# generated using pymatgen data_HfZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16058764 _cell_length_b 5.16058764 _cell_length_c 16.76070842 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99922537 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZn2 _chemical_formula_sum 'Hf8 Zn16' _cell_volume 386.56693849 _cell_formula_units_Z 8 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 0.00000049 0.99999951 0.59203386 1.0 Hf Hf1 1 0.99999951 0.00000049 0.40796614 1.0 Hf Hf2 1 0.99999951 0.00000049 0.09203386 1.0 Hf Hf3 1 0.00000049 0.99999951 0.90796614 1.0 Hf Hf4 1 0.66666789 0.33333211 0.34379847 1.0 Hf Hf5 1 0.33333211 0.66666789 0.65620153 1.0 Hf Hf6 1 0.33333211 0.66666789 0.84379847 1.0 Hf Hf7 1 0.66666789 0.33333211 0.15620153 1.0 Zn Zn8 1 0.66666854 0.33333146 0.62692427 1.0 Zn Zn9 1 0.33333146 0.66666854 0.37307573 1.0 Zn Zn10 1 0.33333146 0.66666854 0.12692427 1.0 Zn Zn11 1 0.66666854 0.33333146 0.87307573 1.0 Zn Zn12 1 0.50000000 -0.00000000 0.50000000 1.0 Zn Zn13 1 0.50000000 0.50000000 0.50000000 1.0 Zn Zn14 1 -0.00000000 0.50000000 0.50000000 1.0 Zn Zn15 1 0.50000000 -0.00000000 0.00000000 1.0 Zn Zn16 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn17 1 -0.00000000 0.50000000 0.00000000 1.0 Zn Zn18 1 0.83838809 0.67679178 0.75000000 1.0 Zn Zn19 1 0.83838673 0.16161327 0.75000000 1.0 Zn Zn20 1 0.32320822 0.16161191 0.75000000 1.0 Zn Zn21 1 0.16161191 0.32320822 0.25000000 1.0 Zn Zn22 1 0.16161327 0.83838673 0.25000000 1.0 Zn Zn23 1 0.67679178 0.83838809 0.25000000 1.0