data_[Cs2Mo2I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mo  2.1600  1.4500  0.7750
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.4058]
_cell_length_b [10.4113]
_cell_length_c [6.5268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsMoIO6]
_chemical_formula_sum '[Cs2 Mo2 I2 O12]'
_cell_volume [367.2606]
_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  2  0.0000  0.0087  0.5000  1
  Mo  Mo1  2  0.0000  0.3455  0.0000  1
  I  I2  2  0.0000  0.6846  0.0000  1
  O  O3  4  0.0338  0.4619  0.8008  1
  O  O4  4  0.1682  0.8059  0.8328  1
  O  O5  4  0.1927  0.2128  0.8357  1
]