data_[Cs6W2Cl4F12]
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
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9920]
_cell_length_b [8.4882]
_cell_length_c [5.0785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3W(ClF3)2]
_chemical_formula_sum '[Cs6 W2 Cl4 F12]'
_cell_volume [730.7436]
_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  1.0
  Cs  Cs1  2  0.0000  0.5000  0.0000  1.0
  W  W2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1934  0.5000  0.9783  1.0
  F  F4  8  0.0414  0.1682  0.2876  1.0
  F  F5  4  0.1030  0.0000  0.6903  1.0
]