data_[Cs4B2Pb2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  B  2.0400  0.8500  0.4100
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.0459]
_cell_length_b [8.0459]
_cell_length_c [10.5342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs2BPbBr6]
_chemical_formula_sum '[Cs4 B2 Pb2 Br12]'
_cell_volume [681.9511]
_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  0.0000  0.5000  0.2500  1
  B  B1  2  0.0000  0.0000  0.5000  1
  Pb  Pb2  2  0.0000  0.0000  0.0000  1
  Br  Br3  8  0.2360  0.7640  0.5000  1
  Br  Br4  4  0.0000  0.0000  0.2890  1
]