# generated using pymatgen data_Hf3Si2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66328402 _cell_length_b 6.98985191 _cell_length_c 6.98985191 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Si2 _chemical_formula_sum 'Hf6 Si4' _cell_volume 178.98083954 _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 0.50000000 0.67322933 0.82677067 1.0 Hf Hf1 1 0.50000000 0.82677067 0.32677067 1.0 Hf Hf2 1 0.50000000 0.32677067 0.17322933 1.0 Hf Hf3 1 0.50000000 0.17322933 0.67322933 1.0 Hf Hf4 1 -0.00000000 0.50000000 0.50000000 1.0 Hf Hf5 1 -0.00000000 -0.00000000 0.00000000 1.0 Si Si6 1 -0.00000000 0.62360275 0.12360275 1.0 Si Si7 1 0.00000000 0.87639725 0.62360275 1.0 Si Si8 1 -0.00000000 0.12360275 0.37639725 1.0 Si Si9 1 0.00000000 0.37639725 0.87639725 1.0