data_[Cd2B4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1846]
_cell_length_b [10.3997]
_cell_length_c [6.1234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd(BBr4)2]
_chemical_formula_sum '[Cd2 B4 Br16]'
_cell_volume [769.0196]
_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  1.0
  B  B1  4  0.2021  0.0000  0.6589  1.0
  Br  Br2  8  0.1187  0.1604  0.7526  1.0
  Br  Br3  4  0.1418  0.5000  0.2025  1.0
  Br  Br4  4  0.2009  0.0000  0.3248  1.0
]