data_[Cd4Cu8I4O24]
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 [C2/c]
_cell_length_a [9.6621]
_cell_length_b [9.5469]
_cell_length_c [5.6252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CdCu2IO6]
_chemical_formula_sum '[Cd4 Cu8 I4 O24]'
_cell_volume [516.0368]
_cell_formula_units_Z [4]
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  0.0868  0.7500  1
  Cu  Cu1  8  0.1773  0.4055  0.8025  1
  I  I2  4  0.0000  0.2747  0.2500  1
  O  O3  8  0.1042  0.2658  0.5626  1
  O  O4  8  0.1171  0.1171  0.1357  1
  O  O5  8  0.1267  0.4148  0.1369  1
]