# generated using pymatgen data_Hf5P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.31359016 _cell_length_b 12.31359068 _cell_length_c 3.87622640 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999861 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5P12Ru19 _chemical_formula_sum 'Hf5 P12 Ru19' _cell_volume 508.98991816 _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 Hf Hf0 1 0.19006856 0.19006856 0.50000000 1.0 Hf Hf1 1 0.80993144 0.00000000 0.50000000 1.0 Hf Hf2 1 0.00000000 0.80993144 0.50000000 1.0 Hf Hf3 1 0.33333300 0.66666700 0.00000000 1.0 Hf Hf4 1 0.66666700 0.33333300 0.00000000 1.0 P P5 1 0.82017280 0.82017280 0.00000000 1.0 P P6 1 0.17982720 0.00000000 0.00000000 1.0 P P7 1 1.00000000 0.17982720 0.00000000 1.0 P P8 1 0.17285971 0.47967626 0.50000000 1.0 P P9 1 0.52032374 0.69318346 0.50000000 1.0 P P10 1 0.30681654 0.82714029 0.50000000 1.0 P P11 1 0.69318346 0.52032374 0.50000000 1.0 P P12 1 0.82714029 0.30681654 0.50000000 1.0 P P13 1 0.47967626 0.17285971 0.50000000 1.0 P P14 1 0.36957141 0.36957141 0.00000000 1.0 P P15 1 0.63042859 0.00000000 0.00000000 1.0 P P16 1 0.00000000 0.63042859 0.00000000 1.0 Ru Ru17 1 0.55521689 0.55521689 0.00000000 1.0 Ru Ru18 1 0.44478311 0.00000000 0.00000000 1.0 Ru Ru19 1 1.00000000 0.44478311 0.00000000 1.0 Ru Ru20 1 0.72144823 0.72144823 0.50000000 1.0 Ru Ru21 1 0.27855177 0.00000000 0.50000000 1.0 Ru Ru22 1 1.00000000 0.27855177 0.50000000 1.0 Ru Ru23 1 0.18439479 0.37296689 0.00000000 1.0 Ru Ru24 1 0.62703311 0.81142790 0.00000000 1.0 Ru Ru25 1 0.18857210 0.81560521 0.00000000 1.0 Ru Ru26 1 0.81142790 0.62703311 0.00000000 1.0 Ru Ru27 1 0.81560521 0.18857210 0.00000000 1.0 Ru Ru28 1 0.37296689 0.18439479 0.00000000 1.0 Ru Ru29 1 0.36545920 0.49475782 0.50000000 1.0 Ru Ru30 1 0.50524218 0.87070237 0.50000000 1.0 Ru Ru31 1 0.12929763 0.63454080 0.50000000 1.0 Ru Ru32 1 0.87070237 0.50524218 0.50000000 1.0 Ru Ru33 1 0.63454080 0.12929763 0.50000000 1.0 Ru Ru34 1 0.49475782 0.36545920 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0