data_[Cs8Cl8]
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
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [11.8357]
_cell_length_b [11.8357]
_cell_length_c [7.0227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CsCl]
_chemical_formula_sum '[Cs8 Cl8]'
_cell_volume [983.7667]
_cell_formula_units_Z [8]
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  0.1472  0.3528  0.0000  1.0
  Cl  Cl1  8  0.1466  0.3534  0.5000  1.0
]