data_[Na4S2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6340]
_cell_length_b [6.9973]
_cell_length_c [11.5297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2SCl6]
_chemical_formula_sum '[Na4 S2 Cl12]'
_cell_volume [444.0580]
_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  4  0.2103  0.5903  0.2392  1
  S  S1  2  0.5000  0.0000  0.5000  1
  Cl  Cl2  4  0.1602  0.6809  0.9452  1
  Cl  Cl3  4  0.2741  0.2179  0.9463  1
  Cl  Cl4  4  0.3805  0.5258  0.7673  1
]