data_[Na8H4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [18.4159]
_cell_length_b [5.5868]
_cell_length_c [5.5628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2HCl3]
_chemical_formula_sum '[Na8 H4 Cl12]'
_cell_volume [572.3331]
_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  0.1769  0.2520  0.5367  1.0
  H  H1  4  0.0000  0.0556  0.3599  1.0
  Cl  Cl2  8  0.1695  0.2490  0.0362  1.0
  Cl  Cl3  4  0.0000  0.2102  0.5363  1.0
]