# generated using pymatgen data_HfZn16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86500696 _cell_length_b 6.86500701 _cell_length_c 11.58666560 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.39107679 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZn16 _chemical_formula_sum 'Hf2 Zn32' _cell_volume 504.89009555 _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 0.04708611 0.95291389 0.75000000 1.0 Hf Hf1 1 0.95291389 0.04708611 0.25000000 1.0 Zn Zn2 1 0.35451694 0.98339037 0.93185954 1.0 Zn Zn3 1 0.64548306 0.01660963 0.43185954 1.0 Zn Zn4 1 0.98339037 0.35451694 0.06814046 1.0 Zn Zn5 1 0.01660963 0.64548306 0.56814046 1.0 Zn Zn6 1 0.64548306 0.01660963 0.06814046 1.0 Zn Zn7 1 0.35451694 0.98339037 0.56814046 1.0 Zn Zn8 1 0.01660963 0.64548306 0.93185954 1.0 Zn Zn9 1 0.98339037 0.35451694 0.43185954 1.0 Zn Zn10 1 0.64893179 0.75128203 0.86607970 1.0 Zn Zn11 1 0.35106821 0.24871797 0.36607970 1.0 Zn Zn12 1 0.75128203 0.64893179 0.13392030 1.0 Zn Zn13 1 0.24871797 0.35106821 0.63392030 1.0 Zn Zn14 1 0.35106821 0.24871797 0.13392030 1.0 Zn Zn15 1 0.64893179 0.75128203 0.63392030 1.0 Zn Zn16 1 0.24871797 0.35106821 0.86607970 1.0 Zn Zn17 1 0.75128203 0.64893179 0.36607970 1.0 Zn Zn18 1 0.48305886 0.19013207 0.75000000 1.0 Zn Zn19 1 0.51694114 0.80986793 0.25000000 1.0 Zn Zn20 1 0.19013207 0.48305886 0.25000000 1.0 Zn Zn21 1 0.80986793 0.51694114 0.75000000 1.0 Zn Zn22 1 0.17646603 0.82353397 0.36068555 1.0 Zn Zn23 1 0.82353397 0.17646603 0.86068555 1.0 Zn Zn24 1 0.82353397 0.17646603 0.63931445 1.0 Zn Zn25 1 0.17646603 0.82353397 0.13931445 1.0 Zn Zn26 1 0.62235674 0.37764326 0.96936561 1.0 Zn Zn27 1 0.37764326 0.62235674 0.46936561 1.0 Zn Zn28 1 0.37764326 0.62235674 0.03063439 1.0 Zn Zn29 1 0.62235674 0.37764326 0.53063439 1.0 Zn Zn30 1 0.29307906 0.70692094 0.75000000 1.0 Zn Zn31 1 0.70692094 0.29307906 0.25000000 1.0 Zn Zn32 1 0.00000000 0.00000000 -0.00000000 1.0 Zn Zn33 1 0.00000000 0.00000000 0.50000000 1.0