data_[Cd4I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.0217]
_cell_length_b [5.0217]
_cell_length_c [9.9641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Cd2IO6]
_chemical_formula_sum '[Cd4 I2 O12]'
_cell_volume [251.2664]
_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  0.0000  0.0000  0.3348  1.0
  I  I1  2  0.0000  0.0000  0.0000  1.0
  O  O2  8  0.1809  0.8191  0.1410  1.0
  O  O3  4  0.2311  0.7689  0.5000  1.0
]