data_[Ba1Cd1Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9029]
_cell_length_b [9.2113]
_cell_length_c [7.1911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaCd(PbBr4)2]
_chemical_formula_sum '[Ba1 Cd1 Pb2 Br8]'
_cell_volume [457.1804]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Cd  Cd1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2345  0.5000  1.0
  Br  Br3  4  0.2381  0.2181  0.1496  1.0
  Br  Br4  2  0.2438  0.0000  0.6680  1.0
  Br  Br5  2  0.2685  0.5000  0.6366  1.0
]