data_[Cd4H32C16O32]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3608]
_cell_length_b [7.9077]
_cell_length_c [16.2652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CdH8(CO2)4]
_chemical_formula_sum '[Cd4 H32 C16 O32]'
_cell_volume [795.7987]
_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  0.3251  0.5022  0.6408  1
  H  H1  4  0.0163  0.7378  0.6613  1
  H  H2  4  0.0781  0.1472  0.9278  1
  H  H3  4  0.0798  0.0481  0.2738  1
  H  H4  4  0.1143  0.0204  0.6923  1
  H  H5  4  0.2381  0.6222  0.3018  1
  H  H6  4  0.3371  0.6637  0.4029  1
  H  H7  4  0.3684  0.6345  0.8094  1
  H  H8  4  0.4238  0.0706  0.3174  1
  C  C9  4  0.0383  0.0576  0.5233  1
  C  C10  4  0.1328  0.2011  0.5724  1
  C  C11  4  0.4285  0.7217  0.0519  1
  C  C12  4  0.4803  0.5664  0.0152  1
  O  O13  4  0.0054  0.1249  0.8677  1
  O  O14  4  0.0638  0.5839  0.2176  1
  O  O15  4  0.1646  0.2003  0.6521  1
  O  O16  4  0.1840  0.1751  0.0306  1
  O  O17  4  0.3373  0.6605  0.5045  1
  O  O18  4  0.3395  0.5213  0.7808  1
  O  O19  4  0.3693  0.6657  0.3453  1
  O  O20  4  0.4747  0.7317  0.1328  1
]