data_[Cd12H56S12N8O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [18.2631]
_cell_length_b [7.8229]
_cell_length_c [9.8601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cd3H14S3(NO8)2]
_chemical_formula_sum '[Cd12 H56 S12 N8 O64]'
_cell_volume [1408.7158]
_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
[
  Cd  Cd0  8  0.0916  0.4494  0.2079  1
  Cd  Cd1  4  0.0000  0.1879  0.9118  1
  H  H2  8  0.0888  0.1698  0.3761  1
  H  H3  8  0.1555  0.0318  0.2145  1
  H  H4  8  0.1729  0.2356  0.3788  1
  H  H5  8  0.1848  0.1674  0.6666  1
  H  H6  8  0.1879  0.0008  0.5557  1
  H  H7  8  0.2439  0.0017  0.6905  1
  H  H8  4  0.0000  0.1722  0.1735  1
  H  H9  4  0.0000  0.4724  0.4304  1
  S  S10  8  0.1817  0.2961  0.9210  1
  S  S11  4  0.0000  0.1921  0.5825  1
  N  N12  8  0.1926  0.0372  0.6555  1
  O  O13  8  0.0669  0.2978  0.5874  1
  O  O14  8  0.1277  0.1524  0.9203  1
  O  O15  8  0.1296  0.2087  0.3181  1
  O  O16  8  0.1600  0.4300  0.0180  1
  O  O17  8  0.1853  0.3737  0.7810  1
  O  O18  8  0.2460  0.2761  0.4557  1
  O  O19  4  0.0000  0.0629  0.6937  1
  O  O20  4  0.0000  0.1021  0.4470  1
  O  O21  4  0.0000  0.2822  0.1250  1
  O  O22  4  0.0000  0.4606  0.8469  1
]