data_[H4S2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0493]
_cell_length_b [5.3363]
_cell_length_c [5.3167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H2SF8]
_chemical_formula_sum '[H4 S2 F16]'
_cell_volume [285.0085]
_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
[
  H  H0  4  0.2465  0.0000  0.4391  1.0
  S  S1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0343  0.2105  0.8005  1.0
  F  F3  4  0.1528  0.0000  0.1001  1.0
  F  F4  4  0.2009  0.5000  0.4111  1.0
]