# generated using pymatgen data_Pr8P14Ir15Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00105097 _cell_length_b 12.75668013 _cell_length_c 13.24710254 _cell_angle_alpha 81.04254017 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr8P14Ir15Ru _chemical_formula_sum 'Pr8 P14 Ir15 Ru1' _cell_volume 667.88781917 _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 0.75000000 0.78923802 0.56260947 1.0 Pr Pr1 1 0.25000000 0.21014656 0.43810746 1.0 Pr Pr2 1 0.75000000 0.48239611 0.70736314 1.0 Pr Pr3 1 0.25000000 0.51806001 0.29269188 1.0 Pr Pr4 1 0.75000000 0.71909626 0.89803416 1.0 Pr Pr5 1 0.25000000 0.10363574 0.79101476 1.0 Pr Pr6 1 0.75000000 0.89615505 0.20933326 1.0 Pr Pr7 1 0.25000000 0.28080050 0.10172000 1.0 P P8 1 0.25000000 0.91230628 0.41349197 1.0 P P9 1 0.75000000 0.47160598 0.12708143 1.0 P P10 1 0.25000000 0.52868493 0.87309949 1.0 P P11 1 0.75000000 0.08535877 0.58888602 1.0 P P12 1 0.25000000 0.74154106 0.08189156 1.0 P P13 1 0.75000000 0.25859994 0.91800405 1.0 P P14 1 0.75000000 0.15447449 0.27984887 1.0 P P15 1 0.25000000 0.84808022 0.71722189 1.0 P P16 1 0.25000000 0.05344484 0.09784335 1.0 P P17 1 0.75000000 0.94635398 0.90231599 1.0 P P18 1 0.25000000 0.31265992 0.68744415 1.0 P P19 1 0.75000000 0.68692187 0.31256855 1.0 P P20 1 0.25000000 0.60888823 0.56070517 1.0 P P21 1 0.75000000 0.39151500 0.43921991 1.0 Ir Ir22 1 0.75000000 0.01283496 0.42187609 1.0 Ir Ir23 1 0.25000000 0.66435213 0.72945915 1.0 Ir Ir24 1 0.75000000 0.33617023 0.27107510 1.0 Ir Ir25 1 0.25000000 0.55009830 0.04934348 1.0 Ir Ir26 1 0.75000000 0.44955944 0.95090795 1.0 Ir Ir27 1 0.25000000 0.06161217 0.27150449 1.0 Ir Ir28 1 0.75000000 0.93901278 0.72871270 1.0 Ir Ir29 1 0.25000000 0.42322667 0.52782034 1.0 Ir Ir30 1 0.75000000 0.57620898 0.47217675 1.0 Ir Ir31 1 0.25000000 0.91607973 0.99880720 1.0 Ir Ir32 1 0.75000000 0.08420151 0.00159240 1.0 Ir Ir33 1 0.25000000 0.73000187 0.39461155 1.0 Ir Ir34 1 0.75000000 0.26979662 0.60580486 1.0 Ir Ir35 1 0.25000000 0.34125995 0.85929573 1.0 Ir Ir36 1 0.75000000 0.65880556 0.14054420 1.0 Ru Ru37 1 0.25000000 0.98681339 0.57597251 1.0