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 [P-1]
_cell_length_a [4.6128]
_cell_length_b [8.4249]
_cell_length_c [8.6537]
_cell_angle_alpha [116.4147]
_cell_angle_beta [98.0978]
_cell_angle_gamma [98.7026]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AgI]
_chemical_formula_sum '[Ag4 I4]'
_cell_volume [289.3741]
_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  2  0.1219  0.5102  0.3522  1.0
  Ag  Ag1  2  0.2591  0.1450  0.1438  1.0
  I  I2  2  0.2524  0.7502  0.9949  1.0
  I  I3  2  0.2856  0.2577  0.5131  1.0
]