data_In2GePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GePd
_chemical_formula_sum   'In2 Ge1 Pd1'
_cell_volume   82.97
_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  In1  1  0.19  0.19  0.19  1.0
  In  In2  1  0.73  0.73  0.73  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.46  0.46  0.46  1.0

data_In2GePd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   11.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In2GePd
_chemical_formula_sum   'In6 Ge3 Pd3'
_cell_volume   248.91
_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  0.27  1.0
  In  In1  3  0.0  0.0  0.81  1.0
  Ge  Ge2  3  0.0  0.0  0.0  1.0
  Pd  Pd3  3  0.0  0.0  0.54  1.0

In In Ge Pd
In In Ge Pd 0 2 o o o 0 2 o o + 0 2 + o o 0 2 o + o 0 1 - - o 0 1 - o - 0 1 o - - 0 3 - o o 0 3 o - o 0 3 o o - 0 3 o o o 1 3 o o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 o + + 1 2 + o + 1 2 + + o 1 2 + + + 2 3 - o o 2 3 o - o 2 3 o o - 
PdIn2Ge is Heusler structured and crystallizes in the trigonal R3m space group. Pd(1) is bonded in a 8-coordinate geometry to four equivalent In(1) and four equivalent In(2) atoms. There are three shorter (2.93 Å) and one longer (3.23 Å) Pd(1)-In(1) bond length. There are three shorter (2.93 Å) and one longer (3.23 Å) Pd(1)-In(2) bond length. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 1-coordinate geometry to four equivalent Pd(1) and one Ge(1) atom. The In(1)-Ge(1) bond length is 2.31 Å. In the second In site, In(2) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Ge(1) atoms. There are three shorter (2.93 Å) and one longer (3.23 Å) In(2)-Ge(1) bond length. Ge(1) is bonded in a 1-coordinate geometry to one In(1) and four equivalent In(2) atoms.