data_[Ag21Au7]
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 [P-3m1]
_cell_length_a [5.8218]
_cell_length_b [5.8218]
_cell_length_c [16.6262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ag3Au]
_chemical_formula_sum '[Ag21 Au7]'
_cell_volume [488.0260]
_cell_formula_units_Z [7]
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  0.0006  0.5003  0.7142  1
  Ag  Ag1  6  0.1667  0.3333  0.8571  1
  Ag  Ag2  6  0.1668  0.3335  0.4286  1
  Ag  Ag3  3  0.0000  0.5000  0.0000  1
  Au  Au4  2  0.0000  0.0000  0.2865  1
  Au  Au5  2  0.3333  0.6667  0.1432  1
  Au  Au6  2  0.3333  0.6667  0.5710  1
  Au  Au7  1  0.0000  0.0000  0.0000  1
]