data_[Zn6Ge2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8687]
_cell_length_b [7.1202]
_cell_length_c [10.0090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.0485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zn3GeAu6]
_chemical_formula_sum '[Zn6 Ge2 Au12]'
_cell_volume [357.7177]
_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  0.3312  0.1661  0.7523  1
  Zn  Zn1  2  0.5000  0.0000  0.5000  1
  Ge  Ge2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.0121  0.6068  0.2449  1
  Au  Au4  4  0.2040  0.6528  0.0546  1
  Au  Au5  4  0.4105  0.1552  0.0556  1
]