data_Al2FeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2FeTc
_chemical_formula_sum   'Al2 Fe1 Tc1'
_cell_volume   52.02
_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
  Al  Al0  1  0.46  0.46  0.7  1.0
  Al  Al1  1  0.46  0.46  0.38  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.04  1.0

data_Al2FeTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2FeTc
_chemical_formula_sum   'Al4 Fe2 Tc2'
_cell_volume   104.05
_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
  Al  Al0  2  0.46  0.0  0.38  1.0
  Al  Al1  2  0.46  0.0  0.7  1.0
  Fe  Fe2  2  0.0  0.0  0.0  1.0
  Tc  Tc3  2  0.0  0.0  0.04  1.0

Al Al Fe Tc
TcFeAl2 crystallizes in the monoclinic Cm space group. Tc(1) is bonded in a single-bond geometry to one Fe(1) and four equivalent Al(2) atoms. The Tc(1)-Fe(1) bond length is 0.25 Å. There are a spread of Tc(1)-Al(2) bond distances ranging from 2.81-3.03 Å. Fe(1) is bonded in a single-bond geometry to one Tc(1) and four equivalent Al(1) atoms. There are a spread of Fe(1)-Al(1) bond distances ranging from 2.63-2.87 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1), one Al(2), and four equivalent Al(1) atoms. The Al(1)-Al(2) bond length is 1.96 Å. All Al(1)-Al(1) bond lengths are 2.92 Å. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to four equivalent Tc(1), one Al(1), and four equivalent Al(2) atoms. All Al(2)-Al(2) bond lengths are 2.92 Å.