data_[Cs2Cu2Pb2Br8]
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 [P2_1/m]
_cell_length_a [6.7243]
_cell_length_b [7.7847]
_cell_length_c [9.7795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCuPbBr4]
_chemical_formula_sum '[Cs2 Cu2 Pb2 Br8]'
_cell_volume [487.5395]
_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  0.2049  0.2500  0.9385  1.0
  Cu  Cu1  2  0.1421  0.2500  0.3215  1.0
  Pb  Pb2  2  0.3360  0.7500  0.5496  1.0
  Br  Br3  4  0.3209  0.5119  0.2833  1.0
  Br  Br4  2  0.1267  0.2500  0.5689  1.0
  Br  Br5  2  0.2275  0.7500  0.8395  1.0
]