data_[Zn6Cu5Au1]
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 [P2/m]
_cell_length_a [4.4459]
_cell_length_b [5.6931]
_cell_length_c [6.5321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zn6Cu5Au]
_chemical_formula_sum '[Zn6 Cu5 Au1]'
_cell_volume [163.8804]
_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  4  0.1730  0.2558  0.3429  1
  Zn  Zn1  2  0.5000  0.2622  0.0000  1
  Cu  Cu2  2  0.3310  0.5000  0.6689  1
  Cu  Cu3  2  0.3363  0.0000  0.6627  1
  Cu  Cu4  1  0.0000  0.5000  0.0000  1
  Au  Au5  1  0.0000  0.0000  0.0000  1
]