data_[Cs8I2O2F2]
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 [P2_1/m]
_cell_length_a [7.7984]
_cell_length_b [8.0206]
_cell_length_c [10.3682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs4IOF]
_chemical_formula_sum '[Cs8 I2 O2 F2]'
_cell_volume [628.3312]
_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  0.0023  0.5156  0.3114  1
  Cs  Cs1  2  0.3269  0.7500  0.0996  1
  Cs  Cs2  2  0.4770  0.2500  0.4412  1
  I  I3  2  0.2257  0.2500  0.0389  1
  O  O4  2  0.2627  0.7500  0.3379  1
  F  F5  2  0.1442  0.2500  0.5141  1
]