data_[Ag16I4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.9409]
_cell_length_b [10.2341]
_cell_length_c [8.9982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ag4IBr4]
_chemical_formula_sum '[Ag16 I4 Br16]'
_cell_volume [1099.6282]
_cell_formula_units_Z [4]
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
[
  Ag  Ag0  8  0.0000  0.2078  0.0352  1
  Ag  Ag1  8  0.2225  0.4470  0.7500  1
  I  I2  4  0.0000  0.3401  0.7500  1
  Br  Br3  8  0.1550  0.0000  0.0000  1
  Br  Br4  8  0.1578  0.2901  0.2500  1
]