data_Si2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09
_cell_length_b   8.09
_cell_length_c   8.09
_cell_angle_alpha   21.59
_cell_angle_beta   21.59
_cell_angle_gamma   21.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2PdAu
_chemical_formula_sum   'Si2 Pd1 Au1'
_cell_volume   62.83
_cell_formula_units_Z   1
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
  Si  Si2  1  0.0  0.0  0.69  1.0
  Si  Si3  1  0.0  0.0  0.01  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.85  1.0

data_Si2PdAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   3.03
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   102.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2PdAu
_chemical_formula_sum   'Si4 Pd2 Au2'
_cell_volume   125.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.0  0.0  0.31  1.0
  Si  Si1  2  0.0  0.0  0.99  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.15  1.0

Si Si Pd Au
Si Si Pd Au 0 3 o o o 1 2 o o o 1 3 o o - 2 3 o o - 
PdAuSi2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two PdAuSi2 clusters. Pd(1) is bonded in a distorted linear geometry to one Au(1) and one Si(2) atom. The Pd(1)-Au(1) bond length is 1.23 Å. The Pd(1)-Si(2) bond length is 0.07 Å. Au(1) is bonded in a linear geometry to one Pd(1) and one Si(1) atom. The Au(1)-Si(1) bond length is 1.30 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a single-bond geometry to one Au(1) atom. In the second Si site, Si(2) is bonded in a single-bond geometry to one Pd(1) atom.