data_[Na12Zn12Au8]
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 [Cmcm]
_cell_length_a [4.4367]
_cell_length_b [10.6277]
_cell_length_c [15.0295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3Zn3Au2]
_chemical_formula_sum '[Na12 Zn12 Au8]'
_cell_volume [708.6721]
_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  0.0000  0.0834  0.6102  1
  Na  Na1  4  0.0000  0.3828  0.7500  1
  Zn  Zn2  8  0.0000  0.3844  0.5322  1
  Zn  Zn3  4  0.0000  0.3219  0.2500  1
  Au  Au4  8  0.0000  0.2069  0.1000  1
]