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 [P2/c]
_cell_length_a [4.1407]
_cell_length_b [20.5796]
_cell_length_c [16.8297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [AuI2]
_chemical_formula_sum '[Au4 I8]'
_cell_volume [1414.0503]
_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  0.0000  0.4533  0.2500  1
  Au  Au1  2  0.5000  0.4581  0.7500  1
  I  I2  4  0.1275  0.4782  0.0789  1
  I  I3  2  0.0000  0.3718  0.7500  1
  I  I4  2  0.5000  0.3644  0.2500  1
]