data_Tc2RhPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2RhPb
_chemical_formula_sum   'Tc2 Rh1 Pb1'
_cell_volume   67.4
_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
  Tc  Tc2  1  0.62  0.62  0.62  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.23  0.23  0.23  1.0
  Pb  Pb0  1  0.85  0.85  0.85  1.0

data_Tc2RhPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   11.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tc2RhPb
_chemical_formula_sum   'Tc6 Rh3 Pb3'
_cell_volume   202.2
_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
  Tc  Tc0  3  0.0  0.0  -0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.38  1.0
  Rh  Rh2  3  0.0  0.0  0.77  1.0
  Pb  Pb3  3  0.0  0.0  0.15  1.0

Tc Tc Rh Pb
Tc Tc Rh Pb 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 1 3 - - - 1 2 o o o 1 2 o o - 1 2 - o o 1 2 o - o 2 3 - - o 2 3 - o - 2 3 o - - 
Tc2RhPb is Heusler structured and crystallizes in the trigonal R3m space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 10-coordinate geometry to three equivalent Tc(2), three equivalent Rh(1), and four equivalent Pb(1) atoms. All Tc(1)-Tc(2) bond lengths are 2.70 Å. All Tc(1)-Rh(1) bond lengths are 2.70 Å. There is one shorter (2.57 Å) and three longer (2.88 Å) Tc(1)-Pb(1) bond lengths. In the second Tc site, Tc(2) is bonded in a distorted single-bond geometry to three equivalent Tc(1), four equivalent Rh(1), and one Pb(1) atom. There is one shorter (2.57 Å) and three longer (2.88 Å) Tc(2)-Rh(1) bond lengths. The Tc(2)-Pb(1) bond length is 1.73 Å. Rh(1) is bonded in a 10-coordinate geometry to three equivalent Tc(1), four equivalent Tc(2), and three equivalent Pb(1) atoms. All Rh(1)-Pb(1) bond lengths are 2.70 Å. Pb(1) is bonded in a distorted single-bond geometry to one Tc(2), four equivalent Tc(1), and three equivalent Rh(1) atoms.