data_[Cd10Pb6Br32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [14.9028]
_cell_length_b [8.4554]
_cell_length_c [13.0701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd5Pb3Br16]
_chemical_formula_sum '[Cd10 Pb6 Br32]'
_cell_volume [1646.6465]
_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  4  0.4150  0.2462  0.7877  1
  Cd  Cd1  2  0.1698  0.5000  0.0154  1
  Cd  Cd2  2  0.3273  0.5000  0.2819  1
  Cd  Cd3  2  0.3390  0.0000  0.5248  1
  Pb  Pb4  4  0.0831  0.2511  0.2880  1
  Pb  Pb5  2  0.1702  0.0000  0.7863  1
  Br  Br6  4  0.0769  0.2581  0.9081  1
  Br  Br7  4  0.2464  0.2722  0.1484  1
  Br  Br8  4  0.2663  0.2398  0.6545  1
  Br  Br9  4  0.4079  0.2495  0.4041  1
  Br  Br10  2  0.0126  0.5000  0.1441  1
  Br  Br11  2  0.1715  0.0000  0.4262  1
  Br  Br12  2  0.1833  0.5000  0.4138  1
  Br  Br13  2  0.3322  0.5000  0.9013  1
  Br  Br14  2  0.3471  0.0000  0.9089  1
  Br  Br15  2  0.4809  0.5000  0.1651  1
  Br  Br16  2  0.4869  0.0000  0.6590  1
  Br  Br17  2  0.4877  0.5000  0.6761  1
]