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 [C2]
_cell_length_a [6.9120]
_cell_length_b [5.9569]
_cell_length_c [7.5208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [AuI]
_chemical_formula_sum '[Au4 I4]'
_cell_volume [309.4709]
_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  0.2321  0.8252  0.5000  1.0
  I  I1  4  0.2414  0.5755  0.2108  1.0
]