data_[Cd8Sn4Br24]
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 [C2/c]
_cell_length_a [14.1161]
_cell_length_b [12.9134]
_cell_length_c [7.5189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd2SnBr6]
_chemical_formula_sum '[Cd8 Sn4 Br24]'
_cell_volume [1346.2061]
_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  8  0.1892  0.4183  0.8280  1.0
  Sn  Sn1  4  0.0000  0.1100  0.7500  1.0
  Br  Br2  8  0.1192  0.0894  0.1295  1.0
  Br  Br3  8  0.1232  0.2557  0.6251  1.0
  Br  Br4  8  0.1267  0.4135  0.1375  1.0
]