# generated using pymatgen data_Hf2Zr3BSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44983462 _cell_length_b 8.44983481 _cell_length_c 5.76860868 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.09056253 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Zr3BSb3 _chemical_formula_sum 'Hf4 Zr6 B2 Sb6' _cell_volume 356.36996304 _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 0.77018015 0.77018015 0.75000000 1.0 Hf Hf1 1 0.23115736 0.00108291 0.75000000 1.0 Hf Hf2 1 0.00108291 0.23115736 0.75000000 1.0 Hf Hf3 1 0.23005439 0.23005439 0.25000000 1.0 Zr Zr4 1 0.66651647 0.33331300 0.00002748 1.0 Zr Zr5 1 0.33331300 0.66651647 0.00002748 1.0 Zr Zr6 1 0.33331300 0.66651647 0.49997252 1.0 Zr Zr7 1 0.66651647 0.33331300 0.49997252 1.0 Zr Zr8 1 0.76577724 0.99979302 0.25000000 1.0 Zr Zr9 1 0.99979302 0.76577724 0.25000000 1.0 B B10 1 0.00116882 0.00116882 0.99787794 1.0 B B11 1 0.00116882 0.00116882 0.50212206 1.0 Sb Sb12 1 0.40000824 0.40000824 0.75000000 1.0 Sb Sb13 1 0.60112370 0.00011986 0.75000000 1.0 Sb Sb14 1 0.00011986 0.60112370 0.75000000 1.0 Sb Sb15 1 0.59985074 0.59985074 0.25000000 1.0 Sb Sb16 1 0.39810464 0.00075017 0.25000000 1.0 Sb Sb17 1 0.00075017 0.39810464 0.25000000 1.0