# generated using pymatgen data_HfTi(SiRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45117198 _cell_length_b 7.45463712 _cell_length_c 7.45117088 _cell_angle_alpha 127.89690108 _cell_angle_beta 122.56183410 _cell_angle_gamma 81.21850608 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTi(SiRu)2 _chemical_formula_sum 'Hf3 Ti3 Si6 Ru6' _cell_volume 265.22968714 _cell_formula_units_Z 3 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 0.24259182 0.91058029 0.16798847 1.0 Hf Hf1 1 0.97069789 0.49508564 0.02438675 1.0 Hf Hf2 1 0.03012188 0.04787708 0.51775520 1.0 Ti Ti3 1 0.44367548 0.48196446 0.53828898 1.0 Ti Ti4 1 0.75720867 0.92629727 0.66908860 1.0 Ti Ti5 1 0.55036063 0.10451359 0.05415295 1.0 Si Si6 1 0.78069966 0.55722821 0.27652955 1.0 Si Si7 1 0.17614363 0.16103799 0.00411267 1.0 Si Si8 1 0.65692532 0.16103799 0.48489335 1.0 Si Si9 1 0.35532012 0.82656963 0.51794276 1.0 Si Si10 1 0.22897279 0.46535278 0.73637999 1.0 Si Si11 1 0.80862887 0.82656963 0.97125051 1.0 Ru Ru12 1 0.52581098 0.24671381 0.77404948 1.0 Ru Ru13 1 0.97266433 0.24671381 0.22090284 1.0 Ru Ru14 1 0.84277514 0.49465429 0.58875596 1.0 Ru Ru15 1 0.59001204 0.74767962 0.08618422 1.0 Ru Ru16 1 0.40589733 0.49465429 0.15188015 1.0 Ru Ru17 1 0.16149540 0.74767962 0.65766858 1.0