data_[Na8Au8Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [18.1926]
_cell_length_b [7.6857]
_cell_length_c [7.8820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Na2Au2Br5]
_chemical_formula_sum '[Na8 Au8 Br20]'
_cell_volume [1102.0811]
_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  0.1133  0.5489  0.9526  1.0
  Au  Au1  4  0.0000  0.0000  0.0624  1.0
  Au  Au2  4  0.2500  0.5026  0.3598  1.0
  Br  Br3  8  0.0214  0.2465  0.3161  1.0
  Br  Br4  8  0.1453  0.5891  0.5717  1.0
  Br  Br5  4  0.2500  0.1038  0.5610  1.0
]