# generated using pymatgen data_Hf18Re5Ni2Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61048216 _cell_length_b 8.61048317 _cell_length_c 8.37375922 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99199141 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18Re5Ni2Mo3 _chemical_formula_sum 'Hf18 Re5 Ni2 Mo3' _cell_volume 537.70136124 _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 0.19915652 0.80084348 0.44200500 1.0 Hf Hf1 1 0.19998882 0.39953654 0.44346923 1.0 Hf Hf2 1 0.60046346 0.80001118 0.44346923 1.0 Hf Hf3 1 0.80058895 0.19941105 0.55860595 1.0 Hf Hf4 1 0.80101405 0.60189978 0.55797298 1.0 Hf Hf5 1 0.39810022 0.19898595 0.55797298 1.0 Hf Hf6 1 0.80058895 0.19941105 0.94139405 1.0 Hf Hf7 1 0.80101405 0.60189978 0.94202702 1.0 Hf Hf8 1 0.39810022 0.19898595 0.94202702 1.0 Hf Hf9 1 0.19915652 0.80084348 0.05799500 1.0 Hf Hf10 1 0.19998882 0.39953654 0.05653077 1.0 Hf Hf11 1 0.60046346 0.80001118 0.05653077 1.0 Hf Hf12 1 0.54140014 0.45859986 0.25000000 1.0 Hf Hf13 1 0.54052250 0.08247972 0.25000000 1.0 Hf Hf14 1 0.91752028 0.45947750 0.25000000 1.0 Hf Hf15 1 0.45857755 0.54142245 0.75000000 1.0 Hf Hf16 1 0.45779437 0.91703213 0.75000000 1.0 Hf Hf17 1 0.08296787 0.54220563 0.75000000 1.0 Re Re18 1 0.88871630 0.77584907 0.25000000 1.0 Re Re19 1 0.22415093 0.11128370 0.25000000 1.0 Re Re20 1 0.11113558 0.88886442 0.75000000 1.0 Re Re21 1 0.11164891 0.22299287 0.75000000 1.0 Re Re22 1 0.77700713 0.88835109 0.75000000 1.0 Ni Ni23 1 0.33344354 0.66655646 0.25000000 1.0 Ni Ni24 1 0.66619096 0.33380904 0.75000000 1.0 Mo Mo25 1 0.89001357 0.10998643 0.25000000 1.0 Mo Mo26 1 0.00014217 0.99985783 0.49942288 1.0 Mo Mo27 1 0.00014217 0.99985783 0.00057712 1.0