# generated using pymatgen data_Pr5P12PdRu18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.53124064 _cell_length_b 12.62918040 _cell_length_c 4.01716704 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.74379274 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr5P12PdRu18 _chemical_formula_sum 'Pr5 P12 Pd1 Ru18' _cell_volume 551.99507614 _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 0.81769425 1.00000000 0.50000000 1.0 Pr Pr1 1 0.00151208 0.81679353 0.50000000 1.0 Pr Pr2 1 0.18471855 0.18320647 0.50000000 1.0 Pr Pr3 1 0.33133457 0.66202768 0.00000000 1.0 Pr Pr4 1 0.66930789 0.33797232 0.00000000 1.0 P P5 1 0.19288657 1.00000000 0.00000000 1.0 P P6 1 0.99860919 0.18657087 0.00000000 1.0 P P7 1 0.81203732 0.81342913 0.00000000 1.0 P P8 1 0.52251540 0.69451606 0.50000000 1.0 P P9 1 0.29675343 0.81902042 0.50000000 1.0 P P10 1 0.16818909 0.47204804 0.50000000 1.0 P P11 1 0.47773302 0.18097958 0.50000000 1.0 P P12 1 0.69614206 0.52795196 0.50000000 1.0 P P13 1 0.82799934 0.30548394 0.50000000 1.0 P P14 1 0.63195920 0.00000000 0.00000000 1.0 P P15 1 0.99919855 0.62287667 0.00000000 1.0 P P16 1 0.37632187 0.37712333 0.00000000 1.0 Pd Pd17 1 0.44797120 1.00000000 0.00000000 1.0 Ru Ru18 1 0.99760842 0.44340913 0.00000000 1.0 Ru Ru19 1 0.55419929 0.55659087 0.00000000 1.0 Ru Ru20 1 0.29156506 1.00000000 0.50000000 1.0 Ru Ru21 1 0.99765870 0.28348275 0.50000000 1.0 Ru Ru22 1 0.71417595 0.71651725 0.50000000 1.0 Ru Ru23 1 0.61912297 0.80554285 0.00000000 1.0 Ru Ru24 1 0.19455692 0.81360508 0.00000000 1.0 Ru Ru25 1 0.18283419 0.37583845 0.00000000 1.0 Ru Ru26 1 0.38095083 0.18639492 0.00000000 1.0 Ru Ru27 1 0.80699574 0.62416155 0.00000000 1.0 Ru Ru28 1 0.81358012 0.19445715 0.00000000 1.0 Ru Ru29 1 0.50671272 0.87550822 0.50000000 1.0 Ru Ru30 1 0.12051106 0.62839107 0.50000000 1.0 Ru Ru31 1 0.36557050 0.49139828 0.50000000 1.0 Ru Ru32 1 0.49212100 0.37160893 0.50000000 1.0 Ru Ru33 1 0.87417222 0.50860172 0.50000000 1.0 Ru Ru34 1 0.63120551 0.12449178 0.50000000 1.0 Ru Ru35 1 0.00357423 1.00000000 0.00000000 1.0