# generated using pymatgen data_Hf6Zr3Re4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60398073 _cell_length_b 8.60398077 _cell_length_c 8.45420323 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000360 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Zr3Re4Ni _chemical_formula_sum 'Hf12 Zr6 Re8 Ni2' _cell_volume 542.00358568 _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 0.19674661 0.80325339 0.44210058 1.0 Hf Hf1 1 0.19674661 0.39349222 0.44210058 1.0 Hf Hf2 1 0.60650778 0.80325339 0.44210058 1.0 Hf Hf3 1 0.80325339 0.19674661 0.55789942 1.0 Hf Hf4 1 0.80325339 0.60650778 0.55789942 1.0 Hf Hf5 1 0.39349222 0.19674661 0.55789942 1.0 Hf Hf6 1 0.80325339 0.19674661 0.94210058 1.0 Hf Hf7 1 0.80325339 0.60650778 0.94210058 1.0 Hf Hf8 1 0.39349222 0.19674661 0.94210058 1.0 Hf Hf9 1 0.19674661 0.80325339 0.05789942 1.0 Hf Hf10 1 0.19674661 0.39349222 0.05789942 1.0 Hf Hf11 1 0.60650778 0.80325339 0.05789942 1.0 Zr Zr12 1 0.54137641 0.45862359 0.25000000 1.0 Zr Zr13 1 0.54137641 0.08275181 0.25000000 1.0 Zr Zr14 1 0.91724819 0.45862359 0.25000000 1.0 Zr Zr15 1 0.45862359 0.54137641 0.75000000 1.0 Zr Zr16 1 0.45862359 0.91724819 0.75000000 1.0 Zr Zr17 1 0.08275181 0.54137641 0.75000000 1.0 Re Re18 1 0.89033463 0.10966537 0.25000000 1.0 Re Re19 1 0.89033463 0.78066827 0.25000000 1.0 Re Re20 1 0.21933173 0.10966537 0.25000000 1.0 Re Re21 1 0.10966537 0.89033463 0.75000000 1.0 Re Re22 1 0.10966537 0.21933173 0.75000000 1.0 Re Re23 1 0.78066827 0.89033463 0.75000000 1.0 Re Re24 1 0.00000000 0.00000000 0.50000000 1.0 Re Re25 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni26 1 0.33333300 0.66666700 0.25000000 1.0 Ni Ni27 1 0.66666700 0.33333300 0.75000000 1.0