data_[Cs8Cu4Pb4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6874]
_cell_length_b [22.8151]
_cell_length_c [16.0213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2CuPbI5]
_chemical_formula_sum '[Cs8 Cu4 Pb4 I20]'
_cell_volume [1713.3792]
_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  0.1237  0.3268  1
  Cs  Cs1  4  0.0000  0.1237  0.7031  1
  Cu  Cu2  4  0.0000  0.4504  0.4344  1
  Pb  Pb3  4  0.0000  0.2053  0.0163  1
  I  I4  4  0.0000  0.0583  0.0091  1
  I  I5  4  0.0000  0.2971  0.6587  1
  I  I6  4  0.0000  0.2978  0.3731  1
  I  I7  4  0.0000  0.3450  0.0149  1
  I  I8  4  0.0000  0.4943  0.2877  1
]