data_[Zn10Cu10Au4]
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 [11.4956]
_cell_length_b [3.8314]
_cell_length_c [8.6018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn5Cu5Au2]
_chemical_formula_sum '[Zn10 Cu10 Au4]'
_cell_volume [337.4793]
_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  0.1671  0.0000  0.4954  1.0
  Zn  Zn1  4  0.2471  0.0000  0.2382  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  4  0.0883  0.5000  0.2508  1.0
  Cu  Cu4  4  0.1588  0.5000  0.0020  1.0
  Cu  Cu5  2  0.0000  0.5000  0.5000  1.0
  Au  Au6  4  0.0848  0.0000  0.7504  1.0
]