data_[Cs4I4O8F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [8.4373]
_cell_length_b [6.2819]
_cell_length_c [8.5392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [CsI(OF)2]
_chemical_formula_sum '[Cs4 I4 O8 F8]'
_cell_volume [452.5961]
_cell_formula_units_Z [4]
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  0.2107  0.5330  0.5225  1
  I  I1  4  0.0067  0.9628  0.7938  1
  O  O2  4  0.0274  0.1045  0.4966  1
  O  O3  4  0.2111  0.8819  0.7745  1
  F  F4  4  0.0632  0.3388  0.2284  1
  F  F5  4  0.0696  0.2669  0.8471  1
]