# generated using pymatgen data_Hf6Al16Ir5Pd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65878640 _cell_length_b 8.65878646 _cell_length_c 8.68936113 _cell_angle_alpha 59.88312838 _cell_angle_beta 59.88312814 _cell_angle_gamma 60.04235162 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Al16Ir5Pd2 _chemical_formula_sum 'Hf6 Al16 Ir5 Pd2' _cell_volume 459.99781916 _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 0.68570724 0.31429276 0.31193808 1.0 Hf Hf1 1 0.31429276 0.68570724 0.68806192 1.0 Hf Hf2 1 0.31429276 0.68570724 0.31193808 1.0 Hf Hf3 1 0.68570724 0.31429276 0.68806192 1.0 Hf Hf4 1 0.32369016 0.32369016 0.67630984 1.0 Hf Hf5 1 0.67630984 0.67630984 0.32369016 1.0 Al Al6 1 0.33832900 0.33832900 0.33697554 1.0 Al Al7 1 0.66167100 0.66167100 0.66302446 1.0 Al Al8 1 0.33832900 0.33832900 0.98636646 1.0 Al Al9 1 0.33837449 0.98607614 0.33777469 1.0 Al Al10 1 0.66167100 0.66167100 0.01363354 1.0 Al Al11 1 0.66162551 0.01392386 0.66222531 1.0 Al Al12 1 0.98607614 0.33837449 0.33777469 1.0 Al Al13 1 0.01392386 0.66162551 0.66222531 1.0 Al Al14 1 0.12387649 0.12387649 0.11416016 1.0 Al Al15 1 0.87612351 0.87612351 0.88583984 1.0 Al Al16 1 0.12387649 0.12387649 0.63808686 1.0 Al Al17 1 0.12106413 0.63547234 0.12173176 1.0 Al Al18 1 0.87612351 0.87612351 0.36191314 1.0 Al Al19 1 0.87893587 0.36452766 0.87826824 1.0 Al Al20 1 0.63547234 0.12106413 0.12173176 1.0 Al Al21 1 0.36452766 0.87893587 0.87826824 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 0.50000000 0.50000000 0.00000000 1.0 Pd Pd27 1 0.00000000 0.00000000 0.50000000 1.0 Pd Pd28 1 0.00000000 0.00000000 0.00000000 1.0