data_[Cs10I4O2F2]
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]
_cell_length_a [4.8383]
_cell_length_b [15.6157]
_cell_length_c [11.4403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Cs5I2OF]
_chemical_formula_sum '[Cs10 I4 O2 F2]'
_cell_volume [844.8299]
_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  0.0061  0.1989  0.0124  1
  Cs  Cs1  2  0.1647  0.5007  0.3284  1
  Cs  Cs2  2  0.1933  0.1104  0.3904  1
  Cs  Cs3  2  0.2199  0.8632  0.4377  1
  Cs  Cs4  2  0.4105  0.4577  0.8228  1
  I  I5  2  0.3702  0.1986  0.7413  1
  I  I6  2  0.3878  0.8130  0.7761  1
  O  O7  2  0.2823  0.4826  0.5701  1
  F  F8  2  0.0731  0.0511  0.1439  1
]