data_[Zn6Cu2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2440]
_cell_length_b [5.4152]
_cell_length_c [6.8995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zn3CuAu]
_chemical_formula_sum '[Zn6 Cu2 Au2]'
_cell_volume [151.7247]
_cell_formula_units_Z [2]
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  4  0.1311  0.0046  0.2408  1.0
  Zn  Zn1  2  0.2979  0.2500  0.6097  1.0
  Cu  Cu2  2  0.2968  0.7500  0.5949  1.0
  Au  Au3  2  0.4033  0.7500  0.9916  1.0
]