data_[Zn2Cu2Au3]
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 [2.8585]
_cell_length_b [6.4507]
_cell_length_c [6.5750]
_cell_angle_alpha [110.5874]
_cell_angle_beta [90.7019]
_cell_angle_gamma [102.5621]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zn2Cu2Au3]
_chemical_formula_sum '[Zn2 Cu2 Au3]'
_cell_volume [110.2547]
_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  0.3890  0.7860  0.2249  1.0
  Cu  Cu1  2  0.0752  0.1650  0.4319  1.0
  Au  Au2  2  0.2899  0.5707  0.7509  1.0
  Au  Au3  1  0.0000  0.0000  0.0000  1.0
]