data_[Cs4Cu4Pb2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6810]
_cell_length_b [8.0216]
_cell_length_c [8.7491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Cu2PbBr6]
_chemical_formula_sum '[Cs4 Cu4 Pb2 Br12]'
_cell_volume [837.1663]
_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  0.2199  0.5000  0.2091  1.0
  Cu  Cu1  4  0.0493  0.0000  0.2397  1.0
  Pb  Pb2  2  0.0000  0.5000  0.5000  1.0
  Br  Br3  8  0.0438  0.2560  0.7964  1.0
  Br  Br4  4  0.2469  0.0000  0.3443  1.0
]