data_[Cs4I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7696]
_cell_length_b [7.2525]
_cell_length_c [3.8720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2IO6]
_chemical_formula_sum '[Cs4 I2 O12]'
_cell_volume [329.8560]
_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
[
  Cs  Cs0  4  0.1765  0.5000  0.4629  1
  I  I1  2  0.0000  0.0000  0.0000  1
  O  O2  8  0.1170  0.1783  0.9440  1
  O  O3  4  0.0000  0.1685  0.5000  1
]