# generated using pymatgen data_HfTaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.64306760 _cell_length_b 10.64306760 _cell_length_c 10.64306760 _cell_angle_alpha 129.61090879 _cell_angle_beta 117.47130680 _cell_angle_gamma 84.32560672 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaRu2 _chemical_formula_sum 'Hf1 Ta1 Ru2' _cell_volume 789.71976701 _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 0.00000000 0.00000000 0.00000000 1.0 Ta Ta1 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru2 1 0.00000000 0.25627200 0.25627200 1.0 Ru Ru3 1 0.00000000 0.74372800 0.74372800 1.0