data_[Na6As3Au3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8556]
_cell_length_b [7.8556]
_cell_length_c [21.7306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2AsAuI6]
_chemical_formula_sum '[Na6 As3 Au3 I18]'
_cell_volume [1161.3399]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.0156  1.0
  Na  Na1  3  0.0000  0.0000  0.5298  1.0
  As  As2  3  0.0000  0.0000  0.3281  1.0
  Au  Au3  3  0.0000  0.0000  0.7501  1.0
  I  I4  9  0.0082  0.7059  0.4208  1.0
  I  I5  9  0.0530  0.3511  0.9257  1.0
]