data_[Cs4Ba2Pb4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0991]
_cell_length_b [4.3591]
_cell_length_c [8.9300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ba(PbS2)2]
_chemical_formula_sum '[Cs4 Ba2 Pb4 S8]'
_cell_volume [660.5684]
_cell_formula_units_Z [2]
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  0.1193  0.0000  0.5422  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  4  0.1842  0.5000  0.0337  1.0
  S  S3  4  0.0394  0.5000  0.7874  1.0
  S  S4  4  0.1842  0.0000  0.2273  1.0
]