data_TcBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBPd2
_chemical_formula_sum   'Tc1 B1 Pd2'
_cell_volume   51.06
_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  0.0  0.0  0.54  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.34  0.34  0.35  1.0
  Pd  Pd2  1  0.34  0.34  0.72  1.0

data_TcBPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcBPd2
_chemical_formula_sum   'Tc2 B2 Pd4'
_cell_volume   102.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Tc0  2  0.0  0.0  0.54  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  2  0.34  0.0  0.35  1.0
  Pd  Pd3  2  0.34  0.0  0.72  1.0

Tc B Pd Pd
Tc B Pd Pd 0 2 o o o 0 3 o o o 0 3 o - o 0 3 - o o 1 3 - o - 1 3 o - - 1 3 o o - 1 1 + o o 1 1 o + o 1 2 o o o 
TcPd2B crystallizes in the monoclinic Cm space group. Tc(1) is bonded in a distorted L-shaped geometry to one Pd(1) and one Pd(2) atom. The Tc(1)-Pd(1) bond length is 1.86 Å. The Tc(1)-Pd(2) bond length is 1.86 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one Tc(1) and one B(1) atom. The Pd(1)-B(1) bond length is 2.80 Å. In the second Pd site, Pd(2) is bonded in a 1-coordinate geometry to one Tc(1) and three equivalent B(1) atoms. There is one shorter (2.35 Å) and two longer (2.79 Å) Pd(2)-B(1) bond lengths. B(1) is bonded in a 4-coordinate geometry to one Pd(1) and three equivalent Pd(2) atoms.