data_[Na8Au8I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [19.2293]
_cell_length_b [8.3051]
_cell_length_c [8.3935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Na2Au2I5]
_chemical_formula_sum '[Na8 Au8 I20]'
_cell_volume [1340.4464]
_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
[
  Na  Na0  8  0.1103  0.0494  0.5410  1.0
  Au  Au1  4  0.0000  0.0000  0.9430  1.0
  Au  Au2  4  0.2500  0.0001  0.1354  1.0
  I  I3  8  0.0226  0.7488  0.1914  1.0
  I  I4  8  0.1451  0.0863  0.9300  1.0
  I  I5  4  0.2500  0.6050  0.9327  1.0
]