data_[Na4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.6226]
_cell_length_b [5.5098]
_cell_length_c [7.8459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaCl3]
_chemical_formula_sum '[Na4 Cl12]'
_cell_volume [372.7508]
_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  4  0.1711  0.2500  0.9643  1
  Cl  Cl1  4  0.0736  0.7500  0.7204  1
  Cl  Cl2  4  0.1245  0.2500  0.4491  1
  Cl  Cl3  4  0.1509  0.7500  0.1443  1
]