data_[Zn14Cu4Au4]
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 [6.6432]
_cell_length_b [7.5062]
_cell_length_c [6.7961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn7(CuAu)2]
_chemical_formula_sum '[Zn14 Cu4 Au4]'
_cell_volume [331.6963]
_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  8  0.2135  0.3105  0.1837  1.0
  Zn  Zn1  4  0.1458  0.0000  0.3938  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  4  0.1168  0.5000  0.8659  1.0
  Au  Au4  4  0.0000  0.3076  0.5000  1.0
]