data_FeTcB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   2.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcB2
_chemical_formula_sum   'Fe1 Tc1 B2'
_cell_volume   36.4
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.85  0.85  0.0  1.0
  B  B0  1  0.85  0.0  0.33  1.0
  B  B1  1  0.0  0.85  0.33  1.0

data_FeTcB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   2.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeTcB2
_chemical_formula_sum   'Fe2 Tc2 B4'
_cell_volume   72.8
_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
  Fe  Fe0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.35  0.5  0.0  1.0
  B  B2  4  0.42  0.42  0.33  1.0

Fe Tc B B
TcFeB2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TcFeB2 clusters. Tc(1) is bonded in a distorted single-bond geometry to one Fe(1) and two equivalent B(1) atoms. The Tc(1)-Fe(1) bond length is 0.80 Å. Both Tc(1)-B(1) bond lengths are 1.05 Å. Fe(1) is bonded in a distorted single-bond geometry to one Tc(1) and two equivalent B(1) atoms. Both Fe(1)-B(1) bond lengths are 1.05 Å. B(1) is bonded in a 3-coordinate geometry to one Tc(1), one Fe(1), and one B(1) atom. The B(1)-B(1) bond length is 0.80 Å.