data_[Au2I13]
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 [P-1]
_cell_length_a [8.0530]
_cell_length_b [9.6406]
_cell_length_c [11.4412]
_cell_angle_alpha [69.2842]
_cell_angle_beta [88.6238]
_cell_angle_gamma [75.8342]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Au2I13]
_chemical_formula_sum '[Au2 I13]'
_cell_volume [803.6400]
_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
[
  Au  Au0  2  0.1791  0.2446  0.2043  1.0
  I  I1  2  0.1577  0.2542  0.9671  1.0
  I  I2  2  0.1651  0.7424  0.7315  1.0
  I  I3  2  0.1786  0.2708  0.4284  1.0
  I  I4  2  0.2904  0.5856  0.3551  1.0
  I  I5  2  0.4102  0.8479  0.3033  1.0
  I  I6  2  0.4693  0.7691  0.8421  1.0
  I  I7  1  0.0000  0.0000  0.0000  1.0
]