data_[Cs4Sn4Cl12]
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 [P2_1/c]
_cell_length_a [5.7623]
_cell_length_b [7.5492]
_cell_length_c [16.8819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsSnCl3]
_chemical_formula_sum '[Cs4 Sn4 Cl12]'
_cell_volume [703.1579]
_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  0.4030  0.5033  0.1535  1
  Sn  Sn1  4  0.1270  0.0310  0.8901  1
  Cl  Cl2  4  0.0207  0.6888  0.7507  1
  Cl  Cl3  4  0.1854  0.1635  0.4559  1
  Cl  Cl4  4  0.4275  0.5221  0.6221  1
]