data_Te2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   121.77
_cell_angle_beta   120.17
_cell_angle_gamma   88.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2IrPd
_chemical_formula_sum   'Te2 Ir1 Pd1'
_cell_volume   78.01
_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  0.0  0.4  0.72  1.0
  Te  Te3  1  0.35  0.0  0.74  1.0
  Ir  Ir0  1  0.0  0.0  0.46  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Te2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   4.81
_cell_length_c   4.82
_cell_angle_alpha   119.92
_cell_angle_beta   119.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2IrPd
_chemical_formula_sum   'Te2 Ir1 Pd1'
_cell_volume   78.01
_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  0.0  0.74  0.39  1.0
  Te  Te1  1  0.6  0.32  0.32  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.46  0.46  1.0

Te Te Ir Pd
IrPdTe2 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a distorted water-like geometry to one Pd(1), one Te(1), and one Te(2) atom. The Ir(1)-Pd(1) bond length is 2.21 Å. The Ir(1)-Te(1) bond length is 1.67 Å. The Ir(1)-Te(2) bond length is 1.53 Å. Pd(1) is bonded in a 4-coordinate geometry to one Ir(1), one Te(1), and two equivalent Te(2) atoms. The Pd(1)-Te(1) bond length is 2.45 Å. There is one shorter (2.55 Å) and one longer (2.75 Å) Pd(1)-Te(2) bond length. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 1-coordinate geometry to one Ir(1) and one Pd(1) atom. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one Ir(1) and two equivalent Pd(1) atoms.