data_[Cd6H48C96N8O32]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [28.2214]
_cell_length_b [9.8715]
_cell_length_c [10.1633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3H24C48(NO4)4]
_chemical_formula_sum '[Cd6 H48 C96 N8 O32]'
_cell_volume [2711.9532]
_cell_formula_units_Z [2]
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  0.1013  0.5000  0.8059  1
  Cd  Cd1  2  0.0000  0.5000  0.5000  1
  H  H2  8  0.0395  0.2214  0.3179  1
  H  H3  8  0.1158  0.2050  0.3133  1
  H  H4  8  0.1815  0.2257  0.6940  1
  H  H5  8  0.2032  0.2056  0.4368  1
  H  H6  4  0.0963  0.0000  0.7791  1
  H  H7  4  0.0986  0.5000  0.2458  1
  H  H8  4  0.2195  0.5000  0.6166  1
  H  H9  4  0.2471  0.5000  0.2166  1
  C  C10  8  0.0209  0.1237  0.3029  1
  C  C11  8  0.0301  0.1225  0.7281  1
  C  C12  8  0.0576  0.2523  0.7446  1
  C  C13  8  0.1259  0.1295  0.3964  1
  C  C14  8  0.1626  0.1899  0.5903  1
  C  C15  8  0.1815  0.1282  0.4726  1
  C  C16  4  0.0476  0.0000  0.3170  1
  C  C17  4  0.0560  0.0000  0.7481  1
  C  C18  4  0.0998  0.0000  0.3595  1
  C  C19  4  0.1199  0.5000  0.5233  1
  C  C20  4  0.1382  0.5000  0.2973  1
  C  C21  4  0.1507  0.5000  0.0671  1
  C  C22  4  0.1556  0.5000  0.4393  1
  C  C23  4  0.1715  0.5000  0.2192  1
  C  C24  4  0.2065  0.5000  0.5045  1
  C  C25  4  0.2073  0.0000  0.5017  1
  C  C26  4  0.2223  0.5000  0.2817  1
  C  C27  4  0.2398  0.5000  0.4256  1
  N  N28  8  0.1164  0.1923  0.5267  1
  O  O29  8  0.0329  0.3584  0.6917  1
  O  O30  8  0.1025  0.2535  0.8138  1
  O  O31  4  0.0743  0.5000  0.4583  1
  O  O32  4  0.1033  0.5000  0.0248  1
  O  O33  4  0.1407  0.5000  0.6515  1
  O  O34  4  0.1794  0.5000  0.9922  1
]