data_[H24C12S4N12O8F12]
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 [Pnma]
_cell_length_a [11.4218]
_cell_length_b [8.2466]
_cell_length_c [7.4482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [H6C3SN3O2F3]
_chemical_formula_sum '[H24 C12 S4 N12 O8 F12]'
_cell_volume [701.5508]
_cell_formula_units_Z [4]
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  8  0.1464  0.5048  0.3273  1
  H  H1  8  0.2264  0.6042  0.7594  1
  H  H2  8  0.2389  0.0872  0.4923  1
  C  C3  8  0.2023  0.0993  0.3569  1
  C  C4  4  0.0548  0.2500  0.8981  1
  S  S5  4  0.0009  0.7500  0.6130  1
  N  N6  4  0.0239  0.7500  0.3783  1
  N  N7  4  0.0709  0.2500  0.7029  1
  N  N8  4  0.1356  0.2500  0.3407  1
  O  O9  8  0.0524  0.5980  0.6645  1
  F  F10  8  0.1087  0.1169  0.9630  1
  F  F11  4  0.0576  0.7500  0.0466  1
]