data_[Zn12Ni2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9726]
_cell_length_b [4.4260]
_cell_length_c [4.8258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn6NiAu]
_chemical_formula_sum '[Zn12 Ni2 Au2]'
_cell_volume [236.2570]
_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  0.1199  0.0000  0.5951  1.0
  Zn  Zn1  4  0.1296  0.5000  0.2003  1.0
  Zn  Zn2  4  0.2374  0.5000  0.8130  1.0
  Ni  Ni3  2  0.0000  0.5000  0.5000  1.0
  Au  Au4  2  0.0000  0.0000  0.0000  1.0
]