data_[Cd2Ag6Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0507]
_cell_length_b [7.0642]
_cell_length_c [13.1358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd(AgBr2)3]
_chemical_formula_sum '[Cd2 Ag6 Br12]'
_cell_volume [560.2043]
_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
  Ag  Ag1  4  0.2593  0.0475  0.7582  1
  Ag  Ag2  2  0.5000  0.0000  0.5000  1
  Br  Br3  4  0.0962  0.0936  0.2278  1
  Br  Br4  4  0.2733  0.6745  0.0898  1
  Br  Br5  4  0.4065  0.1805  0.0673  1
]