data_[Cd2Ag2Br6]
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 [Pnc2]
_cell_length_a [15.6917]
_cell_length_b [12.0959]
_cell_length_c [8.4498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [CdAgBr3]
_chemical_formula_sum '[Cd2 Ag2 Br6]'
_cell_volume [1603.8177]
_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  0.5000  0.0000  0.1862  1
  Ag  Ag1  2  0.5000  0.0000  0.5785  1
  Br  Br2  4  0.4780  0.6665  0.8725  1
  Br  Br3  2  0.5000  0.0000  0.8866  1
]