# generated using pymatgen data_Hf6Zr3NiMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37179520 _cell_length_b 8.72548767 _cell_length_c 8.72548720 _cell_angle_alpha 120.00121816 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Zr3NiMo4 _chemical_formula_sum 'Hf12 Zr6 Ni2 Mo8' _cell_volume 551.97993515 _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 0.55882692 0.80029339 0.60059433 1.0 Hf Hf1 1 0.55882341 0.80030946 0.19969054 1.0 Hf Hf2 1 0.55882692 0.39940567 0.19970661 1.0 Hf Hf3 1 0.44117308 0.19970661 0.39940567 1.0 Hf Hf4 1 0.44117659 0.19969054 0.80030946 1.0 Hf Hf5 1 0.44117308 0.60059433 0.80029339 1.0 Hf Hf6 1 0.05882692 0.19970661 0.39940567 1.0 Hf Hf7 1 0.05882341 0.19969054 0.80030946 1.0 Hf Hf8 1 0.05882692 0.60059433 0.80029339 1.0 Hf Hf9 1 0.94117308 0.80029339 0.60059433 1.0 Hf Hf10 1 0.94117659 0.80030946 0.19969054 1.0 Hf Hf11 1 0.94117308 0.39940567 0.19970661 1.0 Zr Zr12 1 0.75000000 0.45825814 0.91652017 1.0 Zr Zr13 1 0.75000000 0.45827537 0.54172463 1.0 Zr Zr14 1 0.75000000 0.08347983 0.54174186 1.0 Zr Zr15 1 0.25000000 0.54174186 0.08347983 1.0 Zr Zr16 1 0.25000000 0.54172463 0.45827537 1.0 Zr Zr17 1 0.25000000 0.91652017 0.45825814 1.0 Ni Ni18 1 0.75000000 0.66667734 0.33332266 1.0 Ni Ni19 1 0.25000000 0.33332266 0.66667734 1.0 Mo Mo20 1 0.75000000 0.11098305 0.22193285 1.0 Mo Mo21 1 0.75000000 0.11097483 0.88902517 1.0 Mo Mo22 1 0.75000000 0.77806715 0.88901695 1.0 Mo Mo23 1 0.25000000 0.88901695 0.77806715 1.0 Mo Mo24 1 0.25000000 0.88902517 0.11097483 1.0 Mo Mo25 1 0.25000000 0.22193285 0.11098305 1.0 Mo Mo26 1 0.50000000 0.00000000 0.00000000 1.0 Mo Mo27 1 0.00000000 0.00000000 0.00000000 1.0