data_[Au8I8]
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_12_12_1]
_cell_length_a [7.6482]
_cell_length_b [7.8568]
_cell_length_c [10.5193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [AuI]
_chemical_formula_sum '[Au8 I8]'
_cell_volume [632.1150]
_cell_formula_units_Z [8]
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  0.0215  0.9782  0.6499  1.0
  Au  Au1  4  0.2266  0.7773  0.8495  1.0
  I  I2  4  0.2070  0.0413  0.9998  1.0
  I  I3  4  0.2317  0.5029  0.2153  1.0
]