# generated using pymatgen data_HfB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21148411 _cell_length_b 5.21148472 _cell_length_c 5.21148346 _cell_angle_alpha 59.99999519 _cell_angle_beta 59.99999128 _cell_angle_gamma 59.99999077 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfB12 _chemical_formula_sum 'Hf1 B12' _cell_volume 100.08504247 _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 Hf Hf0 1 -0.00000000 0.00000000 0.00000000 1.0 B B1 1 0.83956958 0.50000000 0.50000000 1.0 B B2 1 0.50000000 0.50000000 0.83956958 1.0 B B3 1 0.83956958 0.16043042 0.50000000 1.0 B B4 1 0.50000000 0.83956958 0.16043042 1.0 B B5 1 0.50000000 0.16043042 0.83956958 1.0 B B6 1 0.50000000 0.83956958 0.50000000 1.0 B B7 1 0.83956958 0.50000000 0.16043042 1.0 B B8 1 0.16043042 0.83956958 0.50000000 1.0 B B9 1 0.50000000 0.16043042 0.50000000 1.0 B B10 1 0.16043042 0.50000000 0.83956958 1.0 B B11 1 0.50000000 0.50000000 0.16043042 1.0 B B12 1 0.16043042 0.50000000 0.50000000 1.0