data_[H2S6F1]
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 [P-1]
_cell_length_a [4.9314]
_cell_length_b [5.3946]
_cell_length_c [8.9233]
_cell_angle_alpha [90.0188]
_cell_angle_beta [105.5261]
_cell_angle_gamma [105.3274]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [H2S6F]
_chemical_formula_sum '[H2 S6 F1]'
_cell_volume [219.9416]
_cell_formula_units_Z [1]
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  2  0.2339  0.1711  0.0791  1
  S  S1  2  0.2720  0.8753  0.7211  1
  S  S2  2  0.2846  0.8897  0.4935  1
  S  S3  2  0.4979  0.3706  0.1779  1
  F  F4  1  0.0000  0.0000  0.0000  1
]