# generated using pymatgen data_Hf3ZnSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72898851 _cell_length_b 8.80661844 _cell_length_c 9.62507992 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3ZnSn2 _chemical_formula_sum 'Hf12 Zn4 Sn8' _cell_volume 485.61430988 _cell_formula_units_Z 4 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 0.00000000 0.75000000 0.11546185 1.0 Hf Hf1 1 0.50000000 0.25000000 0.88453815 1.0 Hf Hf2 1 0.00000000 0.25000000 0.88453815 1.0 Hf Hf3 1 0.50000000 0.75000000 0.11546185 1.0 Hf Hf4 1 0.75000000 0.47676718 0.62370232 1.0 Hf Hf5 1 0.25000000 0.52323282 0.37629768 1.0 Hf Hf6 1 0.75000000 0.97676718 0.37629768 1.0 Hf Hf7 1 0.25000000 0.02323282 0.62370232 1.0 Hf Hf8 1 0.75000000 0.36575675 0.18791049 1.0 Hf Hf9 1 0.25000000 0.63424325 0.81208951 1.0 Hf Hf10 1 0.75000000 0.86575675 0.81208951 1.0 Hf Hf11 1 0.25000000 0.13424325 0.18791049 1.0 Zn Zn12 1 0.00000000 0.75000000 0.58155554 1.0 Zn Zn13 1 0.50000000 0.25000000 0.41844446 1.0 Zn Zn14 1 0.00000000 0.25000000 0.41844446 1.0 Zn Zn15 1 0.50000000 0.75000000 0.58155554 1.0 Sn Sn16 1 0.75000000 0.04880185 0.08142037 1.0 Sn Sn17 1 0.25000000 0.95119815 0.91857963 1.0 Sn Sn18 1 0.75000000 0.54880185 0.91857963 1.0 Sn Sn19 1 0.25000000 0.45119815 0.08142037 1.0 Sn Sn20 1 0.75000000 0.13353887 0.64072300 1.0 Sn Sn21 1 0.25000000 0.86646113 0.35927700 1.0 Sn Sn22 1 0.75000000 0.63353887 0.35927700 1.0 Sn Sn23 1 0.25000000 0.36646113 0.64072300 1.0