data_[C24S12N24Cl8]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9095]
_cell_length_b [16.0346]
_cell_length_c [13.5624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [C6S3(N3Cl)2]
_chemical_formula_sum '[C24 S12 N24 Cl8]'
_cell_volume [1546.0730]
_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
[
  C  C0  4  0.0531  0.7223  0.1446  1
  C  C1  4  0.1201  0.2310  0.9199  1
  C  C2  4  0.3247  0.6617  0.1952  1
  C  C3  4  0.3440  0.5990  0.7519  1
  C  C4  4  0.3952  0.5965  0.6668  1
  C  C5  4  0.4896  0.6379  0.1837  1
  S  S6  4  0.1117  0.6827  0.2751  1
  S  S7  4  0.3432  0.5790  0.8696  1
  S  S8  4  0.4143  0.1521  0.9334  1
  N  N9  4  0.1631  0.5461  0.8720  1
  N  N10  4  0.1856  0.7044  0.1129  1
  N  N11  4  0.2182  0.2045  0.8718  1
  N  N12  4  0.3105  0.6440  0.2874  1
  N  N13  4  0.3750  0.1207  0.3262  1
  N  N14  4  0.4558  0.1356  0.8271  1
  Cl  Cl15  4  0.1810  0.2168  0.0587  1
  Cl  Cl16  4  0.2299  0.5477  0.5451  1
]