data_In2TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TePd
_chemical_formula_sum   'In2 Te1 Pd1'
_cell_volume   97.63
_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
  In  In0  1  0.65  0.65  0.65  1.0
  In  In1  1  0.83  0.83  0.83  1.0
  Te  Te3  1  0.48  0.48  0.48  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_In2TePd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In2TePd
_chemical_formula_sum   'In6 Te3 Pd3'
_cell_volume   292.88
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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
  In  In0  3  0.0  0.0  0.17  1.0
  In  In1  3  0.0  0.0  0.35  1.0
  Te  Te2  3  0.0  0.0  0.52  1.0
  Pd  Pd3  3  0.0  0.0  0.0  1.0

In In Te Pd
PdIn2Te crystallizes in the trigonal R3m space group. Pd(1) is bonded to one In(2) and three equivalent In(1) atoms to form distorted PdIn4 trigonal pyramids that share  a cornercorner with one In(1)InTePd3 trigonal bipyramid, corners with three equivalent In(2)InTe3Pd trigonal bipyramids, corners with six equivalent Pd(1)In4 trigonal pyramids, and edges with three equivalent Te(1)In4 trigonal pyramids. The Pd(1)-In(2) bond length is 2.19 Å. All Pd(1)-In(1) bond lengths are 2.99 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to three equivalent Pd(1), one In(2), and one Te(1) atom to form distorted InInTePd3 trigonal bipyramids that share corners with six equivalent In(1)InTePd3 trigonal bipyramids,  a cornercorner with one Pd(1)In4 trigonal pyramid, corners with three equivalent Te(1)In4 trigonal pyramids, and edges with three equivalent In(2)InTe3Pd trigonal bipyramids. The In(1)-In(2) bond length is 2.19 Å. The In(1)-Te(1) bond length is 2.19 Å. In the second In site, In(2) is bonded to one Pd(1), one In(1), and three equivalent Te(1) atoms to form distorted InInTe3Pd trigonal bipyramids that share corners with six equivalent In(2)InTe3Pd trigonal bipyramids,  a cornercorner with one Te(1)In4 trigonal pyramid, corners with three equivalent Pd(1)In4 trigonal pyramids, and edges with three equivalent In(1)InTePd3 trigonal bipyramids. All In(2)-Te(1) bond lengths are 2.99 Å. Te(1) is bonded to one In(1) and three equivalent In(2) atoms to form distorted TeIn4 trigonal pyramids that share  a cornercorner with one In(2)InTe3Pd trigonal bipyramid, corners with three equivalent In(1)InTePd3 trigonal bipyramids, corners with six equivalent Te(1)In4 trigonal pyramids, and edges with three equivalent Pd(1)In4 trigonal pyramids.