data_[Ag8I12]
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 [C2/c]
_cell_length_a [12.1086]
_cell_length_b [8.2398]
_cell_length_c [7.9076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag2I3]
_chemical_formula_sum '[Ag8 I12]'
_cell_volume [705.2069]
_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  0.0919  0.2915  0.5473  1.0
  I  I1  8  0.1634  0.3778  0.2628  1.0
  I  I2  4  0.0000  0.1071  0.7500  1.0
]