data_NbCo2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Tc
_chemical_formula_sum   'Nb1 Co2 Tc1'
_cell_volume   53.63
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.59  0.59  0.93  1.0
  Co  Co1  1  0.59  0.59  0.37  1.0
  Tc  Tc3  1  0.0  0.0  0.65  1.0

data_NbCo2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCo2Tc
_chemical_formula_sum   'Nb2 Co4 Tc2'
_cell_volume   107.26
_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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.09  0.5  0.37  1.0
  Co  Co2  2  0.09  0.5  0.93  1.0
  Tc  Tc3  2  0.0  0.0  0.65  1.0

Nb Co Co Tc
Nb Co Co Tc 0 1 - - - 0 1 o - - 0 1 - o - 0 3 o o - 0 2 o - o 0 2 - o o 0 2 - - o 1 3 + + o 1 2 o o + 1 2 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 
NbTcCo2 crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a 2-coordinate geometry to one Tc(1), one Co(1), and four equivalent Co(2) atoms. The Nb(1)-Tc(1) bond length is 1.85 Å. The Nb(1)-Co(1) bond length is 1.88 Å. There are a spread of Nb(1)-Co(2) bond distances ranging from 2.69-3.30 Å. Tc(1) is bonded in a distorted single-bond geometry to one Nb(1) and four equivalent Co(2) atoms. There are a spread of Tc(1)-Co(2) bond distances ranging from 2.38-3.05 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 1-coordinate geometry to one Nb(1) and two equivalent Co(2) atoms. There is one shorter (2.30 Å) and one longer (3.00 Å) Co(1)-Co(2) bond length. In the second Co site, Co(2) is bonded in a 14-coordinate geometry to four equivalent Nb(1), four equivalent Tc(1), two equivalent Co(1), and four equivalent Co(2) atoms. All Co(2)-Co(2) bond lengths are 3.18 Å.