# generated using pymatgen data_Mg6SnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98800600 _cell_length_b 8.51374900 _cell_length_c 9.70724100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6SnB _chemical_formula_sum 'Mg12 Sn2 B2' _cell_volume 329.58880914 _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 0.50000000 0.75383100 0.85798800 1.0 Mg Mg1 1 0.50000000 0.24616900 0.85798800 1.0 Mg Mg2 1 0.00000000 0.67549800 0.11796200 1.0 Mg Mg3 1 0.00000000 0.32450200 0.11796200 1.0 Mg Mg4 1 0.00000000 0.50000000 0.83599200 1.0 Mg Mg5 1 0.00000000 0.50000000 0.37821300 1.0 Mg Mg6 1 0.50000000 0.25383100 0.35798800 1.0 Mg Mg7 1 0.50000000 0.74616900 0.35798800 1.0 Mg Mg8 1 0.00000000 0.17549800 0.61796200 1.0 Mg Mg9 1 0.00000000 0.82450200 0.61796200 1.0 Mg Mg10 1 0.00000000 0.00000000 0.33599200 1.0 Mg Mg11 1 0.00000000 0.00000000 0.87821300 1.0 Sn Sn12 1 0.50000000 0.50000000 0.60986000 1.0 Sn Sn13 1 0.50000000 0.00000000 0.10986000 1.0 B B14 1 0.50000000 0.50000000 0.22403100 1.0 B B15 1 0.50000000 0.00000000 0.72403100 1.0