# generated using pymatgen data_Pr5P12Pd2Ru17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.59828771 _cell_length_b 12.68267305 _cell_length_c 4.01527206 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.22182078 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr5P12Pd2Ru17 _chemical_formula_sum 'Pr5 P12 Pd2 Ru17' _cell_volume 554.36121895 _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 0.18261714 0.18113890 0.50000000 1.0 Pr Pr1 1 0.81738286 0.99852276 0.50000000 1.0 Pr Pr2 1 1.00000000 0.81566086 0.50000000 1.0 Pr Pr3 1 0.32852721 0.66406811 0.00000000 1.0 Pr Pr4 1 0.67147279 0.33553990 0.00000000 1.0 P P5 1 0.80783523 0.80957970 0.00000000 1.0 P P6 1 0.19216477 0.00174347 0.00000000 1.0 P P7 1 1.00000000 0.18629044 0.00000000 1.0 P P8 1 0.16942276 0.47457435 0.50000000 1.0 P P9 1 0.51988464 0.70174440 0.50000000 1.0 P P10 1 0.29655309 0.82203248 0.50000000 1.0 P P11 1 0.70344691 0.52548139 0.50000000 1.0 P P12 1 0.83057724 0.30515159 0.50000000 1.0 P P13 1 0.48011536 0.18186076 0.50000000 1.0 P P14 1 0.36872813 0.36900035 0.00000000 1.0 P P15 1 0.63127187 0.00027322 0.00000000 1.0 P P16 1 0.00000000 0.62310938 0.00000000 1.0 Pd Pd17 1 0.55190162 0.55334814 0.00000000 1.0 Pd Pd18 1 0.44809838 0.00144652 0.00000000 1.0 Ru Ru19 1 1.00000000 0.44442423 0.00000000 1.0 Ru Ru20 1 0.70814046 0.71064868 0.50000000 1.0 Ru Ru21 1 0.29185954 0.00250822 0.50000000 1.0 Ru Ru22 1 1.00000000 0.28401439 0.50000000 1.0 Ru Ru23 1 0.18456505 0.37814129 0.00000000 1.0 Ru Ru24 1 0.61688866 0.80472715 0.00000000 1.0 Ru Ru25 1 0.19380902 0.81577881 0.00000000 1.0 Ru Ru26 1 0.80619098 0.62197079 0.00000000 1.0 Ru Ru27 1 0.81543495 0.19357523 0.00000000 1.0 Ru Ru28 1 0.38311134 0.18783849 0.00000000 1.0 Ru Ru29 1 0.36667162 0.49249056 0.50000000 1.0 Ru Ru30 1 0.50731919 0.87950140 0.50000000 1.0 Ru Ru31 1 0.12210611 0.63043985 0.50000000 1.0 Ru Ru32 1 0.87789389 0.50833374 0.50000000 1.0 Ru Ru33 1 0.63332838 0.12581894 0.50000000 1.0 Ru Ru34 1 0.49268081 0.37218220 0.50000000 1.0 Ru Ru35 1 0.00000000 0.99703928 0.00000000 1.0