data_[Cs8Pb4Cl20]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.8967]
_cell_length_b [7.6230]
_cell_length_c [15.6361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cs2PbCl5]
_chemical_formula_sum '[Cs8 Pb4 Cl20]'
_cell_volume [1179.6297]
_cell_formula_units_Z [4]
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  0.0275  0.7500  0.7937  1
  Cs  Cs1  4  0.1666  0.2500  0.5825  1
  Pb  Pb2  4  0.1804  0.2500  0.9363  1
  Cl  Cl3  8  0.1597  0.0052  0.3843  1
  Cl  Cl4  4  0.0000  0.0000  0.0000  1
  Cl  Cl5  4  0.0317  0.2500  0.7932  1
  Cl  Cl6  4  0.2070  0.7500  0.5984  1
]