data_[C16S8N8Cl16F40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.8474]
_cell_length_b [14.3571]
_cell_length_c [17.3639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [C2SNCl2F5]
_chemical_formula_sum '[C16 S8 N8 Cl16 F40]'
_cell_volume [1199.9567]
_cell_formula_units_Z [8]
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
[
  C  C0  4  0.0789  0.0525  0.8964  1
  C  C1  4  0.1172  0.1502  0.8630  1
  C  C2  4  0.4057  0.2213  0.6160  1
  C  C3  4  0.4494  0.1751  0.0961  1
  S  S4  4  0.2398  0.7191  0.1798  1
  S  S5  4  0.2542  0.5861  0.8309  1
  N  N6  4  0.1349  0.6816  0.6745  1
  N  N7  4  0.3510  0.6850  0.8454  1
  Cl  Cl8  4  0.0840  0.1350  0.2895  1
  Cl  Cl9  4  0.2126  0.5196  0.9371  1
  Cl  Cl10  4  0.2534  0.6649  0.0696  1
  Cl  Cl11  4  0.4161  0.0047  0.6987  1
  F  F12  4  0.0034  0.0075  0.1619  1
  F  F13  4  0.1197  0.5560  0.5557  1
  F  F14  4  0.1940  0.2189  0.6625  1
  F  F15  4  0.2092  0.1374  0.0640  1
  F  F16  4  0.2314  0.2070  0.9218  1
  F  F17  4  0.3096  0.1744  0.5491  1
  F  F18  4  0.3127  0.1436  0.8117  1
  F  F19  4  0.3190  0.0219  0.9349  1
  F  F20  4  0.3569  0.6677  0.4531  1
  F  F21  4  0.4636  0.6273  0.3382  1
]