# generated using pymatgen data_Hf3Fe2Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85383300 _cell_length_b 5.31724251 _cell_length_c 12.85682900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.24705246 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Fe2Si3 _chemical_formula_sum 'Hf6 Fe4 Si6' _cell_volume 245.55087963 _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 0.07796800 0.15593500 0.38664300 1.0 Hf Hf1 1 0.92203200 0.84406500 0.61335700 1.0 Hf Hf2 1 0.07796800 0.15593500 0.11335700 1.0 Hf Hf3 1 0.92203200 0.84406500 0.88664300 1.0 Hf Hf4 1 0.36316500 0.72633000 0.25000000 1.0 Hf Hf5 1 0.63683500 0.27367000 0.75000000 1.0 Fe Fe6 1 0.21972300 0.43944600 0.91847300 1.0 Fe Fe7 1 0.78027700 0.56055400 0.08152700 1.0 Fe Fe8 1 0.21972300 0.43944600 0.58152700 1.0 Fe Fe9 1 0.78027700 0.56055400 0.41847300 1.0 Si Si10 1 0.38834900 0.77669800 0.45756500 1.0 Si Si11 1 0.61165100 0.22330200 0.54243500 1.0 Si Si12 1 0.38834900 0.77669800 0.04243500 1.0 Si Si13 1 0.61165100 0.22330200 0.95756500 1.0 Si Si14 1 0.66356100 0.32712200 0.25000000 1.0 Si Si15 1 0.33643900 0.67287800 0.75000000 1.0