data_In2RhPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2RhPb
_chemical_formula_sum   'In2 Rh1 Pb1'
_cell_volume   90.46
_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  0.78  0.78  0.78  1.0
  In  In1  1  0.34  0.34  0.34  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.56  0.56  0.56  1.0

data_In2RhPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   12.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In2RhPb
_chemical_formula_sum   'In6 Rh3 Pb3'
_cell_volume   271.39
_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  0.22  1.0
  In  In1  3  0.0  0.0  0.66  1.0
  Rh  Rh2  3  0.0  0.0  0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.44  1.0

In In Rh Pb
In In Rh Pb 0 2 + o + 0 2 o + + 0 2 + + o 0 2 + + + 0 3 o o o 0 3 o o + 0 3 + o o 0 3 o + o 0 1 o o + 0 1 o + o 0 1 + o o 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 1 2 o o + 1 2 o + o 1 2 + o o 2 3 - - o 2 3 - o - 2 3 o - - 
RhIn2Pb is Heusler structured and crystallizes in the trigonal R3m space group. Rh(1) is bonded in a 10-coordinate geometry to three equivalent In(2), four equivalent In(1), and three equivalent Pb(1) atoms. All Rh(1)-In(2) bond lengths are 2.91 Å. There is one shorter (2.70 Å) and three longer (3.24 Å) Rh(1)-In(1) bond lengths. All Rh(1)-Pb(1) bond lengths are 3.18 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 2-coordinate geometry to four equivalent Rh(1) and one Pb(1) atom. The In(1)-Pb(1) bond length is 2.70 Å. In the second In site, In(2) is bonded in a 7-coordinate geometry to three equivalent Rh(1) and four equivalent Pb(1) atoms. There is one shorter (2.70 Å) and three longer (3.24 Å) In(2)-Pb(1) bond lengths. Pb(1) is bonded in a 2-coordinate geometry to three equivalent Rh(1), one In(1), and four equivalent In(2) atoms.