data_[Zn12Ag6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8479]
_cell_length_b [7.2520]
_cell_length_c [9.0290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.8330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zn6Ag3Au]
_chemical_formula_sum '[Zn12 Ag6 Au2]'
_cell_volume [339.2612]
_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  0.0329  0.1543  0.7399  1.0
  Zn  Zn1  4  0.3050  0.2248  0.6051  1.0
  Zn  Zn2  4  0.4045  0.6325  0.5291  1.0
  Ag  Ag3  4  0.2214  0.6267  0.1533  1.0
  Ag  Ag4  2  0.5000  0.0000  0.5000  1.0
  Au  Au5  2  0.0000  0.0000  0.0000  1.0
]