data_TcBPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBPb2
_chemical_formula_sum   'Tc1 B1 Pb2'
_cell_volume   81.91
_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  Tc3  1  0.72  0.72  0.72  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.45  0.45  0.45  1.0
  Pb  Pb2  1  0.17  0.17  0.17  1.0

data_TcBPb2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   11.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TcBPb2
_chemical_formula_sum   'Tc3 B3 Pb6'
_cell_volume   245.72
_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  0.28  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  Pb  Pb2  3  0.0  0.0  0.55  1.0
  Pb  Pb3  3  0.0  0.0  0.83  1.0

Tc B Pb Pb
Tc B Pb Pb 0 2 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 3 o + + 0 3 + o + 0 3 + + o 0 1 o + + 0 1 + o + 0 1 + + o 0 1 + + + 1 3 o o o 1 2 o o - 1 2 o - o 1 2 - o o 2 3 o o o 2 3 o o + 2 3 o + o 2 3 + o o 
TcBPb2 crystallizes in the trigonal R3m space group. Tc(1) is bonded in a 10-coordinate geometry to three equivalent B(1), three equivalent Pb(2), and four equivalent Pb(1) atoms. All Tc(1)-B(1) bond lengths are 2.89 Å. All Tc(1)-Pb(2) bond lengths are 3.12 Å. There are three shorter (2.89 Å) and one longer (3.30 Å) Tc(1)-Pb(1) bond length. B(1) is bonded in a single-bond geometry to three equivalent Tc(1) and one Pb(2) atom. The B(1)-Pb(2) bond length is 2.03 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to four equivalent Tc(1) atoms. In the second Pb site, Pb(2) is bonded in a single-bond geometry to three equivalent Tc(1) and one B(1) atom.