data_TcPb4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPb4Au
_chemical_formula_sum   'Tc1 Pb4 Au1'
_cell_volume   173.57
_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  Tc5  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.32  0.32  0.54  1.0
  Pb  Pb2  1  0.32  0.54  0.32  1.0
  Pb  Pb3  1  0.54  0.32  0.32  1.0
  Pb  Pb4  1  0.54  0.54  0.54  1.0
  Au  Au0  1  0.21  0.21  0.21  1.0

data_TcPb4Au
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   15.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TcPb4Au
_chemical_formula_sum   'Tc3 Pb12 Au3'
_cell_volume   520.71
_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
  Pb  Pb1  9  0.07  0.15  0.61  1.0
  Pb  Pb2  3  0.0  0.0  0.46  1.0
  Au  Au3  3  0.0  0.0  0.79  1.0

Tc Pb Pb Pb Pb Au
Tc Pb Pb Pb Pb Au 0 3 - o o 0 2 o - o 0 1 o o - 0 5 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
TcAuPb4 crystallizes in the trigonal R3m space group. Tc(1) is bonded in a distorted tetrahedral geometry to one Au(1) and three equivalent Pb(1) atoms. The Tc(1)-Au(1) bond length is 3.28 Å. All Tc(1)-Pb(1) bond lengths are 2.95 Å. Au(1) is bonded in a 4-coordinate geometry to one Tc(1) and three equivalent Pb(1) atoms. All Au(1)-Pb(1) bond lengths are 2.83 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one Tc(1), one Au(1), one Pb(2), and two equivalent Pb(1) atoms. The Pb(1)-Pb(2) bond length is 2.39 Å. Both Pb(1)-Pb(1) bond lengths are 1.38 Å. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to three equivalent Pb(1) atoms.