data_[Cd8H112C40N24Cl24]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.5091]
_cell_length_b [15.7290]
_cell_length_c [12.0110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CdH14C5(NCl)3]
_chemical_formula_sum '[Cd8 H112 C40 N24 Cl24]'
_cell_volume [2598.2275]
_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
[
  Cd  Cd0  8  0.1089  0.2245  0.9204  1
  H  H1  8  0.0343  0.3877  0.4506  1
  H  H2  8  0.0891  0.4379  0.5996  1
  H  H3  8  0.0971  0.1441  0.4142  1
  H  H4  8  0.1062  0.4696  0.2833  1
  H  H5  8  0.1071  0.3595  0.3211  1
  H  H6  8  0.1097  0.4804  0.4765  1
  H  H7  8  0.1255  0.0116  0.5038  1
  H  H8  8  0.1264  0.2731  0.6244  1
  H  H9  8  0.1298  0.1487  0.2936  1
  H  H10  8  0.1479  0.0779  0.6360  1
  H  H11  8  0.1651  0.3928  0.2311  1
  H  H12  8  0.2138  0.0189  0.1566  1
  H  H13  8  0.2181  0.3341  0.7476  1
  H  H14  8  0.2482  0.2423  0.3346  1
  C  C15  8  0.0997  0.4217  0.5179  1
  C  C16  8  0.1495  0.4107  0.3085  1
  C  C17  8  0.1814  0.0356  0.5939  1
  C  C18  8  0.1967  0.3048  0.6552  1
  C  C19  8  0.2408  0.1153  0.4677  1
  N  N20  8  0.1497  0.1369  0.3861  1
  N  N21  8  0.1860  0.3680  0.5606  1
  N  N22  8  0.2414  0.4216  0.4224  1
  Cl  Cl23  8  0.0489  0.1954  0.0826  1
  Cl  Cl24  8  0.2316  0.3507  0.0448  1
  Cl  Cl25  4  0.0000  0.1138  0.7500  1
  Cl  Cl26  4  0.0000  0.3364  0.7500  1
]