data_[Cd2Sn4Br16]
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/m]
_cell_length_a [13.3558]
_cell_length_b [10.9169]
_cell_length_c [6.7548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd(SnBr4)2]
_chemical_formula_sum '[Cd2 Sn4 Br16]'
_cell_volume [974.3349]
_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  0.0000  1
  Sn  Sn1  4  0.2173  0.0000  0.6831  1
  Br  Br2  8  0.0934  0.1761  0.7826  1
  Br  Br3  4  0.0911  0.5000  0.1169  1
  Br  Br4  4  0.1838  0.0000  0.2793  1
]