data_VFe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   2.56
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Tc
_chemical_formula_sum   'V1 Fe2 Tc1'
_cell_volume   48.89
_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
  V  V3  1  0.0  0.0  0.7  1.0
  Fe  Fe0  1  0.75  0.0  0.32  1.0
  Fe  Fe1  1  0.0  0.0  0.76  1.0
  Tc  Tc2  1  0.75  0.0  0.87  1.0

data_VFe2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   2.56
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Tc
_chemical_formula_sum   'V1 Fe2 Tc1'
_cell_volume   48.89
_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
  V  V0  1  0.0  0.0  0.7  1.0
  Fe  Fe1  1  0.0  0.0  0.76  1.0
  Fe  Fe2  1  0.75  0.0  0.32  1.0
  Tc  Tc3  1  0.75  0.0  0.87  1.0

V Fe Fe Tc
V Fe Fe Tc 0 2 o o o 0 1 - o o 1 1 o + o 1 1 + o o 2 3 - o o 
VTcFe2 crystallizes in the triclinic P1 space group. V(1) is bonded in a single-bond geometry to one Fe(1) and one Fe(2) atom. The V(1)-Fe(1) bond length is 2.91 Å. The V(1)-Fe(2) bond length is 0.43 Å. Tc(1) is bonded in a single-bond geometry to one Fe(1) and one Fe(2) atom. The Tc(1)-Fe(1) bond length is 3.41 Å. The Tc(1)-Fe(2) bond length is 1.00 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one V(1), one Tc(1), and four equivalent Fe(1) atoms. All Fe(1)-Fe(1) bond lengths are 2.56 Å. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one V(1) and one Tc(1) atom.