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 [5.7005]
_cell_length_b [6.5776]
_cell_length_c [7.1015]
_cell_angle_alpha [111.6266]
_cell_angle_beta [92.8734]
_cell_angle_gamma [104.2749]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sn(Pd2Au)2]
_chemical_formula_sum '[Sn2 Pd8 Au4]'
_cell_volume [236.9304]
_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  0.4830  0.1061  1.0
  Sn  Sn1  1  0.9770  0.0111  0.9452  1.0
  Pd  Pd2  1  0.0053  0.3174  0.3606  1.0
  Pd  Pd3  1  0.1002  0.6071  0.8042  1.0
  Pd  Pd4  1  0.1516  0.8886  0.2333  1.0
  Pd  Pd5  1  0.2839  0.4518  0.0832  1.0
  Pd  Pd6  1  0.4784  0.0464  0.9443  1.0
  Pd  Pd7  1  0.5096  0.3248  0.3713  1.0
  Pd  Pd8  1  0.5979  0.6079  0.8113  1.0
  Pd  Pd9  1  0.8709  0.7545  0.5264  1.0
  Au  Au10  1  0.2355  0.1836  0.6514  1.0
  Au  Au11  1  0.3684  0.7408  0.5202  1.0
  Au  Au12  1  0.6410  0.8958  0.2356  1.0
  Au  Au13  1  0.7376  0.1873  0.6568  1.0
]