data_Ge4PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge4PdSe
_chemical_formula_sum   'Ge4 Pd1 Se1'
_cell_volume   117.2
_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
  Ge  Ge0  1  0.85  0.85  0.92  1.0
  Ge  Ge1  1  0.85  0.92  0.85  1.0
  Ge  Ge2  1  0.92  0.85  0.85  1.0
  Ge  Ge3  1  0.92  0.92  0.92  1.0
  Pd  Pd4  1  0.83  0.83  0.83  1.0
  Se  Se5  1  0.0  0.0  0.0  1.0

data_Ge4PdSe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   13.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ge4PdSe
_chemical_formula_sum   'Ge12 Pd3 Se3'
_cell_volume   351.6
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ge  Ge0  9  0.02  0.04  0.13  1.0
  Ge  Ge1  3  0.0  0.0  0.08  1.0
  Pd  Pd2  3  0.0  0.0  0.17  1.0
  Se  Se3  3  0.0  0.0  0.0  1.0

Ge Ge Ge Ge Pd Se
PdGe3GeSe is diamond structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three germanium(ii) selenide molecules and three PdGe3 clusters. In each PdGe3 cluster, Pd(1) is bonded in a 3-coordinate geometry to three equivalent Ge(1) atoms. All Pd(1)-Ge(1) bond lengths are 0.67 Å. Ge(1) is bonded in a 2-coordinate geometry to one Pd(1) and two equivalent Ge(1) atoms. Both Ge(1)-Ge(1) bond lengths are 0.34 Å.