data_[Cs2Se2I4O16]
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 [11.3545]
_cell_length_b [5.7010]
_cell_length_c [7.2620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSe(IO4)2]
_chemical_formula_sum '[Cs2 Se2 I4 O16]'
_cell_volume [444.0892]
_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
  Se  Se1  2  0.0000  0.0000  0.0000  1
  I  I2  4  0.2164  0.5000  0.1536  1
  O  O3  8  0.1095  0.2441  0.1801  1
  O  O4  4  0.0951  0.0000  0.8252  1
  O  O5  4  0.1741  0.5000  0.8936  1
]