data_[Cd4Sn2Pb2Br16]
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 [I-4m2]
_cell_length_a [9.8238]
_cell_length_b [9.8238]
_cell_length_c [9.2798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Cd2SnPbBr8]
_chemical_formula_sum '[Cd4 Sn2 Pb2 Br16]'
_cell_volume [895.5699]
_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  0.5000  1.0
  Cd  Cd1  2  0.0000  0.5000  0.7500  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  2  0.0000  0.5000  0.2500  1.0
  Br  Br4  8  0.0000  0.1868  0.2963  1.0
  Br  Br5  8  0.0000  0.3094  0.9504  1.0
]