data_[Na4Au8I24]
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 [C2/c]
_cell_length_a [16.3611]
_cell_length_b [11.2278]
_cell_length_c [10.4394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na(AuI3)2]
_chemical_formula_sum '[Na4 Au8 I24]'
_cell_volume [1697.3568]
_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  4  0.0000  0.2586  0.7500  1.0
  Au  Au1  8  0.2194  0.4298  0.1846  1.0
  I  I2  8  0.0562  0.3291  0.0771  1.0
  I  I3  8  0.1010  0.0313  0.6849  1.0
  I  I4  8  0.1808  0.4756  0.8999  1.0
]