data_[Ag6Pd45Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0311]
_cell_length_b [9.0311]
_cell_length_c [13.7585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ag2Pd15Au2]
_chemical_formula_sum '[Ag6 Pd45 Au6]'
_cell_volume [971.8066]
_cell_formula_units_Z [3]
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  0.0000  0.0000  0.0982  1
  Pd  Pd1  18  0.0000  0.3285  0.0000  1
  Pd  Pd2  18  0.0067  0.5034  0.1630  1
  Pd  Pd3  9  0.0000  0.5000  0.5000  1
  Au  Au4  6  0.0000  0.0000  0.3247  1
]