data_[Na4H8C4S4O16F12]
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
  C  2.5500  0.7000  0.3000
  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 [P2_1/c]
_cell_length_a [8.8786]
_cell_length_b [6.2077]
_cell_length_c [10.2425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaH2CSO4F3]
_chemical_formula_sum '[Na4 H8 C4 S4 O16 F12]'
_cell_volume [536.7223]
_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  0.0033  0.5043  0.7152  1
  H  H1  4  0.2552  0.6951  0.2351  1
  H  H2  4  0.2776  0.7259  0.8886  1
  C  C3  4  0.3750  0.1939  0.0979  1
  S  S4  4  0.1954  0.1399  0.5531  1
  O  O5  4  0.1128  0.2031  0.4125  1
  O  O6  4  0.1176  0.2089  0.6516  1
  O  O7  4  0.2003  0.7419  0.3000  1
  O  O8  4  0.2542  0.5804  0.0696  1
  F  F9  4  0.3340  0.5158  0.5788  1
  F  F10  4  0.4621  0.2224  0.2306  1
  F  F11  4  0.4649  0.2457  0.0169  1
]