data_[Sn2Pd8Au4]
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 [P1]
_cell_length_a [5.7173]
_cell_length_b [6.5686]
_cell_length_c [7.0670]
_cell_angle_alpha [111.6695]
_cell_angle_beta [92.9607]
_cell_angle_gamma [104.1650]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sn(Pd2Au)2]
_chemical_formula_sum '[Sn2 Pd8 Au4]'
_cell_volume [236.1542]
_cell_formula_units_Z [2]
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  1  0.7926  0.4833  0.1062  1
  Sn  Sn1  1  0.9769  0.0107  0.9450  1
  Pd  Pd2  1  0.0051  0.3177  0.3604  1
  Pd  Pd3  1  0.1006  0.6075  0.8048  1
  Pd  Pd4  1  0.1514  0.8883  0.2333  1
  Pd  Pd5  1  0.2839  0.4517  0.0832  1
  Pd  Pd6  1  0.4781  0.0463  0.9441  1
  Pd  Pd7  1  0.5097  0.3251  0.3709  1
  Pd  Pd8  1  0.5980  0.6080  0.8115  1
  Pd  Pd9  1  0.8712  0.7544  0.5266  1
  Au  Au10  1  0.2357  0.1834  0.6518  1
  Au  Au11  1  0.3683  0.7407  0.5201  1
  Au  Au12  1  0.6406  0.8956  0.2353  1
  Au  Au13  1  0.7378  0.1873  0.6568  1
]