data_[Cd10Sn6Br32]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.7764]
_cell_length_b [8.3815]
_cell_length_c [13.0641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd5Sn3Br16]
_chemical_formula_sum '[Cd10 Sn6 Br32]'
_cell_volume [1617.7597]
_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  0.4154  0.2467  0.7873  1
  Cd  Cd1  2  0.1693  0.5000  0.0159  1
  Cd  Cd2  2  0.3278  0.5000  0.2827  1
  Cd  Cd3  2  0.3380  0.0000  0.5239  1
  Sn  Sn4  4  0.0829  0.2512  0.2867  1
  Sn  Sn5  2  0.1711  0.0000  0.7860  1
  Br  Br6  4  0.0783  0.2567  0.9081  1
  Br  Br7  4  0.2452  0.2705  0.1497  1
  Br  Br8  4  0.2635  0.2394  0.6559  1
  Br  Br9  4  0.4101  0.2514  0.4048  1
  Br  Br10  2  0.0111  0.5000  0.1486  1
  Br  Br11  2  0.1725  0.0000  0.4214  1
  Br  Br12  2  0.1796  0.5000  0.4117  1
  Br  Br13  2  0.3341  0.5000  0.9025  1
  Br  Br14  2  0.3453  0.0000  0.9087  1
  Br  Br15  2  0.4825  0.5000  0.1645  1
  Br  Br16  2  0.4871  0.0000  0.6584  1
  Br  Br17  2  0.4904  0.5000  0.6751  1
]