data_[Sn3Pd9Au9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6659]
_cell_length_b [5.6659]
_cell_length_c [13.9893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sn(PdAu)3]
_chemical_formula_sum '[Sn3 Pd9 Au9]'
_cell_volume [388.9247]
_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
[
  Sn  Sn0  2  0.3333  0.6667  0.8376  1
  Sn  Sn1  1  0.0000  0.0000  0.0000  1
  Pd  Pd2  6  0.1676  0.3351  0.1682  1
  Pd  Pd3  3  0.0000  0.5000  0.0000  1
  Au  Au4  6  0.1635  0.3270  0.6632  1
  Au  Au5  3  0.0000  0.5000  0.5000  1
]