data_[Cs4Sn4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3946]
_cell_length_b [19.7314]
_cell_length_c [7.7804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsSnCl4]
_chemical_formula_sum '[Cs4 Sn4 Cl16]'
_cell_volume [828.1667]
_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  0.0000  0.3732  0.7500  1.0
  Sn  Sn1  4  0.0000  0.0967  0.7500  1.0
  Cl  Cl2  8  0.0000  0.1839  0.5199  1.0
  Cl  Cl3  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.4158  0.2500  1.0
]