data_Si2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2PdAu
_chemical_formula_sum   'Si2 Pd1 Au1'
_cell_volume   63.78
_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  0.59  0.59  0.46  1.0
  Si  Si3  1  0.59  0.59  0.83  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.14  1.0

data_Si2PdAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2PdAu
_chemical_formula_sum   'Si4 Pd2 Au2'
_cell_volume   127.55
_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  0.09  0.5  0.46  1.0
  Si  Si1  2  0.09  0.5  0.83  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.14  1.0

Si Si Pd Au
PdAuSi2 crystallizes in the monoclinic Cm space group. Pd(1) is bonded in a distorted single-bond geometry to one Au(1) and four equivalent Si(2) atoms. The Pd(1)-Au(1) bond length is 0.89 Å. There are a spread of Pd(1)-Si(2) bond distances ranging from 2.13-2.88 Å. Au(1) is bonded in a single-bond geometry to one Pd(1) and three equivalent Si(1) atoms. There is one shorter (2.70 Å) and two longer (3.03 Å) Au(1)-Si(1) bond lengths. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to three equivalent Au(1) and one Si(2) atom. The Si(1)-Si(2) bond length is 2.33 Å. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to four equivalent Pd(1) and one Si(1) atom.