data_[Na4S4O12F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6180]
_cell_length_b [8.2005]
_cell_length_c [4.8877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSO3F]
_chemical_formula_sum '[Na4 S4 O12 F4]'
_cell_volume [378.6624]
_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  0.0000  0.2225  0.0000  1.0
  S  S1  4  0.2117  0.5000  0.6865  1.0
  O  O2  8  0.1428  0.3495  0.7404  1.0
  O  O3  4  0.1346  0.0000  0.2221  1.0
  F  F4  4  0.1937  0.5000  0.3480  1.0
]