data_[Ba6Na2O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6395]
_cell_length_b [10.6298]
_cell_length_c [9.6785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba3NaO]
_chemical_formula_sum '[Ba6 Na2 O2]'
_cell_volume [477.3096]
_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  4  0.5000  0.1975  0.2879  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0190  1.0
  Na  Na2  2  0.0000  0.0000  0.5913  1.0
  O  O3  2  0.5000  0.0000  0.1417  1.0
]