# generated using pymatgen data_Hf9TaGaRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64789758 _cell_length_b 8.64789828 _cell_length_c 8.60499121 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000487 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9TaGaRe3 _chemical_formula_sum 'Hf18 Ta2 Ga2 Re6' _cell_volume 557.31682101 _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 0.19631501 0.80368499 0.45402294 1.0 Hf Hf1 1 0.19631501 0.39262901 0.45402294 1.0 Hf Hf2 1 0.60737099 0.80368499 0.45402294 1.0 Hf Hf3 1 0.80368499 0.19631501 0.54597706 1.0 Hf Hf4 1 0.80368499 0.60737099 0.54597706 1.0 Hf Hf5 1 0.39262901 0.19631501 0.54597706 1.0 Hf Hf6 1 0.80368499 0.19631501 0.95402294 1.0 Hf Hf7 1 0.80368499 0.60737099 0.95402294 1.0 Hf Hf8 1 0.39262901 0.19631501 0.95402294 1.0 Hf Hf9 1 0.19631501 0.80368499 0.04597706 1.0 Hf Hf10 1 0.19631501 0.39262901 0.04597706 1.0 Hf Hf11 1 0.60737099 0.80368499 0.04597706 1.0 Hf Hf12 1 0.53972444 0.46027556 0.25000000 1.0 Hf Hf13 1 0.53972444 0.07944788 0.25000000 1.0 Hf Hf14 1 0.92055212 0.46027556 0.25000000 1.0 Hf Hf15 1 0.46027556 0.53972444 0.75000000 1.0 Hf Hf16 1 0.46027556 0.92055212 0.75000000 1.0 Hf Hf17 1 0.07944788 0.53972444 0.75000000 1.0 Ta Ta18 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta19 1 0.00000000 0.00000000 0.00000000 1.0 Ga Ga20 1 0.33333300 0.66666700 0.25000000 1.0 Ga Ga21 1 0.66666700 0.33333300 0.75000000 1.0 Re Re22 1 0.88760468 0.11239532 0.25000000 1.0 Re Re23 1 0.88760468 0.77521135 0.25000000 1.0 Re Re24 1 0.22478865 0.11239532 0.25000000 1.0 Re Re25 1 0.11239532 0.88760468 0.75000000 1.0 Re Re26 1 0.11239532 0.22478865 0.75000000 1.0 Re Re27 1 0.77521135 0.88760468 0.75000000 1.0