data_[Cs12I6Cl2F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  I  2.6600  1.4000  1.2733
  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 [8.6191]
_cell_length_b [14.8308]
_cell_length_c [8.9379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6I3ClF2]
_chemical_formula_sum '[Cs12 I6 Cl2 F4]'
_cell_volume [1081.2892]
_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  0.2435  0.1784  0.2039  1
  Cs  Cs1  4  0.2094  0.5000  0.1963  1
  I  I2  4  0.0000  0.1576  0.5000  1
  I  I3  2  0.0000  0.5000  0.5000  1
  Cl  Cl4  2  0.0000  0.0000  0.0000  1
  F  F5  4  0.0000  0.3315  0.0000  1
]