data_[S2F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1065]
_cell_length_b [4.3272]
_cell_length_c [6.0244]
_cell_angle_alpha [73.7436]
_cell_angle_beta [85.8729]
_cell_angle_gamma [70.8305]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [S2F]
_chemical_formula_sum '[S2 F1]'
_cell_volume [73.4161]
_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
[
  S  S0  1  0.2525  0.6776  0.1438  1
  S  S1  1  0.3582  0.5280  0.8737  1
  F  F2  1  0.2338  0.8708  0.6414  1
]