data_[Ag4I4]
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 [4.6396]
_cell_length_b [7.6088]
_cell_length_c [8.0872]
_cell_angle_alpha [91.5064]
_cell_angle_beta [92.0671]
_cell_angle_gamma [93.3864]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AgI]
_chemical_formula_sum '[Ag4 I4]'
_cell_volume [284.6976]
_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  1  0.0663  0.5578  0.5854  1.0
  Ag  Ag1  1  0.0853  0.0597  0.9719  1.0
  Ag  Ag2  1  0.5675  0.5509  0.1279  1.0
  Ag  Ag3  1  0.7271  0.3340  0.8241  1.0
  I  I4  1  0.0735  0.6787  0.9489  1.0
  I  I5  1  0.2092  0.1992  0.6460  1.0
  I  I6  1  0.5812  0.7084  0.4495  1.0
  I  I7  1  0.6148  0.1767  0.1549  1.0
]