data_Ge2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PdSe
_chemical_formula_sum   'Ge2 Pd1 Se1'
_cell_volume   74.36
_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  0.64  0.64  0.77  1.0
  Ge  Ge1  1  0.0  0.0  0.02  1.0
  Pd  Pd2  1  0.64  0.64  0.4  1.0
  Se  Se3  1  0.0  0.0  0.18  1.0

data_Ge2PdSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge2PdSe
_chemical_formula_sum   'Ge4 Pd2 Se2'
_cell_volume   148.72
_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
  Ge  Ge0  2  0.0  0.0  0.02  1.0
  Ge  Ge1  2  0.14  0.5  0.77  1.0
  Pd  Pd2  2  0.14  0.5  0.4  1.0
  Se  Se3  2  0.0  0.0  0.18  1.0

Ge Ge Pd Se
PdGe2Se crystallizes in the monoclinic Cm space group. Pd(1) is bonded in a 4-coordinate geometry to one Ge(1) and three equivalent Se(1) atoms. The Pd(1)-Ge(1) bond length is 2.60 Å. There is one shorter (2.29 Å) and two longer (2.85 Å) Pd(1)-Se(1) bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to one Pd(1) and three equivalent Ge(2) atoms. There is one shorter (2.41 Å) and two longer (2.95 Å) Ge(1)-Ge(2) bond lengths. In the second Ge site, Ge(2) is bonded in a single-bond geometry to three equivalent Ge(1) and one Se(1) atom. The Ge(2)-Se(1) bond length is 1.07 Å. Se(1) is bonded in a distorted single-bond geometry to three equivalent Pd(1) and one Ge(2) atom.