data_Pd2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27
_cell_length_b   8.27
_cell_length_c   8.27
_cell_angle_alpha   21.96
_cell_angle_beta   21.96
_cell_angle_gamma   21.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2AuSe
_chemical_formula_sum   'Pd2 Au1 Se1'
_cell_volume   69.25
_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
  Pd  Pd1  1  0.0  0.0  0.19  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.1  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Pd2AuSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   3.15
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   102.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pd2AuSe
_chemical_formula_sum   'Pd4 Au2 Se2'
_cell_volume   138.5
_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
  Pd  Pd0  2  -0.0  0.0  0.81  1.0
  Pd  Pd1  2  -0.0  0.0  1.0  1.0
  Au  Au2  2  -0.0  0.0  0.9  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Pd2AuSe is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Pd2AuSe clusters. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one Au(1) atom. The Pd(1)-Au(1) bond length is 0.77 Å. In the second Pd site, Pd(2) is bonded in a linear geometry to one Au(1) and one Se(1) atom. The Pd(2)-Au(1) bond length is 0.77 Å. The Pd(2)-Se(1) bond length is 0.01 Å. Au(1) is bonded in a linear geometry to one Pd(1) and one Pd(2) atom. Se(1) is bonded in a single-bond geometry to one Pd(2) atom.