data_Fe2CuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.63
_cell_length_c   8.63
_cell_angle_alpha   17.48
_cell_angle_beta   17.48
_cell_angle_gamma   17.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CuTc
_chemical_formula_sum   'Fe2 Cu1 Tc1'
_cell_volume   50.63
_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  Fe1  1  0.0  0.0  0.4  1.0
  Fe  Fe2  1  0.0  0.0  0.09  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.75  1.0

data_Fe2CuTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   2.62
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   100.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2CuTc
_chemical_formula_sum   'Fe4 Cu2 Tc2'
_cell_volume   101.27
_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  0.6  1.0
  Fe  Fe1  2  0.0  0.0  0.91  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Tc  Tc3  2  0.0  0.0  0.25  1.0

Fe Fe Cu Tc
TcFe2Cu crystallizes in the monoclinic Cm space group. Tc(1) is bonded to six equivalent Tc(1), one Fe(1), and one Cu(1) atom to form distorted TcFeCuTc6 hexagonal bipyramids that share corners with six equivalent Tc(1)FeCuTc6 hexagonal bipyramids, edges with six equivalent Fe(1)Fe7Tc hexagonal bipyramids, and edges with twelve equivalent Tc(1)FeCuTc6 hexagonal bipyramids. All Tc(1)-Tc(1) bond lengths are 2.62 Å. The Tc(1)-Fe(1) bond length is 3.00 Å. The Tc(1)-Cu(1) bond length is 2.19 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Tc(1), one Fe(2), and six equivalent Fe(1) atoms to form FeFe7Tc hexagonal bipyramids that share corners with six equivalent Fe(1)Fe7Tc hexagonal bipyramids, edges with six equivalent Tc(1)FeCuTc6 hexagonal bipyramids, and edges with twelve equivalent Fe(1)Fe7Tc hexagonal bipyramids. The Fe(1)-Fe(2) bond length is 2.64 Å. All Fe(1)-Fe(1) bond lengths are 2.62 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(1) and one Cu(1) atom. The Fe(2)-Cu(1) bond length is 0.81 Å. Cu(1) is bonded in a single-bond geometry to one Tc(1) and one Fe(2) atom.