data_[Na12B4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.6390]
_cell_length_b [14.4925]
_cell_length_c [7.4741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na3BCl6]
_chemical_formula_sum '[Na12 B4 Cl24]'
_cell_volume [1260.7163]
_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
[
  Na  Na0  8  0.2330  0.0933  0.6431  1
  Na  Na1  4  0.0000  0.4429  0.6755  1
  B  B2  4  0.0000  0.2016  0.8496  1
  Cl  Cl3  8  0.1307  0.2600  0.7541  1
  Cl  Cl4  8  0.1611  0.4851  0.4150  1
  Cl  Cl5  4  0.0000  0.0775  0.7716  1
  Cl  Cl6  4  0.0000  0.2085  0.0936  1
]