data_[Cs4Pb8I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.1988]
_cell_length_b [9.1988]
_cell_length_c [16.8334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CsPb2I5]
_chemical_formula_sum '[Cs4 Pb8 I20]'
_cell_volume [1424.4143]
_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  0.0000  0.0000  0.2500  1.0
  Pb  Pb1  8  0.1667  0.3333  0.0000  1.0
  I  I2  16  0.1541  0.3459  0.3730  1.0
  I  I3  4  0.0000  0.0000  0.0000  1.0
]