data_[Zn6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6799]
_cell_length_b [3.1852]
_cell_length_c [6.8071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnAu]
_chemical_formula_sum '[Zn6 Au6]'
_cell_volume [198.0440]
_cell_formula_units_Z [6]
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  2  0.0313  0.0000  0.5978  1.0
  Zn  Zn1  2  0.1697  0.5000  0.3535  1.0
  Zn  Zn2  2  0.2313  0.5000  0.9283  1.0
  Au  Au3  2  0.0349  0.0000  0.0153  1.0
  Au  Au4  2  0.3212  0.0000  0.6734  1.0
  Au  Au5  2  0.3783  0.0000  0.2650  1.0
]