data_[Cs4Sn4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0439]
_cell_length_b [5.1509]
_cell_length_c [12.2156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsSnS2]
_chemical_formula_sum '[Cs4 Sn4 S8]'
_cell_volume [506.1382]
_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  0.1185  0.7500  0.8699  1.0
  Sn  Sn1  4  0.0544  0.2500  0.6143  1.0
  S  S2  4  0.1367  0.7500  0.5626  1.0
  S  S3  4  0.1406  0.7500  0.2304  1.0
]