data_[Cs6Na4I4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.7261]
_cell_length_b [5.7261]
_cell_length_c [28.1564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs3Na2I2Cl3]
_chemical_formula_sum '[Cs6 Na4 I4 Cl6]'
_cell_volume [923.2093]
_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  0.0000  0.0000  0.3753  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Na  Na2  4  0.0000  0.0000  0.2100  1
  I  I3  4  0.0000  0.5000  0.2500  1
  Cl  Cl4  4  0.0000  0.0000  0.1171  1
  Cl  Cl5  2  0.0000  0.0000  0.5000  1
]