data_[Cd6Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [11.2076]
_cell_length_b [11.2076]
_cell_length_c [21.9438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Cd3Br5]
_chemical_formula_sum '[Cd6 Br10]'
_cell_volume [2387.0929]
_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  3  0.0000  0.8091  0.5119  1
  Cd  Cd1  2  0.3333  0.6667  0.4531  1
  Cd  Cd2  1  0.0000  0.0000  0.7456  1
  Br  Br3  6  0.1958  0.7904  0.4391  1
  Br  Br4  3  0.0000  0.2052  0.5829  1
  Br  Br5  1  0.0000  0.0000  0.4291  1
]