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 [C2]
_cell_length_a [14.4751]
_cell_length_b [5.1193]
_cell_length_c [6.7100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [AuI2]
_chemical_formula_sum '[Au4 I8]'
_cell_volume [484.5423]
_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  4  0.1257  0.0566  0.8844  1.0
  I  I1  4  0.2294  0.4222  0.7559  1.0
  I  I2  2  0.0000  0.1335  0.5000  1.0
  I  I3  2  0.0000  0.7362  0.0000  1.0
]