data_[Na12Zn20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.8404]
_cell_length_b [12.1436]
_cell_length_c [5.8077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na3Zn5Au2]
_chemical_formula_sum '[Na12 Zn20 Au8]'
_cell_volume [835.0583]
_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  0.1132  0.2447  0.5000  1.0
  Na  Na1  4  0.0000  0.0000  0.2500  1.0
  Zn  Zn2  8  0.1206  0.3592  0.0000  1.0
  Zn  Zn3  8  0.2360  0.5000  0.2500  1.0
  Zn  Zn4  4  0.0000  0.5000  0.2500  1.0
  Au  Au5  8  0.1564  0.1510  0.0000  1.0
]