data_[Zn12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9803]
_cell_length_b [5.3601]
_cell_length_c [8.3654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn3Au]
_chemical_formula_sum '[Zn12 Au4]'
_cell_volume [261.9982]
_cell_formula_units_Z [4]
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  0.0000  0.2515  0.5000  1.0
  Zn  Zn1  4  0.1166  0.5000  0.2404  1.0
  Zn  Zn2  4  0.2500  0.2500  0.0000  1.0
  Au  Au3  4  0.1483  0.0000  0.2611  1.0
]