data_TiCo2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   4.2
_cell_angle_alpha   124.97
_cell_angle_beta   124.97
_cell_angle_gamma   81.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCo2Cu
_chemical_formula_sum   'Ti1 Co2 Cu1'
_cell_volume   47.87
_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
  Co  Co0  1  0.94  0.0  0.59  1.0
  Co  Co1  1  0.0  0.94  0.59  1.0
  Cu  Cu2  1  0.0  0.0  0.18  1.0

data_TiCo2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   130.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiCo2Cu
_chemical_formula_sum   'Ti2 Co4 Cu2'
_cell_volume   95.75
_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
  Co  Co1  4  0.38  0.03  0.35  1.0
  Cu  Cu2  2  0.32  0.5  0.82  1.0

Ti Co Co Cu
TiCu(Co)2 is Zincblende, Sphalerite structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two cobalt molecules and two TiCu clusters. In each TiCu cluster, Ti(1) is bonded in a distorted single-bond geometry to one Cu(1) atom. The Ti(1)-Cu(1) bond length is 0.75 Å. Cu(1) is bonded in a single-bond geometry to one Ti(1) atom.