data_[Cd2Sn2Pb2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [6.9926]
_cell_length_b [6.9926]
_cell_length_c [13.3159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CdSnPbBr6]
_chemical_formula_sum '[Cd2 Sn2 Pb2 Br12]'
_cell_volume [651.1111]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.3337  1.0
  Sn  Sn1  2  0.0000  0.0000  0.9990  1.0
  Pb  Pb2  2  0.0000  0.0000  0.6675  1.0
  Br  Br3  4  0.1894  0.8106  0.1749  1.0
  Br  Br4  4  0.1940  0.8060  0.4890  1.0
  Br  Br5  4  0.2104  0.7896  0.8360  1.0
]