data_TiCoTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.75
_cell_length_c   7.75
_cell_angle_alpha   154.36
_cell_angle_beta   151.61
_cell_angle_gamma   38.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoTe2
_chemical_formula_sum   'Ti1 Co1 Te2'
_cell_volume   95.72
_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  0.15  1.0
  Co  Co0  1  0.72  0.0  0.3  1.0
  Te  Te1  1  0.0  0.0  0.23  1.0
  Te  Te2  1  0.0  0.9  0.96  1.0

data_TiCoTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.8
_cell_length_c   7.75
_cell_angle_alpha   104.2
_cell_angle_beta   102.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoTe2
_chemical_formula_sum   'Ti1 Co1 Te2'
_cell_volume   95.72
_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  0.15  0.15  1.0
  Co  Co1  1  0.0  0.3  0.58  1.0
  Te  Te2  1  0.0  0.23  0.23  1.0
  Te  Te3  1  0.1  0.06  0.06  1.0

Ti Co Te Te
Ti Co Te Te 0 2 o o o 0 1 - o o 0 3 o - - 1 2 + o o 
TiCoTe2 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiCoTe2 cluster. Ti(1) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. The Ti(1)-Te(1) bond length is 0.60 Å. The Ti(1)-Te(2) bond length is 0.87 Å. Co(1) is bonded in a single-bond geometry to one Te(1) atom. The Co(1)-Te(1) bond length is 2.67 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a single-bond geometry to one Ti(1) and one Co(1) atom. In the second Te site, Te(2) is bonded in a single-bond geometry to one Ti(1) atom.