data_[Cs10I2O12]
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 [7.1640]
_cell_length_b [12.4735]
_cell_length_c [6.8540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5IO6]
_chemical_formula_sum '[Cs10 I2 O12]'
_cell_volume [576.0289]
_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  0.0000  0.1608  0.5000  1.0
  Cs  Cs1  4  0.0000  0.3322  0.0000  1.0
  Cs  Cs2  2  0.0000  0.5000  0.5000  1.0
  I  I3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.1687  0.1098  0.1728  1.0
  O  O5  4  0.1614  0.0000  0.8210  1.0
]