# generated using pymatgen data_HfTiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.30949384 _cell_length_b 10.30949384 _cell_length_c 10.30949384 _cell_angle_alpha 129.23128991 _cell_angle_beta 115.82855425 _cell_angle_gamma 86.09328899 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTiRu2 _chemical_formula_sum 'Hf1 Ti1 Ru2' _cell_volume 729.38887049 _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 0.50000000 0.50000000 1.0 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru2 1 0.00000000 0.24020000 0.24020000 1.0 Ru Ru3 1 0.00000000 0.75980000 0.75980000 1.0