data_[Ag8Au9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.9287]
_cell_length_b [8.9287]
_cell_length_c [19.8622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Ag8Au9]
_chemical_formula_sum '[Ag8 Au9]'
_cell_volume [1371.2981]
_cell_formula_units_Z [1]
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  6  0.1803  0.7136  0.4152  1
  Ag  Ag1  2  0.3333  0.6667  0.6600  1
  Au  Au2  6  0.1720  0.4750  0.5463  1
  Au  Au3  3  0.0000  0.1763  0.4705  1
]