data_[Cd4Cu2I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2809]
_cell_length_b [5.4660]
_cell_length_c [10.3553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd2CuIO6]
_chemical_formula_sum '[Cd4 Cu2 I2 O12]'
_cell_volume [257.0410]
_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  0.2211  0.0426  0.2526  1.0
  Cu  Cu1  2  0.5000  0.0000  0.0000  1.0
  I  I2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1280  0.2225  0.9180  1.0
  O  O4  4  0.2262  0.7187  0.9432  1.0
  O  O5  4  0.3338  0.0612  0.7024  1.0
]