data_TePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd2
_chemical_formula_sum   'Te4 Pd8'
_cell_volume   259.91
_cell_formula_units_Z   4
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  Te8  1  0.19  0.0  0.19  1.0
  Te  Te9  1  0.0  0.19  0.19  1.0
  Te  Te10  1  0.0  0.0  0.0  1.0
  Te  Te11  1  0.19  0.19  0.0  1.0
  Pd  Pd0  1  0.82  0.01  0.56  1.0
  Pd  Pd1  1  0.56  0.37  0.82  1.0
  Pd  Pd2  1  0.01  0.56  0.82  1.0
  Pd  Pd3  1  0.37  0.82  0.56  1.0
  Pd  Pd4  1  0.56  0.82  0.01  1.0
  Pd  Pd5  1  0.82  0.56  0.37  1.0
  Pd  Pd6  1  0.37  0.37  0.37  1.0
  Pd  Pd7  1  0.01  0.01  0.01  1.0

data_TePd2
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.03
_cell_length_b   9.03
_cell_length_c   11.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   TePd2
_chemical_formula_sum   'Te12 Pd24'
_cell_volume   779.72
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  Te  Te0  9  0.06  0.94  0.13  1.0
  Te  Te1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  9  0.02  0.24  0.8  1.0
  Pd  Pd3  9  0.12  0.69  0.25  1.0
  Pd  Pd4  3  0.0  0.0  0.01  1.0
  Pd  Pd5  3  0.0  0.0  0.37  1.0

Te Te Te Te Pd Pd Pd Pd Pd Pd Pd Pd
Pd2Te crystallizes in the trigonal R3 space group. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to one Te(1) and one Te(2) atom. The Pd(1)-Te(1) bond length is 2.88 Å. The Pd(1)-Te(2) bond length is 3.02 Å. In the second Pd site, Pd(2) is bonded in a 1-coordinate geometry to one Pd(3) and one Te(1) atom. The Pd(2)-Pd(3) bond length is 3.11 Å. The Pd(2)-Te(1) bond length is 2.88 Å. In the third Pd site, Pd(3) is bonded in a distorted hexagonal planar geometry to three equivalent Pd(2) and three equivalent Te(1) atoms. All Pd(3)-Te(1) bond lengths are 2.88 Å. In the fourth Pd site, Pd(4) is bonded in a single-bond geometry to one Te(2) and three equivalent Te(1) atoms. The Pd(4)-Te(2) bond length is 0.11 Å. All Pd(4)-Te(1) bond lengths are 1.63 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 1-coordinate geometry to one Pd(1), one Pd(2), one Pd(3), and one Pd(4) atom. In the second Te site, Te(2) is bonded in a single-bond geometry to one Pd(4) and three equivalent Pd(1) atoms.