data_[Cs4Sn4Pb2S8]
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
  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 [18.2274]
_cell_length_b [4.1722]
_cell_length_c [8.8983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sn2PbS4]
_chemical_formula_sum '[Cs4 Sn4 Pb2 S8]'
_cell_volume [597.8985]
_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  0.1189  0.0000  0.5367  1.0
  Sn  Sn1  4  0.1895  0.5000  0.0444  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0421  0.5000  0.8025  1.0
  S  S4  4  0.1832  0.0000  0.2303  1.0
]