data_[Na2B2Cl6]
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 [P-1]
_cell_length_a [6.4019]
_cell_length_b [6.5355]
_cell_length_c [7.2239]
_cell_angle_alpha [92.0943]
_cell_angle_beta [113.9971]
_cell_angle_gamma [118.9196]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaBCl3]
_chemical_formula_sum '[Na2 B2 Cl6]'
_cell_volume [231.1831]
_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
[
  Na  Na0  2  0.0816  0.2672  0.7567  1
  B  B1  2  0.3712  0.4539  0.3721  1
  Cl  Cl2  2  0.0207  0.2286  0.3405  1
  Cl  Cl3  2  0.3648  0.7180  0.2787  1
  Cl  Cl4  2  0.4145  0.2927  0.1776  1
]