data_[Na9Zn6Au21]
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 [R-3m]
_cell_length_a [5.7194]
_cell_length_b [5.7194]
_cell_length_c [26.3179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3Zn2Au7]
_chemical_formula_sum '[Na9 Zn6 Au21]'
_cell_volume [745.5698]
_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  6  0.0000  0.0000  0.1412  1.0
  Na  Na1  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  6  0.0000  0.0000  0.3328  1.0
  Au  Au3  18  0.0028  0.5014  0.9207  1.0
  Au  Au4  3  -0.0000  -0.0000  0.5000  1.0
]