data_[Ag1Au1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  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 [7.0244]
_cell_length_b [7.4994]
_cell_length_c [7.7959]
_cell_angle_alpha [105.1488]
_cell_angle_beta [99.0070]
_cell_angle_gamma [109.5117]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AgAuI6]
_chemical_formula_sum '[Ag1 Au1 I6]'
_cell_volume [359.9726]
_cell_formula_units_Z [1]
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
[
  Ag  Ag0  1  0.5000  0.0000  0.5000  1.0
  Au  Au1  1  0.0000  0.0000  0.0000  1.0
  I  I2  2  0.0821  0.7943  0.2425  1.0
  I  I3  2  0.3422  0.5836  0.4221  1.0
  I  I4  2  0.3537  0.1145  0.9065  1.0
]