data_[Zn36Sn3Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.7256]
_cell_length_b [11.7256]
_cell_length_c [8.7178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zn12SnAu6]
_chemical_formula_sum '[Zn36 Sn3 Au18]'
_cell_volume [1038.0366]
_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
[
  Zn  Zn0  18  0.0000  0.3887  0.5000  1.0
  Zn  Zn1  18  0.0857  0.1713  0.2805  1.0
  Sn  Sn2  3  0.0000  0.0000  0.0000  1.0
  Au  Au3  18  0.0630  0.5315  0.2412  1.0
]