data_TiGa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa2Cu
_chemical_formula_sum   'Ti1 Ga2 Cu1'
_cell_volume   61.37
_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
  Ga  Ga1  1  0.6  0.0  0.15  1.0
  Ga  Ga2  1  0.6  0.0  0.18  1.0
  Cu  Cu0  1  0.0  0.0  0.17  1.0

data_TiGa2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa2Cu
_chemical_formula_sum   'Ti1 Ga2 Cu1'
_cell_volume   61.37
_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
  Ga  Ga1  1  0.6  0.0  0.15  1.0
  Ga  Ga2  1  0.6  0.0  0.18  1.0
  Cu  Cu3  1  0.0  0.0  0.17  1.0

Ti Ga Ga Cu
Ti Ga Ga Cu 0 1 - o o 0 3 o o o 1 2 o o o 1 3 + o o 2 3 + o o 
TiCuGa2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiCuGa2 cluster. Ti(1) is bonded in a distorted single-bond geometry to one Cu(1) atom. The Ti(1)-Cu(1) bond length is 1.40 Å. Cu(1) is bonded in a 2-coordinate geometry to one Ti(1) and one Ga(1) atom. The Cu(1)-Ga(1) bond length is 1.12 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one Cu(1) and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 0.27 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Ga(1) atom.