# generated using pymatgen data_Hf5Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.85042359 _cell_length_b 7.85042353 _cell_length_c 5.47632421 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999322 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Si3 _chemical_formula_sum 'Hf10 Si6' _cell_volume 292.28463881 _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 0.00002513 0.74698281 0.75000000 1.0 Hf Hf1 1 0.00002513 0.25304203 0.25000000 1.0 Hf Hf2 1 0.74695750 0.74698237 0.25000000 1.0 Hf Hf3 1 0.74695797 -0.00002513 0.75000000 1.0 Hf Hf4 1 0.25301763 0.25304250 0.75000000 1.0 Hf Hf5 1 0.25301719 -0.00002513 0.25000000 1.0 Hf Hf6 1 0.33333336 0.66666664 0.50000000 1.0 Hf Hf7 1 0.66666669 0.33333331 0.00000000 1.0 Hf Hf8 1 0.66666669 0.33333331 0.50000000 1.0 Hf Hf9 1 0.33333336 0.66666664 -0.00000000 1.0 Si Si10 1 0.39068681 -0.00000466 0.75000000 1.0 Si Si11 1 0.39068693 0.39069153 0.25000000 1.0 Si Si12 1 0.00000466 0.60931319 0.25000000 1.0 Si Si13 1 0.00000480 0.39069132 0.75000000 1.0 Si Si14 1 0.60930847 0.60931307 0.75000000 1.0 Si Si15 1 0.60930868 -0.00000480 0.25000000 1.0