# generated using pymatgen data_Mg6AlB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95609600 _cell_length_b 5.98635100 _cell_length_c 10.46160100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6AlB _chemical_formula_sum 'Mg12 Al2 B2' _cell_volume 310.38451033 _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 0.26009300 0.08897200 1.0 Mg Mg1 1 0.00000000 0.73990700 0.08897200 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33372800 1.0 Mg Mg3 1 0.50000000 0.74618400 0.41261100 1.0 Mg Mg4 1 0.50000000 0.25381600 0.41261100 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16606200 1.0 Mg Mg6 1 0.00000000 0.76009300 0.58897200 1.0 Mg Mg7 1 0.00000000 0.23990700 0.58897200 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83372800 1.0 Mg Mg9 1 0.50000000 0.24618400 0.91261100 1.0 Mg Mg10 1 0.50000000 0.75381600 0.91261100 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66606200 1.0 Al Al12 1 0.00000000 0.50000000 0.33169700 1.0 Al Al13 1 0.00000000 0.00000000 0.83169700 1.0 B B14 1 0.50000000 0.50000000 0.16534700 1.0 B B15 1 0.50000000 0.00000000 0.66534700 1.0