# generated using pymatgen data_Hf6Al16Ir5Au2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69503862 _cell_length_b 8.69503879 _cell_length_c 8.68908634 _cell_angle_alpha 60.02264312 _cell_angle_beta 60.02264249 _cell_angle_gamma 59.95471250 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Al16Ir5Au2 _chemical_formula_sum 'Hf6 Al16 Ir5 Au2' _cell_volume 464.51713753 _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 0.68849537 0.31150463 0.31150463 1.0 Hf Hf1 1 0.31150463 0.68849537 0.68849537 1.0 Hf Hf2 1 0.31150463 0.68849537 0.31150463 1.0 Hf Hf3 1 0.68849537 0.31150463 0.68849537 1.0 Hf Hf4 1 0.32690549 0.32690549 0.67309451 1.0 Hf Hf5 1 0.67309451 0.67309451 0.32690549 1.0 Al Al6 1 0.33453267 0.33453267 0.34053332 1.0 Al Al7 1 0.66546733 0.66546733 0.65946668 1.0 Al Al8 1 0.33453267 0.33453267 0.99040133 1.0 Al Al9 1 0.34053332 0.99040133 0.33453267 1.0 Al Al10 1 0.66546733 0.66546733 0.00959867 1.0 Al Al11 1 0.65946668 0.00959867 0.66546733 1.0 Al Al12 1 0.99040133 0.34053332 0.33453267 1.0 Al Al13 1 0.00959867 0.65946668 0.66546733 1.0 Al Al14 1 0.12510182 0.12510182 0.10675570 1.0 Al Al15 1 0.87489818 0.87489818 0.89324430 1.0 Al Al16 1 0.12510182 0.12510182 0.64303966 1.0 Al Al17 1 0.10675570 0.64303966 0.12510182 1.0 Al Al18 1 0.87489818 0.87489818 0.35696034 1.0 Al Al19 1 0.89324430 0.35696034 0.87489818 1.0 Al Al20 1 0.64303966 0.10675570 0.12510182 1.0 Al Al21 1 0.35696034 0.89324430 0.87489818 1.0 Ir Ir22 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir24 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir25 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Au Au27 1 0.00000000 0.00000000 0.50000000 1.0 Au Au28 1 0.50000000 0.50000000 0.00000000 1.0