data_[Cs12Cl2F10]
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 [C2/m]
_cell_length_a [7.7198]
_cell_length_b [13.3600]
_cell_length_c [7.6758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6ClF5]
_chemical_formula_sum '[Cs12 Cl2 F10]'
_cell_volume [744.9026]
_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  8  0.2303  0.3189  0.7460  1.0
  Cs  Cs1  4  0.2342  0.5000  0.2714  1.0
  Cl  Cl2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0000  0.1634  0.5000  1.0
  F  F4  4  0.0000  0.3307  0.0000  1.0
  F  F5  2  0.0000  0.5000  0.5000  1.0
]