data_[Ag12Ge2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.8025]
_cell_length_b [2.8860]
_cell_length_c [11.9141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ag6GeAu3]
_chemical_formula_sum '[Ag12 Ge2 Au6]'
_cell_volume [367.0948]
_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
[
  Ag  Ag0  2  0.1225  0.7500  0.4895  1.0
  Ag  Ag1  2  0.1971  0.2500  0.9342  1.0
  Ag  Ag2  2  0.2165  0.2500  0.2928  1.0
  Ag  Ag3  2  0.2661  0.2500  0.7083  1.0
  Ag  Ag4  2  0.3423  0.7500  0.1254  1.0
  Ag  Ag5  2  0.4907  0.2500  0.3089  1.0
  Ge  Ge6  2  0.0397  0.7500  0.7159  1.0
  Au  Au7  2  0.0692  0.7500  0.1025  1.0
  Au  Au8  2  0.3706  0.2500  0.5042  1.0
  Au  Au9  2  0.4238  0.7500  0.9031  1.0
]