data_[H6C2S2N2O2F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8046]
_cell_length_b [7.1052]
_cell_length_c [7.7753]
_cell_angle_alpha [73.6336]
_cell_angle_beta [83.3970]
_cell_angle_gamma [85.5436]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [H3CSNOF2]
_chemical_formula_sum '[H6 C2 S2 N2 O2 F4]'
_cell_volume [305.2961]
_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  2  0.2504  0.3947  0.5119  1
  H  H1  2  0.3653  0.4773  0.2822  1
  H  H2  2  0.4470  0.2370  0.4173  1
  C  C3  2  0.3045  0.3488  0.3895  1
  S  S4  2  0.0925  0.1712  0.2016  1
  N  N5  2  0.1010  0.2724  0.3415  1
  O  O6  2  0.1224  0.8898  0.8309  1
  F  F7  2  0.2183  0.2877  0.0094  1
  F  F8  2  0.2760  0.9871  0.2193  1
]