# generated using pymatgen data_Hf13Zr5(Re4Au)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73382440 _cell_length_b 8.71441398 _cell_length_c 8.51301045 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.92651614 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf13Zr5(Re4Au)2 _chemical_formula_sum 'Hf13 Zr5 Re8 Au2' _cell_volume 561.53592784 _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 0.19125016 0.80754675 0.45108134 1.0 Hf Hf1 1 0.19125016 0.38370440 0.45108134 1.0 Hf Hf2 1 0.61796154 0.80898177 0.45045373 1.0 Hf Hf3 1 0.80917276 0.19210386 0.55006028 1.0 Hf Hf4 1 0.80917276 0.61706791 0.55006028 1.0 Hf Hf5 1 0.38213352 0.19106626 0.54963568 1.0 Hf Hf6 1 0.80917276 0.19210386 0.94993972 1.0 Hf Hf7 1 0.80917276 0.61706791 0.94993972 1.0 Hf Hf8 1 0.38213352 0.19106626 0.95036432 1.0 Hf Hf9 1 0.19125016 0.80754675 0.04891866 1.0 Hf Hf10 1 0.19125016 0.38370440 0.04891866 1.0 Hf Hf11 1 0.61796154 0.80898177 0.04954627 1.0 Hf Hf12 1 0.08090252 0.54045276 0.75000000 1.0 Zr Zr13 1 0.54073654 0.45923907 0.25000000 1.0 Zr Zr14 1 0.54073654 0.08149448 0.25000000 1.0 Zr Zr15 1 0.91832119 0.45915910 0.25000000 1.0 Zr Zr16 1 0.45826653 0.54111632 0.75000000 1.0 Zr Zr17 1 0.45826653 0.91715221 0.75000000 1.0 Re Re18 1 0.89216166 0.10854458 0.25000000 1.0 Re Re19 1 0.89216166 0.78361608 0.25000000 1.0 Re Re20 1 0.21629116 0.10814458 0.25000000 1.0 Re Re21 1 0.10781299 0.89041885 0.75000000 1.0 Re Re22 1 0.10781299 0.21739614 0.75000000 1.0 Re Re23 1 0.78419381 0.89209740 0.75000000 1.0 Re Re24 1 0.00012007 0.00006053 0.50004407 1.0 Re Re25 1 0.00012007 0.00006053 0.99995593 1.0 Au Au26 1 0.33427154 0.66713627 0.25000000 1.0 Au Au27 1 0.66594239 0.33297120 0.75000000 1.0