data_[Ag15I6Br12]
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 [R-3m]
_cell_length_a [4.3193]
_cell_length_b [4.3193]
_cell_length_c [62.1429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ag5(IBr2)2]
_chemical_formula_sum '[Ag15 I6 Br12]'
_cell_volume [1004.0373]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2260  1
  Ag  Ag1  6  0.0000  0.0000  0.3758  1
  Ag  Ag2  3  -0.0000  -0.0000  0.5000  1
  I  I3  6  0.0000  0.0000  0.1388  1
  Br  Br4  6  0.0000  0.0000  0.3051  1
  Br  Br5  6  0.0000  0.0000  0.4205  1
]