# generated using pymatgen data_Hf2Nb3Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49310497 _cell_length_b 5.45405207 _cell_length_c 8.84317697 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.76509298 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Nb3Re _chemical_formula_sum 'Hf4 Nb6 Re2' _cell_volume 229.98487520 _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 0.33159814 0.66407447 0.06299589 1.0 Hf Hf1 1 0.66840186 0.33247633 0.56299589 1.0 Hf Hf2 1 0.66840186 0.33247633 0.93700411 1.0 Hf Hf3 1 0.33159814 0.66407447 0.43700411 1.0 Nb Nb4 1 0.00000000 0.00784736 0.00000000 1.0 Nb Nb5 1 0.00000000 0.00784736 0.50000000 1.0 Nb Nb6 1 0.82908180 0.65718051 0.25000000 1.0 Nb Nb7 1 0.17091820 0.82809770 0.75000000 1.0 Nb Nb8 1 0.65398203 0.82519532 0.75000000 1.0 Nb Nb9 1 0.34601797 0.17121430 0.25000000 1.0 Re Re10 1 0.83168815 0.17060250 0.25000000 1.0 Re Re11 1 0.16831185 0.33891335 0.75000000 1.0