data_Te2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   10.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PdSe
_chemical_formula_sum   'Te2 Pd1 Se1'
_cell_volume   95.25
_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
  Te  Te2  1  0.94  0.0  0.04  1.0
  Te  Te3  1  0.94  0.0  0.14  1.0
  Pd  Pd0  1  0.0  0.0  0.09  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Te2PdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   10.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PdSe
_chemical_formula_sum   'Te2 Pd1 Se1'
_cell_volume   95.25
_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
  Te  Te0  1  0.94  0.0  0.04  1.0
  Te  Te1  1  0.94  0.0  0.14  1.0
  Pd  Pd2  1  0.0  0.0  0.09  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Te Te Pd Se
Te Te Pd Se 0 3 + o o 0 2 + o o 1 2 + o o 
PdTe2Se crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PdTe2Se cluster. Pd(1) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. The Pd(1)-Te(1) bond length is 0.58 Å. The Pd(1)-Te(2) bond length is 0.58 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted bent 150 degrees geometry to one Pd(1) and one Se(1) atom. The Te(1)-Se(1) bond length is 0.42 Å. In the second Te site, Te(2) is bonded in a single-bond geometry to one Pd(1) atom. Se(1) is bonded in a single-bond geometry to one Te(1) atom.