data_[Cs2Cu2Pb2I8]
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 [P2_1/m]
_cell_length_a [7.2313]
_cell_length_b [8.3042]
_cell_length_c [10.3599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCuPbI4]
_chemical_formula_sum '[Cs2 Cu2 Pb2 I8]'
_cell_volume [588.3940]
_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  0.1938  0.2500  0.9437  1.0
  Cu  Cu1  2  0.1376  0.2500  0.3217  1.0
  Pb  Pb2  2  0.3331  0.7500  0.5494  1.0
  I  I3  4  0.3179  0.5101  0.2844  1.0
  I  I4  2  0.1252  0.2500  0.5713  1.0
  I  I5  2  0.2328  0.7500  0.8418  1.0
]