data_[Zn4Cu2Au12]
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 [C2/m]
_cell_length_a [8.8224]
_cell_length_b [4.1082]
_cell_length_c [8.6681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2CuAu6]
_chemical_formula_sum '[Zn4 Cu2 Au12]'
_cell_volume [302.9524]
_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  0.1718  0.5000  0.7256  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  4  0.0003  0.0000  0.1873  1.0
  Au  Au3  4  0.1597  0.5000  0.4055  1.0
  Au  Au4  4  0.1660  0.5000  0.0582  1.0
]