data_[Cs4K4Sn4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5104]
_cell_length_b [4.1683]
_cell_length_c [12.6956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsKSnS2]
_chemical_formula_sum '[Cs4 K4 Sn4 S8]'
_cell_volume [734.7001]
_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  0.1614  0.5000  0.6370  1.0
  K  K1  4  0.1465  0.5000  0.0289  1.0
  Sn  Sn2  4  0.0394  0.0000  0.2097  1.0
  S  S3  4  0.0853  0.5000  0.3440  1.0
  S  S4  4  0.1388  0.0000  0.8413  1.0
]