data_[Cd4H56C20N4Cl12O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [16.6797]
_cell_length_b [8.0759]
_cell_length_c [7.7515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [CdH14C5NCl3O]
_chemical_formula_sum '[Cd4 H56 C20 N4 Cl12 O4]'
_cell_volume [1044.1608]
_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  4  0.0105  0.9842  0.3946  1
  H  H1  4  0.0183  0.4055  0.4089  1
  H  H2  4  0.0563  0.5213  0.7646  1
  H  H3  4  0.0750  0.4202  0.0620  1
  H  H4  4  0.0762  0.7703  0.6994  1
  H  H5  4  0.0771  0.6270  0.1449  1
  H  H6  4  0.1818  0.3434  0.8518  1
  H  H7  4  0.1918  0.7846  0.1391  1
  H  H8  4  0.1919  0.5404  0.7456  1
  H  H9  4  0.1927  0.7911  0.9100  1
  H  H10  4  0.1937  0.5230  0.2883  1
  H  H11  4  0.1950  0.3323  0.1671  1
  H  H12  4  0.2185  0.9678  0.6650  1
  H  H13  4  0.2196  0.2168  0.5251  1
  H  H14  4  0.2248  0.9550  0.3628  1
  C  C15  4  0.0457  0.6042  0.8750  1
  C  C16  4  0.0916  0.5491  0.0331  1
  C  C17  4  0.2097  0.4662  0.8576  1
  C  C18  4  0.2148  0.7245  0.0226  1
  C  C19  4  0.2159  0.4609  0.1719  1
  N  N20  4  0.1825  0.5510  0.0184  1
  Cl  Cl21  4  0.0767  0.1588  0.6486  1
  Cl  Cl22  4  0.0995  0.0904  0.1309  1
  Cl  Cl23  4  0.1038  0.7332  0.4561  1
  O  O24  4  0.0651  0.7707  0.8267  1
]