data_[Ba4Pb2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7588]
_cell_length_b [8.2003]
_cell_length_c [12.8803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2PbBr6]
_chemical_formula_sum '[Ba4 Pb2 Br12]'
_cell_volume [718.0674]
_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
[
  Ba  Ba0  4  0.1797  0.5995  0.2285  1
  Pb  Pb1  2  0.5000  0.0000  0.5000  1
  Br  Br2  4  0.1252  0.6871  0.9421  1
  Br  Br3  4  0.2349  0.1956  0.9148  1
  Br  Br4  4  0.4195  0.5645  0.7505  1
]