data_[Au2I4]
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 [P1]
_cell_length_a [5.1188]
_cell_length_b [6.8718]
_cell_length_c [8.0650]
_cell_angle_alpha [74.1203]
_cell_angle_beta [81.6707]
_cell_angle_gamma [81.9609]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AuI2]
_chemical_formula_sum '[Au2 I4]'
_cell_volume [268.4829]
_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  1  0.3054  0.6721  0.4618  1.0
  Au  Au1  1  0.4603  0.0586  0.3244  1.0
  I  I2  1  0.2200  0.2669  0.5489  1.0
  I  I3  1  0.6336  0.7592  0.1739  1.0
  I  I4  1  0.7246  0.3194  0.0645  1.0
  I  I5  1  0.9675  0.7453  0.7206  1.0
]