data_[Cs2O2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9576]
_cell_length_b [6.0923]
_cell_length_c [6.5159]
_cell_angle_alpha [62.3257]
_cell_angle_beta [88.8658]
_cell_angle_gamma [88.2725]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsOF3]
_chemical_formula_sum '[Cs2 O2 F6]'
_cell_volume [209.3470]
_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  1  0.4541  0.7760  0.8441  1.0
  Cs  Cs1  1  0.8711  0.0933  0.1991  1.0
  O  O2  1  0.1599  0.4488  0.4695  1.0
  O  O3  1  0.9712  0.4211  0.5349  1.0
  F  F4  1  0.3486  0.0468  0.3588  1.0
  F  F5  1  0.3852  0.1821  0.0579  1.0
  F  F6  1  0.4399  0.3154  0.7646  1.0
  F  F7  1  0.7835  0.5664  0.2596  1.0
  F  F8  1  0.9188  0.6048  0.7026  1.0
  F  F9  1  0.9253  0.0710  0.7126  1.0
]