# generated using pymatgen data_Mg6BiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50790400 _cell_length_b 6.02080100 _cell_length_c 13.23713400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6BiB _chemical_formula_sum 'Mg12 Bi2 B2' _cell_volume 359.27160748 _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 Mg Mg0 1 0.00000000 0.75760400 0.06039200 1.0 Mg Mg1 1 0.00000000 0.24239600 0.06039200 1.0 Mg Mg2 1 0.00000000 0.00000000 0.32322800 1.0 Mg Mg3 1 0.50000000 0.27581000 0.39880000 1.0 Mg Mg4 1 0.50000000 0.72419000 0.39880000 1.0 Mg Mg5 1 0.50000000 0.00000000 0.18042500 1.0 Mg Mg6 1 0.00000000 0.25760400 0.56039200 1.0 Mg Mg7 1 0.00000000 0.74239600 0.56039200 1.0 Mg Mg8 1 0.00000000 0.50000000 0.82322800 1.0 Mg Mg9 1 0.50000000 0.77581000 0.89880000 1.0 Mg Mg10 1 0.50000000 0.22419000 0.89880000 1.0 Mg Mg11 1 0.50000000 0.50000000 0.68042500 1.0 Bi Bi12 1 0.50000000 0.50000000 0.16034500 1.0 Bi Bi13 1 0.50000000 0.00000000 0.66034500 1.0 B B14 1 0.00000000 0.50000000 0.41761800 1.0 B B15 1 0.00000000 0.00000000 0.91761800 1.0