# generated using pymatgen data_Hf9Nb3ReAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70705982 _cell_length_b 8.70706088 _cell_length_c 8.80562876 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00765057 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Nb3ReAs _chemical_formula_sum 'Hf18 Nb6 Re2 As2' _cell_volume 578.09688259 _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 0.80363693 0.60726018 0.54552366 1.0 Hf Hf1 1 0.80337387 0.19662613 0.54534806 1.0 Hf Hf2 1 0.39273982 0.19636307 0.54552366 1.0 Hf Hf3 1 0.19636307 0.39273982 0.45447634 1.0 Hf Hf4 1 0.19662613 0.80337387 0.45465194 1.0 Hf Hf5 1 0.60726018 0.80363693 0.45447634 1.0 Hf Hf6 1 0.19636307 0.39273982 0.04552366 1.0 Hf Hf7 1 0.19662613 0.80337387 0.04534806 1.0 Hf Hf8 1 0.60726018 0.80363693 0.04552366 1.0 Hf Hf9 1 0.80363693 0.60726018 0.95447634 1.0 Hf Hf10 1 0.80337387 0.19662613 0.95465194 1.0 Hf Hf11 1 0.39273982 0.19636307 0.95447634 1.0 Hf Hf12 1 0.46084865 0.92168903 0.75000000 1.0 Hf Hf13 1 0.46081953 0.53918047 0.75000000 1.0 Hf Hf14 1 0.07831097 0.53915135 0.75000000 1.0 Hf Hf15 1 0.53915135 0.07831097 0.25000000 1.0 Hf Hf16 1 0.53918047 0.46081953 0.25000000 1.0 Hf Hf17 1 0.92168903 0.46084865 0.25000000 1.0 Nb Nb18 1 0.11056835 0.22141151 0.75000000 1.0 Nb Nb19 1 0.11068730 0.88931270 0.75000000 1.0 Nb Nb20 1 0.77858849 0.88943165 0.75000000 1.0 Nb Nb21 1 0.88943165 0.77858849 0.25000000 1.0 Nb Nb22 1 0.88931270 0.11068730 0.25000000 1.0 Nb Nb23 1 0.22141151 0.11056835 0.25000000 1.0 Re Re24 1 0.00000000 0.00000000 0.50000000 1.0 Re Re25 1 0.00000000 0.00000000 0.00000000 1.0 As As26 1 0.66651229 0.33348771 0.75000000 1.0 As As27 1 0.33348771 0.66651229 0.25000000 1.0