data_[Ba4Na4B4O12]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6917]
_cell_length_b [5.6343]
_cell_length_c [6.2695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNaBO3]
_chemical_formula_sum '[Ba4 Na4 B4 O12]'
_cell_volume [338.1304]
_cell_formula_units_Z [4]
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  0.1674  0.0000  0.2423  1.0
  Na  Na1  2  0.0000  0.5000  0.0000  1.0
  Na  Na2  2  0.0000  0.5000  0.5000  1.0
  B  B3  4  0.1669  0.0000  0.7512  1.0
  O  O4  8  0.1022  0.2134  0.7907  1.0
  O  O5  4  0.2041  0.5000  0.3226  1.0
]