# generated using pymatgen data_HfZr6(Pd4Au)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13326297 _cell_length_b 8.13326224 _cell_length_c 9.70234690 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.30380524 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr6(Pd4Au)2 _chemical_formula_sum 'Hf2 Zr12 Pd16 Au4' _cell_volume 616.00054017 _cell_formula_units_Z 2 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 0.00000000 0.00000000 0.00000000 1.0 Hf Hf1 1 0.50000000 0.50000000 0.50000000 1.0 Zr Zr2 1 0.69529396 0.30470604 0.00000000 1.0 Zr Zr3 1 0.30470604 0.69529396 0.00000000 1.0 Zr Zr4 1 0.80470604 0.19529396 0.50000000 1.0 Zr Zr5 1 0.19529396 0.80470604 0.50000000 1.0 Zr Zr6 1 0.99994479 0.49994479 0.25000000 1.0 Zr Zr7 1 0.00005521 0.50005521 0.75000000 1.0 Zr Zr8 1 0.50005521 0.00005521 0.75000000 1.0 Zr Zr9 1 0.49994479 0.99994479 0.25000000 1.0 Zr Zr10 1 0.31368373 0.31368373 0.18705088 1.0 Zr Zr11 1 0.68631627 0.68631627 0.81294912 1.0 Zr Zr12 1 0.18631627 0.18631627 0.68705088 1.0 Zr Zr13 1 0.81368373 0.81368373 0.31294912 1.0 Pd Pd14 1 0.85469772 0.14677472 0.20524355 1.0 Pd Pd15 1 0.14530228 0.85322528 0.79475645 1.0 Pd Pd16 1 0.64530228 0.35322528 0.70524355 1.0 Pd Pd17 1 0.64677472 0.35469772 0.29475645 1.0 Pd Pd18 1 0.35469772 0.64677472 0.29475645 1.0 Pd Pd19 1 0.35322528 0.64530228 0.70524355 1.0 Pd Pd20 1 0.85322528 0.14530228 0.79475645 1.0 Pd Pd21 1 0.14677472 0.85469772 0.20524355 1.0 Pd Pd22 1 0.93888509 0.64773033 0.00137570 1.0 Pd Pd23 1 0.06111491 0.35226967 0.99862430 1.0 Pd Pd24 1 0.56111491 0.85226967 0.50137570 1.0 Pd Pd25 1 0.14773033 0.43888509 0.49862430 1.0 Pd Pd26 1 0.43888509 0.14773033 0.49862430 1.0 Pd Pd27 1 0.85226967 0.56111491 0.50137570 1.0 Pd Pd28 1 0.35226967 0.06111491 0.99862430 1.0 Pd Pd29 1 0.64773033 0.93888509 0.00137570 1.0 Au Au30 1 0.10587264 0.10587264 0.39338876 1.0 Au Au31 1 0.89412736 0.89412736 0.60661124 1.0 Au Au32 1 0.39412736 0.39412736 0.89338876 1.0 Au Au33 1 0.60587264 0.60587264 0.10661124 1.0