data_[Na2S4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6646]
_cell_length_b [4.9658]
_cell_length_c [11.4605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na(SO3)2]
_chemical_formula_sum '[Na2 S4 O12]'
_cell_volume [281.6775]
_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  0.0000  0.0000  0.0000  1
  S  S1  4  0.3441  0.1936  0.3345  1
  O  O2  4  0.1131  0.2363  0.2014  1
  O  O3  4  0.3112  0.2306  0.9491  1
  O  O4  4  0.3858  0.7275  0.1506  1
]