data_[H1S4F1]
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 [P1]
_cell_length_a [4.7199]
_cell_length_b [5.8507]
_cell_length_c [6.3105]
_cell_angle_alpha [114.0881]
_cell_angle_beta [93.2560]
_cell_angle_gamma [94.2760]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HS4F]
_chemical_formula_sum '[H1 S4 F1]'
_cell_volume [157.9144]
_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  1  0.9486  0.1273  0.3889  1
  S  S1  1  0.2030  0.7933  0.6401  1
  S  S2  1  0.4404  0.9584  0.1755  1
  S  S3  1  0.4531  0.0546  0.8771  1
  S  S4  1  0.7030  0.2404  0.4286  1
  F  F5  1  0.2760  0.3149  0.9819  1
]