data_[Cd2Si4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9325]
_cell_length_b [7.9248]
_cell_length_c [9.9139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd(SiBr4)2]
_chemical_formula_sum '[Cd2 Si4 Br16]'
_cell_volume [1045.9038]
_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
  Si  Si1  4  0.2093  0.0000  0.6847  1
  Br  Br2  8  0.1524  0.2280  0.7498  1
  Br  Br3  4  0.1241  0.5000  0.1951  1
  Br  Br4  4  0.1576  0.0000  0.4372  1
]