data_[Cs2In2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3578]
_cell_length_b [6.6696]
_cell_length_c [7.1319]
_cell_angle_alpha [106.7962]
_cell_angle_beta [96.9217]
_cell_angle_gamma [105.2631]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsInF3]
_chemical_formula_sum '[Cs2 In2 F6]'
_cell_volume [229.9806]
_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  0.3872  0.1648  0.9689  1.0
  Cs  Cs1  1  0.6888  0.6227  0.7103  1.0
  In  In2  1  0.2147  0.6843  0.2407  1.0
  In  In3  1  0.9514  0.1396  0.4200  1.0
  F  F4  1  0.1785  0.7889  0.5395  1.0
  F  F5  1  0.2158  0.5740  0.9345  1.0
  F  F6  1  0.4974  0.0091  0.3043  1.0
  F  F7  1  0.5374  0.5771  0.3046  1.0
  F  F8  1  0.9552  0.8541  0.1482  1.0
  F  F9  1  0.9706  0.3509  0.1924  1.0
]