# generated using pymatgen data_BaNaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38615000 _cell_length_b 6.68111300 _cell_length_c 12.86992900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaMg6 _chemical_formula_sum 'Ba2 Na2 Mg12' _cell_volume 463.13053125 _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 Ba Ba0 1 0.50000000 0.50000000 0.17770200 1.0 Ba Ba1 1 0.50000000 0.00000000 0.67770200 1.0 Na Na2 1 0.50000000 0.00000000 0.16871500 1.0 Na Na3 1 0.50000000 0.50000000 0.66871500 1.0 Mg Mg4 1 0.50000000 0.25338300 0.42444600 1.0 Mg Mg5 1 0.50000000 0.74661700 0.42444600 1.0 Mg Mg6 1 0.00000000 0.75821400 0.06153000 1.0 Mg Mg7 1 0.00000000 0.24178600 0.06153000 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33244700 1.0 Mg Mg9 1 0.00000000 0.50000000 0.34918000 1.0 Mg Mg10 1 0.50000000 0.75338300 0.92444600 1.0 Mg Mg11 1 0.50000000 0.24661700 0.92444600 1.0 Mg Mg12 1 0.00000000 0.25821400 0.56153000 1.0 Mg Mg13 1 0.00000000 0.74178600 0.56153000 1.0 Mg Mg14 1 0.00000000 0.50000000 0.83244700 1.0 Mg Mg15 1 0.00000000 0.00000000 0.84918000 1.0