data_Nb2CoTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CoTc
_chemical_formula_sum   'Nb2 Co1 Tc1'
_cell_volume   61.88
_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  Nb1  1  0.71  0.71  0.71  1.0
  Nb  Nb2  1  0.57  0.57  0.57  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.14  0.14  0.14  1.0

data_Nb2CoTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   10.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Nb2CoTc
_chemical_formula_sum   'Nb6 Co3 Tc3'
_cell_volume   185.63
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.29  1.0
  Nb  Nb1  3  0.0  0.0  0.43  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Tc  Tc3  3  0.0  0.0  0.86  1.0

Nb Nb Co Tc
Nb Nb Co Tc 0 1 o o o 2 3 o o o 
Nb2TcCo crystallizes in the trigonal R3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted single-bond geometry to one Nb(2) atom. The Nb(1)-Nb(2) bond length is 1.51 Å. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to one Nb(1), three equivalent Tc(1), and three equivalent Co(1) atoms. All Nb(2)-Tc(1) bond lengths are 2.77 Å. All Nb(2)-Co(1) bond lengths are 2.77 Å. Tc(1) is bonded in a distorted single-bond geometry to three equivalent Nb(2) and one Co(1) atom. The Tc(1)-Co(1) bond length is 1.51 Å. Co(1) is bonded in a distorted single-bond geometry to three equivalent Nb(2) and one Tc(1) atom.