data_[Ba9Na3Mg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [9.0731]
_cell_length_b [9.0731]
_cell_length_c [9.0731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [Ba3NaMg]
_chemical_formula_sum '[Ba9 Na3 Mg3]'
_cell_volume [746.9115]
_cell_formula_units_Z [3]
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  8  0.2286  0.2286  0.2286  1
  Ba  Ba1  1  0.5000  0.5000  0.5000  1
  Na  Na2  3  0.0000  0.5000  0.5000  1
  Mg  Mg3  3  0.0000  0.0000  0.5000  1
]