data_[Au4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [8.5193]
_cell_length_b [20.1409]
_cell_length_c [9.3625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [AuI2]
_chemical_formula_sum '[Au4 I8]'
_cell_volume [1604.9300]
_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
[
  Au  Au0  2  0.1009  0.5805  0.2121  1
  Au  Au1  1  0.0000  0.4443  0.5000  1
  Au  Au2  1  0.0000  0.4739  0.0000  1
  I  I3  2  0.0001  0.3344  0.6718  1
  I  I4  2  0.1970  0.5775  0.8997  1
  I  I5  2  0.3898  0.5897  0.3151  1
  I  I6  1  0.0000  0.3444  0.0000  1
  I  I7  1  0.0000  0.5732  0.5000  1
]