# generated using pymatgen data_Hf6Zr3CuRe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64473196 _cell_length_b 8.64473227 _cell_length_c 8.46482188 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000636 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Zr3CuRe4 _chemical_formula_sum 'Hf12 Zr6 Cu2 Re8' _cell_volume 547.83718520 _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 0.19426077 0.80573923 0.44536718 1.0 Hf Hf1 1 0.19426077 0.38852054 0.44536718 1.0 Hf Hf2 1 0.61147946 0.80573923 0.44536718 1.0 Hf Hf3 1 0.80573923 0.19426077 0.55463282 1.0 Hf Hf4 1 0.80573923 0.61147946 0.55463282 1.0 Hf Hf5 1 0.38852054 0.19426077 0.55463282 1.0 Hf Hf6 1 0.80573923 0.19426077 0.94536718 1.0 Hf Hf7 1 0.80573923 0.61147946 0.94536718 1.0 Hf Hf8 1 0.38852054 0.19426077 0.94536718 1.0 Hf Hf9 1 0.19426077 0.80573923 0.05463282 1.0 Hf Hf10 1 0.19426077 0.38852054 0.05463282 1.0 Hf Hf11 1 0.61147946 0.80573923 0.05463282 1.0 Zr Zr12 1 0.54086852 0.45913148 0.25000000 1.0 Zr Zr13 1 0.54086852 0.08173605 0.25000000 1.0 Zr Zr14 1 0.91826395 0.45913148 0.25000000 1.0 Zr Zr15 1 0.45913148 0.54086852 0.75000000 1.0 Zr Zr16 1 0.45913148 0.91826395 0.75000000 1.0 Zr Zr17 1 0.08173605 0.54086852 0.75000000 1.0 Cu Cu18 1 0.33333300 0.66666700 0.25000000 1.0 Cu Cu19 1 0.66666700 0.33333300 0.75000000 1.0 Re Re20 1 0.89055597 0.10944403 0.25000000 1.0 Re Re21 1 0.89055597 0.78111094 0.25000000 1.0 Re Re22 1 0.21888906 0.10944403 0.25000000 1.0 Re Re23 1 0.10944403 0.89055597 0.75000000 1.0 Re Re24 1 0.10944403 0.21888906 0.75000000 1.0 Re Re25 1 0.78111094 0.89055597 0.75000000 1.0 Re Re26 1 0.00000000 0.00000000 0.50000000 1.0 Re Re27 1 0.00000000 0.00000000 0.00000000 1.0