data_[Cs2Se4I2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Se  2.5500  1.1500  1.0133
  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 [11.9697]
_cell_length_b [5.5610]
_cell_length_c [8.0004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSe2IO8]
_chemical_formula_sum '[Cs2 Se4 I2 O16]'
_cell_volume [471.6622]
_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  0.5000  0.5000  1.0
  Se  Se1  4  0.1990  0.5000  0.1573  1.0
  I  I2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.1194  0.2625  0.2011  1.0
  O  O4  4  0.1558  0.0000  0.6724  1.0
  O  O5  4  0.1736  0.5000  0.9377  1.0
]