data_[Cs6W2I4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  W  2.3600  1.3500  0.7667
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1157]
_cell_length_b [8.5900]
_cell_length_c [5.9318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3W(IF3)2]
_chemical_formula_sum '[Cs6 W2 I4 F12]'
_cell_volume [922.6809]
_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  0.2500  0.2500  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.0000  1
  W  W2  2  0.0000  0.0000  0.5000  1
  I  I3  4  0.2011  0.5000  0.9955  1
  F  F4  8  0.0036  0.1655  0.7213  1
  F  F5  4  0.1088  0.0000  0.4929  1
]