data_[Cd2H4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.2376]
_cell_length_b [3.5384]
_cell_length_c [4.8052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cd(HO)2]
_chemical_formula_sum '[Cd2 H4 O4]'
_cell_volume [105.6341]
_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  0.0228  0.0000  1
  H  H1  4  0.2075  0.6184  0.4305  1
  O  O2  4  0.1934  0.5282  0.2359  1
]