data_[Cs8Cl1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [11.3954]
_cell_length_b [11.3954]
_cell_length_c [4.5066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Cs8ClF6]
_chemical_formula_sum '[Cs8 Cl1 F6]'
_cell_volume [506.7988]
_cell_formula_units_Z [1]
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  6  0.0383  0.6939  0.7443  1
  Cs  Cs1  2  0.3333  0.6667  0.2448  1
  Cl  Cl2  1  0.0000  0.0000  0.5000  1
  F  F3  6  0.1366  0.4782  0.7524  1
]