data_[Cs4Cl4F8]
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 [Cm]
_cell_length_a [9.4064]
_cell_length_b [10.2958]
_cell_length_c [4.2598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsClF2]
_chemical_formula_sum '[Cs4 Cl4 F8]'
_cell_volume [412.4756]
_cell_formula_units_Z [4]
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  0.2724  0.2210  0.0040  1.0
  Cl  Cl1  2  0.0111  0.0000  0.3085  1.0
  Cl  Cl2  2  0.0355  0.5000  0.5308  1.0
  F  F3  4  0.0341  0.3163  0.5308  1.0
  F  F4  2  0.1926  0.0000  0.5205  1.0
  F  F5  2  0.3389  0.5000  0.0905  1.0
]