data_[Cs4Pb4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5147]
_cell_length_b [8.7810]
_cell_length_c [8.3674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2Pb2S3]
_chemical_formula_sum '[Cs4 Pb4 S6]'
_cell_volume [542.4260]
_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  0.2028  0.1476  0.3816  1.0
  Pb  Pb1  4  0.3132  0.6474  0.4728  1.0
  S  S2  4  0.4482  0.0395  0.7708  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
]