# generated using pymatgen data_Pr5P12Ir13Ru6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.66675036 _cell_length_b 12.65138360 _cell_length_c 4.01634729 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.78206788 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr5P12Ir13Ru6 _chemical_formula_sum 'Pr5 P12 Ir13 Ru6' _cell_volume 558.61766634 _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 0.66767567 0.33315206 0.00000000 1.0 Pr Pr1 1 0.33311296 0.66578462 0.00000000 1.0 Pr Pr2 1 0.81511131 0.00156070 0.50000000 1.0 Pr Pr3 1 0.18531027 0.18599265 0.50000000 1.0 Pr Pr4 1 0.99974835 0.81407191 0.50000000 1.0 P P5 1 0.64088948 0.00481084 0.00000000 1.0 P P6 1 0.36675150 0.36669134 0.00000000 1.0 P P7 1 0.99919005 0.63268413 0.00000000 1.0 P P8 1 0.68998965 0.52149622 0.50000000 1.0 P P9 1 0.83046472 0.30681835 0.50000000 1.0 P P10 1 0.30766032 0.82949804 0.50000000 1.0 P P11 1 0.52115311 0.68848556 0.50000000 1.0 P P12 1 0.18420709 0.00066015 0.00000000 1.0 P P13 1 0.81671477 0.81750140 0.00000000 1.0 P P14 1 0.99778895 0.18392558 0.00000000 1.0 P P15 1 0.47843794 0.17020040 0.50000000 1.0 P P16 1 0.16768735 0.47851496 0.50000000 1.0 Ir Ir17 1 0.62225709 0.80475987 0.00000000 1.0 Ir Ir18 1 0.18165520 0.37848567 0.00000000 1.0 Ir Ir19 1 0.37984475 0.18176809 0.00000000 1.0 Ir Ir20 1 0.19731560 0.81836771 0.00000000 1.0 Ir Ir21 1 0.80150985 0.62120903 0.00000000 1.0 Ir Ir22 1 0.87101499 0.50753789 0.50000000 1.0 Ir Ir23 1 0.49207656 0.36519031 0.50000000 1.0 Ir Ir24 1 0.63484419 0.12622142 0.50000000 1.0 Ir Ir25 1 0.12682539 0.63591020 0.50000000 1.0 Ir Ir26 1 0.36207104 0.49110752 0.50000000 1.0 Ir Ir27 1 0.50541655 0.86790769 0.50000000 1.0 Ir Ir28 1 0.00059680 0.00010634 0.00000000 1.0 Ir Ir29 1 0.45741348 0.99664052 0.00000000 1.0 Ru Ru30 1 0.71127452 0.71182490 0.50000000 1.0 Ru Ru31 1 0.00124474 0.29010123 0.50000000 1.0 Ru Ru32 1 0.54464850 0.54746865 0.00000000 1.0 Ru Ru33 1 0.00084056 0.45385808 0.00000000 1.0 Ru Ru34 1 0.81965168 0.19965054 0.00000000 1.0 Ru Ru35 1 0.28760603 0.00003644 0.50000000 1.0