data_[Au2I6]
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 [P-1]
_cell_length_a [7.4073]
_cell_length_b [7.4673]
_cell_length_c [7.5666]
_cell_angle_alpha [75.3012]
_cell_angle_beta [87.7789]
_cell_angle_gamma [69.0869]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AuI3]
_chemical_formula_sum '[Au2 I6]'
_cell_volume [377.5413]
_cell_formula_units_Z [2]
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  0.0206  0.6582  0.1694  1.0
  I  I1  2  0.2087  0.0184  0.7414  1.0
  I  I2  2  0.2487  0.3256  0.0780  1.0
  I  I3  2  0.2895  0.6330  0.4111  1.0
]