data_[Ag20Au12]
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 [C2/m]
_cell_length_a [5.2770]
_cell_length_b [15.0905]
_cell_length_c [8.0125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag5Au3]
_chemical_formula_sum '[Ag20 Au12]'
_cell_volume [603.2455]
_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
[
  Ag  Ag0  8  0.1069  0.8312  0.6898  1.0
  Ag  Ag1  8  0.2215  0.4029  0.8439  1.0
  Ag  Ag2  4  0.2349  0.0000  0.4725  1.0
  Au  Au3  4  0.0000  0.2605  0.0000  1.0
  Au  Au4  4  0.0000  0.3298  0.5000  1.0
  Au  Au5  4  0.2389  0.0000  0.8451  1.0
]