# generated using pymatgen data_LiHf6Zn22Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61903908 _cell_length_b 8.61903868 _cell_length_c 8.61903957 _cell_angle_alpha 60.00000405 _cell_angle_beta 60.00000559 _cell_angle_gamma 60.00000218 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHf6Zn22Si _chemical_formula_sum 'Li1 Hf6 Zn22 Si1' _cell_volume 452.75326939 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf1 1 0.70922911 0.29077089 0.29077089 1.0 Hf Hf2 1 0.29077089 0.70922911 0.70922911 1.0 Hf Hf3 1 0.29077089 0.70922911 0.29077089 1.0 Hf Hf4 1 0.70922911 0.29077089 0.70922911 1.0 Hf Hf5 1 0.29077089 0.29077089 0.70922911 1.0 Hf Hf6 1 0.70922911 0.70922911 0.29077089 1.0 Zn Zn7 1 0.12087306 0.12087306 0.12087306 1.0 Zn Zn8 1 0.87912694 0.87912694 0.87912694 1.0 Zn Zn9 1 0.12087306 0.12087306 0.63738283 1.0 Zn Zn10 1 0.12087306 0.63738283 0.12087306 1.0 Zn Zn11 1 0.87912694 0.87912694 0.36261717 1.0 Zn Zn12 1 0.87912694 0.36261717 0.87912694 1.0 Zn Zn13 1 0.63738283 0.12087306 0.12087306 1.0 Zn Zn14 1 0.36261717 0.87912694 0.87912694 1.0 Zn Zn15 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn16 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn17 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn18 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn19 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn20 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn21 1 0.33389107 0.33389107 0.33389107 1.0 Zn Zn22 1 0.66610893 0.66610893 0.66610893 1.0 Zn Zn23 1 0.33389107 0.33389107 0.99832780 1.0 Zn Zn24 1 0.33389107 0.99832780 0.33389107 1.0 Zn Zn25 1 0.66610893 0.66610893 0.00167220 1.0 Zn Zn26 1 0.66610893 0.00167220 0.66610893 1.0 Zn Zn27 1 0.99832780 0.33389107 0.33389107 1.0 Zn Zn28 1 0.00167220 0.66610893 0.66610893 1.0 Si Si29 1 0.50000000 0.50000000 0.50000000 1.0