data_[Cd2C4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [5.9061]
_cell_length_b [5.4119]
_cell_length_c [6.5786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd(CO2)2]
_chemical_formula_sum '[Cd2 C4 O8]'
_cell_volume [176.6459]
_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  2  0.0000  0.0000  0.0000  1.0
  C  C1  4  0.4557  0.1176  0.9178  1.0
  O  O2  4  0.2139  0.1928  0.8248  1.0
  O  O3  4  0.3744  0.7213  0.6138  1.0
]