data_Pd2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2AuSe
_chemical_formula_sum   'Pd2 Au1 Se1'
_cell_volume   68.03
_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  0.65  0.29  0.5  1.0
  Pd  Pd2  1  0.65  0.71  0.5  1.0
  Au  Au0  1  0.31  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Pd2AuSe
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.01
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   Pd2AuSe
_chemical_formula_sum   'Pd2 Au1 Se1'
_cell_volume   68.07
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  Pd0  2  0.5  0.29  0.35  1.0
  Au  Au1  1  0.0  0.0  0.69  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

Pd Pd Au Se
Pd2AuSe crystallizes in the monoclinic Pm space group. Pd(1) is bonded in a 5-coordinate geometry to one Pd(1), two equivalent Au(1), and two equivalent Se(1) atoms. The Pd(1)-Pd(1) bond length is 2.00 Å. There is one shorter (2.62 Å) and one longer (2.63 Å) Pd(1)-Au(1) bond length. There is one shorter (2.62 Å) and one longer (2.63 Å) Pd(1)-Se(1) bond length. Au(1) is bonded in a 5-coordinate geometry to four equivalent Pd(1) and one Se(1) atom. The Au(1)-Se(1) bond length is 1.45 Å. Se(1) is bonded in a 5-coordinate geometry to four equivalent Pd(1) and one Au(1) atom.