data_[Cs2Nb2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nb  1.6000  1.4500  0.8200
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0986]
_cell_length_b [7.2349]
_cell_length_c [9.4486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNbPbS4]
_chemical_formula_sum '[Cs2 Nb2 Pb2 S8]'
_cell_volume [464.0153]
_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  2  0.2664  0.2500  0.0616  1
  Nb  Nb1  2  0.2251  0.7500  0.3329  1
  Pb  Pb2  2  0.2339  0.2500  0.5493  1
  S  S3  4  0.0159  0.0002  0.2976  1
  S  S4  2  0.4149  0.7500  0.1741  1
  S  S5  2  0.4295  0.7500  0.5687  1
]