data_[Cd4In4Pb4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7976]
_cell_length_b [13.0533]
_cell_length_c [10.8292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CdInPbBr5]
_chemical_formula_sum '[Cd4 In4 Pb4 Br20]'
_cell_volume [1265.7424]
_cell_formula_units_Z [4]
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  4  0.0000  0.3205  0.2500  1.0
  In  In1  4  0.0000  0.3423  0.7500  1.0
  Pb  Pb2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1332  0.2096  0.1263  1.0
  Br  Br4  8  0.1754  0.4410  0.4485  1.0
  Br  Br5  4  0.0000  0.1000  0.7500  1.0
]