# generated using pymatgen data_Hf6Ti6Sn9Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44068156 _cell_length_b 9.44068300 _cell_length_c 5.75850463 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000531 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Ti6Sn9Au _chemical_formula_sum 'Hf6 Ti6 Sn9 Au1' _cell_volume 444.47474887 _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 0.84663226 0.69326352 0.74824210 1.0 Hf Hf1 1 0.15336774 0.84663226 0.25175790 1.0 Hf Hf2 1 0.69326352 0.84663226 0.25175790 1.0 Hf Hf3 1 0.30673648 0.15336774 0.74824210 1.0 Hf Hf4 1 0.84663226 0.15336774 0.74824210 1.0 Hf Hf5 1 0.15336774 0.30673648 0.25175790 1.0 Ti Ti6 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti7 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti8 1 0.00000000 0.50000000 0.00000000 1.0 Ti Ti9 1 0.00000000 0.50000000 0.50000000 1.0 Ti Ti10 1 0.50000000 0.00000000 0.00000000 1.0 Ti Ti11 1 0.50000000 0.50000000 0.50000000 1.0 Sn Sn12 1 0.20845907 0.41691814 0.75041757 1.0 Sn Sn13 1 0.79154093 0.20845907 0.24958243 1.0 Sn Sn14 1 0.41691814 0.20845907 0.24958243 1.0 Sn Sn15 1 0.58308186 0.79154093 0.75041757 1.0 Sn Sn16 1 0.20845907 0.79154093 0.75041757 1.0 Sn Sn17 1 0.79154093 0.58308186 0.24958243 1.0 Sn Sn18 1 0.66666700 0.33333300 0.75029557 1.0 Sn Sn19 1 0.33333300 0.66666700 0.24970443 1.0 Sn Sn20 1 0.00000000 0.00000000 0.00000000 1.0 Au Au21 1 0.00000000 0.00000000 0.50000000 1.0