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 [4.4414]
_cell_length_b [20.1677]
_cell_length_c [20.1677]
_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 '[Ag4 I4]'
_cell_volume [1564.4406]
_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  0.0310  0.9770  0.5255  1
  Ag  Ag1  1  0.0356  0.0950  0.4778  1
  Ag  Ag2  1  0.5057  0.0865  0.5838  1
  Ag  Ag3  1  0.5131  0.9739  0.4293  1
  I  I4  1  0.5466  0.8741  0.4904  1
  I  I5  1  0.5483  0.0755  0.3763  1
  I  I6  1  0.8253  0.7316  0.4735  1
  I  I7  1  0.9945  0.1865  0.6433  1
]