data_[Cs4Ba2Pb2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0899]
_cell_length_b [8.3556]
_cell_length_c [14.0797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2BaPbCl6]
_chemical_formula_sum '[Cs4 Ba2 Pb2 Cl12]'
_cell_volume [782.3311]
_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  0.2330  0.5559  0.7496  1.0
  Ba  Ba1  2  0.5000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1483  0.7132  0.4511  1.0
  Cl  Cl4  4  0.2414  0.2008  0.4528  1.0
  Cl  Cl5  4  0.3336  0.5293  0.2428  1.0
]