# generated using pymatgen data_Pr5P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.57812755 _cell_length_b 12.57802406 _cell_length_c 4.01650881 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00027213 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr5P12Ru19 _chemical_formula_sum 'Pr5 P12 Ru19' _cell_volume 550.30895550 _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 0.81586727 0.00000000 0.50000000 1.0 Pr Pr1 1 0.00002133 0.81588793 0.50000000 1.0 Pr Pr2 1 0.18413340 0.18411207 0.50000000 1.0 Pr Pr3 1 0.33332883 0.66667655 0.00000000 1.0 Pr Pr4 1 0.66665328 0.33332345 0.00000000 1.0 P P5 1 0.18869832 1.00000000 0.00000000 1.0 P P6 1 0.00000102 0.18868678 0.00000000 1.0 P P7 1 0.81131424 0.81131322 0.00000000 1.0 P P8 1 0.52485596 0.69626878 0.50000000 1.0 P P9 1 0.30374340 0.82860868 0.50000000 1.0 P P10 1 0.17139186 0.47513578 0.50000000 1.0 P P11 1 0.47513473 0.17139132 0.50000000 1.0 P P12 1 0.69625609 0.52486422 0.50000000 1.0 P P13 1 0.82858718 0.30373122 0.50000000 1.0 P P14 1 0.62428973 0.00000000 0.00000000 1.0 P P15 1 0.00002365 0.62432242 0.00000000 1.0 P P16 1 0.37570123 0.37567758 0.00000000 1.0 Ru Ru17 1 0.44524316 0.00000000 0.00000000 1.0 Ru Ru18 1 0.00001217 0.44527570 0.00000000 1.0 Ru Ru19 1 0.55473647 0.55472430 0.00000000 1.0 Ru Ru20 1 0.28561322 1.00000000 0.50000000 1.0 Ru Ru21 1 0.00000289 0.28561590 0.50000000 1.0 Ru Ru22 1 0.71438699 0.71438410 0.50000000 1.0 Ru Ru23 1 0.62108639 0.80577485 0.00000000 1.0 Ru Ru24 1 0.19423027 0.81532156 0.00000000 1.0 Ru Ru25 1 0.18468942 0.37890262 0.00000000 1.0 Ru Ru26 1 0.37890871 0.18467844 0.00000000 1.0 Ru Ru27 1 0.80578680 0.62109738 0.00000000 1.0 Ru Ru28 1 0.81531154 0.19422515 0.00000000 1.0 Ru Ru29 1 0.50798434 0.87606390 0.50000000 1.0 Ru Ru30 1 0.12392988 0.63194151 0.50000000 1.0 Ru Ru31 1 0.36807421 0.49200711 0.50000000 1.0 Ru Ru32 1 0.49198837 0.36805849 0.50000000 1.0 Ru Ru33 1 0.87606710 0.50799289 0.50000000 1.0 Ru Ru34 1 0.63192044 0.12393610 0.50000000 1.0 Ru Ru35 1 0.00002610 -0.00000000 0.00000000 1.0