data_[Ag8I4Br18]
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 [P-1]
_cell_length_a [7.0709]
_cell_length_b [7.3631]
_cell_length_c [22.6786]
_cell_angle_alpha [88.0082]
_cell_angle_beta [89.6738]
_cell_angle_gamma [69.5175]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag4I2Br9]
_chemical_formula_sum '[Ag8 I4 Br18]'
_cell_volume [1105.4012]
_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
[
  Ag  Ag0  2  0.1052  0.4318  0.7861  1
  Ag  Ag1  2  0.1232  0.2064  0.4903  1
  Ag  Ag2  2  0.1852  0.0526  0.3226  1
  Ag  Ag3  2  0.3876  0.2142  0.9464  1
  I  I4  2  0.2606  0.7468  0.8274  1
  I  I5  2  0.4601  0.5637  0.6378  1
  Br  Br6  2  0.0221  0.0578  0.7610  1
  Br  Br7  2  0.0385  0.3666  0.8989  1
  Br  Br8  2  0.1140  0.9113  0.4256  1
  Br  Br9  2  0.1856  0.4712  0.5578  1
  Br  Br10  2  0.2308  0.3694  0.2796  1
  Br  Br11  2  0.2590  0.9725  0.0066  1
  Br  Br12  2  0.4297  0.2737  0.7113  1
  Br  Br13  2  0.4638  0.5476  0.1075  1
  Br  Br14  2  0.4976  0.1472  0.4294  1
]