16' _cell_volume 642.68428666 _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 Pr Pr0 1 0.25000000 0.27912739 0.10140191 1.0 Y Y1 1 0.75000000 0.79073670 0.56226950 1.0 Y Y2 1 0.25000000 0.20961661 0.43819315 1.0 Y Y3 1 0.75000000 0.48017094 0.70705537 1.0 Y Y4 1 0.25000000 0.52057998 0.29353056 1.0 Y Y5 1 0.75000000 0.71932239 0.89881128 1.0 Y Y6 1 0.25000000 0.10410459 0.79083788 1.0 Y Y7 1 0.75000000 0.89629603 0.21002658 1.0 P P8 1 0.25000000 0.90829010 0.41155638 1.0 P P9 1 0.75000000 0.47138764 0.12906638 1.0 P P10 1 0.25000000 0.53062863 0.87053875 1.0 P P11 1 0.75000000 0.09183299 0.58905907 1.0 P P12 1 0.25000000 0.74114266 0.08041655 1.0 P P13 1 0.75000000 0.25554853 0.91601672 1.0 P P14 1 0.75000000 0.15698110 0.28323361 1.0 P P15 1 0.25000000 0.84368170 0.71784306 1.0 P P16 1 0.25000000 0.04823929 0.10051570 1.0 P P17 1 0.75000000 0.94612496 0.89910884 1.0 P P18 1 0.25000000 0.31279819 0.68887889 1.0 P P19 1 0.75000000 0.68786789 0.31127836 1.0 P P20 1 0.25000000 0.60947143 0.56501468 1.0 P P21 1 0.75000000 0.39161576 0.43631087 1.0 Ir Ir22 1 0.25000000 0.98988003 0.57622531 1.0 Ir Ir23 1 0.75000000 0.01014108 0.42420185 1.0 Ir Ir24 1 0.25000000 0.66271586 0.72809145 1.0 Ir Ir25 1 0.75000000 0.33960875 0.27428316 1.0 Ir Ir26 1 0.25000000 0.55249265 0.04878980 1.0 Ir Ir27 1 0.75000000 0.45322266 0.94815173 1.0 Ir Ir28 1 0.25000000 0.05952066 0.27334847 1.0 Ir Ir29 1 0.75000000 0.93922683 0.72686045 1.0 Ir Ir30 1 0.25000000 0.42255946 0.52499036 1.0 Ir Ir31 1 0.75000000 0.57851648 0.47593252 1.0 Ir Ir32 1 0.25000000 0.91336001 0.99692697 1.0 Ir Ir33 1 0.75000000 0.08209057 0.00084153 1.0 Ir Ir34 1 0.25000000 0.72999116 0.39556084 1.0 Ir Ir35 1 0.75000000 0.27021804 0.60500968 1.0 Ir Ir36 1 0.25000000 0.34153814 0.85776806 1.0 Ir Ir37 1 0.75000000 0.65935208 0.14205377 1.0