data_[Cs4Sn8S16]
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 [Cm]
_cell_length_a [13.1238]
_cell_length_b [7.6807]
_cell_length_c [10.4615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cs(SnS2)2]
_chemical_formula_sum '[Cs4 Sn8 S16]'
_cell_volume [869.6887]
_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  2  0.0827  0.5000  0.8179  1.0
  Cs  Cs1  2  0.4853  0.5000  0.8710  1.0
  Sn  Sn2  4  0.4857  0.2607  0.3822  1.0
  Sn  Sn3  2  0.2374  0.5000  0.3707  1.0
  Sn  Sn4  2  0.4006  0.0000  0.0219  1.0
  S  S5  4  0.0630  0.2685  0.1930  1.0
  S  S6  4  0.3809  0.2523  0.5237  1.0
  S  S7  2  0.1371  0.0000  0.5327  1.0
  S  S8  2  0.1435  0.5000  0.5400  1.0
  S  S9  2  0.3227  0.5000  0.1953  1.0
  S  S10  2  0.3305  0.0000  0.2029  1.0
]