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 [Pm]
_cell_length_a [7.7507]
_cell_length_b [4.8597]
_cell_length_c [7.7709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AgI]
_chemical_formula_sum '[Ag4 I4]'
_cell_volume [286.9191]
_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  0.0389  0.5000  0.7422  1.0
  Ag  Ag1  1  0.0845  0.0000  0.2500  1.0
  Ag  Ag2  1  0.5893  0.5000  0.1877  1.0
  Ag  Ag3  1  0.8167  0.0000  0.7211  1.0
  I  I4  1  0.1769  0.0000  0.6198  1.0
  I  I5  1  0.2082  0.5000  0.1095  1.0
  I  I6  1  0.6541  0.5000  0.5684  1.0
  I  I7  1  0.7228  0.0000  0.0667  1.0
]