# generated using pymatgen data_Zr8P12Ir13Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.79296059 _cell_length_b 12.62383575 _cell_length_c 3.89545467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.97810030 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8P12Ir13Ru3 _chemical_formula_sum 'Zr8 P12 Ir13 Ru3' _cell_volume 544.93785729 _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 Zr Zr0 1 0.44477529 0.44939276 0.00000000 1.0 Zr Zr1 1 0.55527427 0.00388614 0.00000000 1.0 Zr Zr2 1 0.99605424 0.55039549 0.00000000 1.0 Zr Zr3 1 0.66930362 0.33911453 0.00000000 1.0 Zr Zr4 1 0.32742240 0.66348548 0.00000000 1.0 Zr Zr5 1 0.81967317 0.81795982 0.50000000 1.0 Zr Zr6 1 0.18185413 0.99805221 0.50000000 1.0 Zr Zr7 1 0.00250961 0.18080219 0.50000000 1.0 P P8 1 0.65749528 0.65182297 0.00000000 1.0 P P9 1 0.34273230 0.99237789 0.00000000 1.0 P P10 1 0.00706522 0.34822663 0.00000000 1.0 P P11 1 0.48405380 0.31519833 0.50000000 1.0 P P12 1 0.69092646 0.17175150 0.50000000 1.0 P P13 1 0.82768120 0.52227103 0.50000000 1.0 P P14 1 0.51601080 0.83095277 0.50000000 1.0 P P15 1 0.16981540 0.68838066 0.50000000 1.0 P P16 1 0.82771410 0.99883706 0.00000000 1.0 P P17 1 0.00141685 0.82392797 0.00000000 1.0 P P18 1 0.30542148 0.47781121 0.50000000 1.0 P P19 1 0.17408748 0.17436890 0.00000000 1.0 Ir Ir20 1 0.81559926 0.18036084 0.00000000 1.0 Ir Ir21 1 0.36905031 0.18608987 0.00000000 1.0 Ir Ir22 1 0.12912096 0.48756480 0.50000000 1.0 Ir Ir23 1 0.35884959 0.86962721 0.50000000 1.0 Ir Ir24 1 0.49517238 0.64109783 0.50000000 1.0 Ir Ir25 1 0.64075805 0.51425651 0.50000000 1.0 Ir Ir26 1 0.85775542 0.35977313 0.50000000 1.0 Ir Ir27 1 0.50316347 0.14422816 0.50000000 1.0 Ir Ir28 1 0.00079601 0.99912303 0.00000000 1.0 Ir Ir29 1 0.72320708 0.99961670 0.50000000 1.0 Ir Ir30 1 0.00036285 0.72441599 0.50000000 1.0 Ir Ir31 1 0.63271874 0.81983720 0.00000000 1.0 Ir Ir32 1 0.27862625 0.27401310 0.50000000 1.0 Ru Ru33 1 0.19378382 0.36946728 0.00000000 1.0 Ru Ru34 1 0.17793205 0.80309351 0.00000000 1.0 Ru Ru35 1 0.82181361 0.62842127 0.00000000 1.0