data_[Ag9I9]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.6848]
_cell_length_b [20.1205]
_cell_length_c [20.1205]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AgI]
_chemical_formula_sum '[Ag9 I9]'
_cell_volume [3044.8717]
_cell_formula_units_Z [9]
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  1  0.0718  0.0952  0.6055  1
  Ag  Ag1  1  0.0718  0.8124  0.3665  1
  Ag  Ag2  1  0.0852  0.9895  0.4346  1
  Ag  Ag3  1  0.3096  0.1310  0.5169  1
  Ag  Ag4  1  0.4241  0.9811  0.3789  1
  Ag  Ag5  1  0.4659  0.9962  0.5541  1
  Ag  Ag6  1  0.7498  0.0642  0.6422  1
  Ag  Ag7  1  0.7945  0.0914  0.5043  1
  Ag  Ag8  1  0.8078  0.8373  0.5111  1
  I  I9  1  0.0477  0.1281  0.4343  1
  I  I10  1  0.1542  0.9384  0.5421  1
  I  I11  1  0.2073  0.8731  0.2867  1
  I  I12  1  0.3757  0.1545  0.6616  1
  I  I13  1  0.5540  0.1251  0.4224  1
  I  I14  1  0.6605  0.9369  0.6447  1
  I  I15  1  0.6913  0.9323  0.4324  1
  I  I16  1  0.8397  0.2036  0.6679  1
  I  I17  1  0.9306  0.7096  0.3938  1
]