# generated using pymatgen data_HfZn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76522210 _cell_length_b 5.76521193 _cell_length_c 4.33891828 _cell_angle_alpha 90.00001414 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99940152 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZn3 _chemical_formula_sum 'Hf2 Zn6' _cell_volume 124.89528427 _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 0.33333475 0.66666790 0.74999998 1.0 Hf Hf1 1 0.66666625 0.33333210 0.25000002 1.0 Zn Zn2 1 0.15891459 0.31782663 0.24999998 1.0 Zn Zn3 1 0.68217458 0.84108537 0.25000012 1.0 Zn Zn4 1 0.15891127 0.84108835 0.25000008 1.0 Zn Zn5 1 0.84108641 0.68217337 0.75000002 1.0 Zn Zn6 1 0.31782642 0.15891463 0.74999988 1.0 Zn Zn7 1 0.84108973 0.15891165 0.74999992 1.0