data_TiV2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   4.25
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   102.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV2Co
_chemical_formula_sum   'Ti1 V2 Co1'
_cell_volume   52.68
_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  Ti1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.71  0.12  0.17  1.0
  V  V3  1  0.9  0.12  0.49  1.0
  Co  Co0  1  0.8  0.0  0.33  1.0

data_TiV2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.25
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   102.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV2Co
_chemical_formula_sum   'Ti1 V2 Co1'
_cell_volume   52.68
_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  Ti0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.71  0.12  0.17  1.0
  V  V2  1  0.9  0.12  0.49  1.0
  Co  Co3  1  0.8  0.0  0.33  1.0

Ti V V Co
Ti V V Co 0 1 - o o 1 3 o o o 2 3 o o o 
TiV2Co crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiV2Co cluster. Ti(1) is bonded in a 1-coordinate geometry to one V(1) atom. The Ti(1)-V(1) bond length is 1.33 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Co(1) atom. The V(1)-Co(1) bond length is 0.92 Å. In the second V site, V(2) is bonded in a single-bond geometry to one Co(1) atom. The V(2)-Co(1) bond length is 0.92 Å. Co(1) is bonded in a distorted water-like geometry to one V(1) and one V(2) atom.