data_[Zn4Cu3Au4]
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 [P-1]
_cell_length_a [2.8360]
_cell_length_b [4.4430]
_cell_length_c [13.4784]
_cell_angle_alpha [82.3020]
_cell_angle_beta [86.1477]
_cell_angle_gamma [89.1093]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zn4Cu3Au4]
_chemical_formula_sum '[Zn4 Cu3 Au4]'
_cell_volume [167.9191]
_cell_formula_units_Z [1]
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  0.1848  0.1778  0.6361  1.0
  Zn  Zn1  2  0.2629  0.4550  0.0841  1.0
  Cu  Cu2  2  0.1609  0.6263  0.7438  1.0
  Cu  Cu3  1  0.0000  0.0000  0.0000  1.0
  Au  Au4  2  0.2822  0.2872  0.4327  1.0
  Au  Au5  2  0.3929  0.9076  0.1862  1.0
]