data_TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   147.4
_cell_angle_beta   70.6
_cell_angle_gamma   119.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcB
_chemical_formula_sum   'Tc3 B3'
_cell_volume   62.15
_cell_formula_units_Z   3
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  0.67  0.45  1.0
  Tc  Tc4  1  0.0  0.0  0.62  1.0
  Tc  Tc5  1  0.44  0.5  0.87  1.0
  B  B0  1  0.0  0.0  0.94  1.0
  B  B1  1  0.0  0.15  0.39  1.0
  B  B2  1  0.0  0.21  0.39  1.0

data_TcB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.68
_cell_angle_beta   73.7
_cell_angle_gamma   73.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcB
_chemical_formula_sum   'Tc3 B3'
_cell_volume   62.15
_cell_formula_units_Z   3
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  Tc0  1  0.13  0.44  0.36  1.0
  Tc  Tc1  1  0.38  0.0  0.62  1.0
  Tc  Tc2  1  0.55  0.0  0.78  1.0
  B  B3  1  0.06  0.0  0.94  1.0
  B  B4  1  0.61  0.0  0.17  1.0
  B  B5  1  0.61  0.0  0.24  1.0

Tc Tc Tc B B B
TcB crystallizes in the triclinic P1 space group. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 3-coordinate geometry to one Tc(2) and two equivalent B(1) atoms. The Tc(1)-Tc(2) bond length is 1.06 Å. There is one shorter (1.41 Å) and one longer (1.88 Å) Tc(1)-B(1) bond length. In the second Tc site, Tc(2) is bonded in a 4-coordinate geometry to one Tc(1), one Tc(3), one B(1), and one B(2) atom. The Tc(2)-Tc(3) bond length is 2.00 Å. The Tc(2)-B(1) bond length is 1.65 Å. The Tc(2)-B(2) bond length is 1.86 Å. In the third Tc site, Tc(3) is bonded in a 3-coordinate geometry to one Tc(2), one B(1), and one B(2) atom. The Tc(3)-B(1) bond length is 2.61 Å. The Tc(3)-B(2) bond length is 2.53 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 4-coordinate geometry to one Tc(2), one Tc(3), two equivalent Tc(1), and one B(3) atom. The B(1)-B(3) bond length is 1.49 Å. In the second B site, B(2) is bonded in a distorted single-bond geometry to one Tc(2), one Tc(3), and one B(3) atom. The B(2)-B(3) bond length is 0.35 Å. In the third B site, B(3) is bonded in a distorted single-bond geometry to one B(1) and one B(2) atom.