data_[Au4I4]
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_1]
_cell_length_a [18.5732]
_cell_length_b [4.6538]
_cell_length_c [18.5732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [AuI]
_chemical_formula_sum '[Au4 I4]'
_cell_volume [1390.3151]
_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  0.3490  0.9956  0.4522  1
  Au  Au1  2  0.4672  0.7462  0.3533  1
  I  I2  2  0.3134  0.8715  0.3024  1
  I  I3  2  0.3800  0.1230  0.6006  1
]