data_Ni(TePd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   7.06
_cell_angle_alpha   126.33
_cell_angle_beta   71.07
_cell_angle_gamma   137.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni(TePd)2
_chemical_formula_sum   'Ni2 Te4 Pd4'
_cell_volume   189.18
_cell_formula_units_Z   2
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
  Ni  Ni0  1  0.0  0.0  0.29  1.0
  Ni  Ni1  1  0.0  0.0  0.88  1.0
  Te  Te2  1  0.4  0.68  0.58  1.0
  Te  Te3  1  0.78  0.06  0.0  1.0
  Te  Te4  1  0.22  0.06  0.58  1.0
  Te  Te5  1  0.97  0.68  0.0  1.0
  Pd  Pd6  1  0.34  0.8  0.58  1.0
  Pd  Pd7  1  0.34  0.2  0.0  1.0
  Pd  Pd8  1  0.85  0.55  0.58  1.0
  Pd  Pd9  1  0.85  0.94  0.0  1.0

data_Ni(TePd)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.17
_cell_length_b   6.37
_cell_length_c   7.06
_cell_angle_alpha   116.83
_cell_angle_beta   111.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni(TePd)2
_chemical_formula_sum   'Ni2 Te4 Pd4'
_cell_volume   189.18
_cell_formula_units_Z   2
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
  Ni  Ni0  1  0.29  0.0  0.29  1.0
  Ni  Ni1  1  0.88  0.0  0.88  1.0
  Te  Te2  1  0.32  0.29  0.29  1.0
  Te  Te3  1  0.52  0.16  0.74  1.0
  Te  Te4  1  0.9  0.72  0.31  1.0
  Te  Te5  1  0.94  0.72  0.72  1.0
  Pd  Pd6  1  0.04  0.3  0.89  1.0
  Pd  Pd7  1  0.06  0.91  0.91  1.0
  Pd  Pd8  1  0.78  0.53  0.12  1.0
  Pd  Pd9  1  0.8  0.14  0.14  1.0

Ni Ni Te Te Te Te Pd Pd Pd Pd
Pd2NiTe2 crystallizes in the triclinic P1 space group. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one Te(1) and one Te(3) atom. The Pd(1)-Te(1) bond length is 1.25 Å. The Pd(1)-Te(3) bond length is 2.51 Å. In the second Pd site, Pd(2) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), and one Te(3) atom. The Pd(2)-Ni(1) bond length is 2.69 Å. The Pd(2)-Ni(2) bond length is 1.85 Å. The Pd(2)-Te(3) bond length is 2.71 Å. In the third Pd site, Pd(3) is bonded in a distorted single-bond geometry to one Ni(2) and two equivalent Te(3) atoms. The Pd(3)-Ni(2) bond length is 2.06 Å. There is one shorter (2.48 Å) and one longer (3.04 Å) Pd(3)-Te(3) bond length. In the fourth Pd site, Pd(4) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), and one Te(2) atom. The Pd(4)-Ni(1) bond length is 2.30 Å. The Pd(4)-Ni(2) bond length is 1.12 Å. The Pd(4)-Te(2) bond length is 1.25 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one Pd(2), one Pd(4), one Te(1), one Te(3), and one Te(4) atom. The Ni(1)-Te(1) bond length is 2.74 Å. The Ni(1)-Te(3) bond length is 2.61 Å. The Ni(1)-Te(4) bond length is 1.85 Å. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Pd(2), one Pd(3), one Pd(4), and one Te(3) atom. The Ni(2)-Te(3) bond length is 2.20 Å. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to one Pd(1) and one Ni(1) atom. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one Pd(4) atom. In the third Te site, Te(3) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(2), two equivalent Pd(3), one Ni(1), and one Ni(2) atom. In the fourth Te site, Te(4) is bonded in a distorted single-bond geometry to one Ni(1) atom.