# generated using pymatgen data_HfMg6B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80102900 _cell_length_b 5.64403300 _cell_length_c 11.45862800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMg6B _chemical_formula_sum 'Hf2 Mg12 B2' _cell_volume 310.49634631 _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 0.50000000 0.50000000 0.18316200 1.0 Hf Hf1 1 0.50000000 0.00000000 0.68316200 1.0 Mg Mg2 1 0.50000000 0.24980800 0.43365000 1.0 Mg Mg3 1 0.50000000 0.75019200 0.43365000 1.0 Mg Mg4 1 0.00000000 0.75014900 0.07817700 1.0 Mg Mg5 1 0.00000000 0.24985100 0.07817700 1.0 Mg Mg6 1 0.00000000 0.00000000 0.30294800 1.0 Mg Mg7 1 0.00000000 0.50000000 0.33632200 1.0 Mg Mg8 1 0.50000000 0.74980800 0.93365000 1.0 Mg Mg9 1 0.50000000 0.25019200 0.93365000 1.0 Mg Mg10 1 0.00000000 0.25014900 0.57817700 1.0 Mg Mg11 1 0.00000000 0.74985100 0.57817700 1.0 Mg Mg12 1 0.00000000 0.50000000 0.80294800 1.0 Mg Mg13 1 0.00000000 0.00000000 0.83632200 1.0 B B14 1 0.50000000 0.00000000 0.15390900 1.0 B B15 1 0.50000000 0.50000000 0.65390900 1.0