data_[Ag16Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [12.6086]
_cell_length_b [13.7620]
_cell_length_c [6.7347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ag2Br3]
_chemical_formula_sum '[Ag16 Br24]'
_cell_volume [1168.6070]
_cell_formula_units_Z [8]
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  16  0.1232  0.3068  0.6648  1.0
  Br  Br1  16  0.0291  0.3181  0.0302  1.0
  Br  Br2  8  0.0000  0.0000  0.1101  1.0
]