data_[Zn4Cu2Au2]
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 [Cm]
_cell_length_a [9.4659]
_cell_length_b [3.1977]
_cell_length_c [4.2783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn2CuAu]
_chemical_formula_sum '[Zn4 Cu2 Au2]'
_cell_volume [118.5818]
_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  2  0.0069  0.0000  0.0425  1.0
  Zn  Zn1  2  0.2516  0.0000  0.7202  1.0
  Cu  Cu2  2  0.2443  0.5000  0.2041  1.0
  Au  Au3  2  0.4973  0.0000  0.5333  1.0
]