data_TiNb2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb2Co
_chemical_formula_sum   'Ti1 Nb2 Co1'
_cell_volume   63.07
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.55  0.55  0.81  1.0
  Nb  Nb2  1  0.55  0.55  0.77  1.0
  Co  Co0  1  0.0  0.0  0.29  1.0

data_TiNb2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiNb2Co
_chemical_formula_sum   'Ti2 Nb4 Co2'
_cell_volume   126.13
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.05  0.5  0.77  1.0
  Nb  Nb2  2  0.05  0.5  0.81  1.0
  Co  Co3  2  0.0  0.0  0.29  1.0

Ti Nb Nb Co
Ti Nb Nb Co 0 2 - - - 0 1 - - - 0 1 - o - 0 1 o - - 0 3 o o o 1 2 o o o 
(Nb)2CoTi is High Pressure Cadmuum Telluride structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CoTi clusters and two Nb clusters. In each CoTi cluster, Ti(1) is bonded in a distorted single-bond geometry to one Co(1) atom. The Ti(1)-Co(1) bond length is 1.91 Å. Co(1) is bonded in a single-bond geometry to one Ti(1) atom. In each Nb cluster, there are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Nb(2) atom. The Nb(1)-Nb(2) bond length is 0.30 Å. In the second Nb site, Nb(2) is bonded in a single-bond geometry to one Nb(1) atom.