data_[Cd3I6O18]
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 [R3]
_cell_length_a [5.6808]
_cell_length_b [5.6808]
_cell_length_c [17.7974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cd(IO3)2]
_chemical_formula_sum '[Cd3 I6 O18]'
_cell_volume [497.3959]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3258  1.0
  I  I1  3  0.0000  0.0000  0.5430  1.0
  I  I2  3  0.0000  0.0000  0.7911  1.0
  O  O3  9  0.0494  0.6869  0.2531  1.0
  O  O4  9  0.0782  0.3447  0.4155  1.0
]