data_TiGaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91
_cell_length_b   8.91
_cell_length_c   8.91
_cell_angle_alpha   17.53
_cell_angle_beta   17.53
_cell_angle_gamma   17.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaCu2
_chemical_formula_sum   'Ti1 Ga1 Cu2'
_cell_volume   56.06
_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  Ga2  1  0.0  0.0  0.16  1.0
  Cu  Cu0  1  0.0  0.0  0.8  1.0
  Cu  Cu1  1  0.0  0.0  0.52  1.0

data_TiGaCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   2.72
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   100.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiGaCu2
_chemical_formula_sum   'Ti2 Ga2 Cu4'
_cell_volume   112.11
_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
  Ga  Ga1  2  0.0  0.0  0.84  1.0
  Cu  Cu2  2  0.0  0.0  0.2  1.0
  Cu  Cu3  2  0.0  0.0  0.48  1.0

Ti Ga Cu Cu
TiCu2Ga crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a linear geometry to one Cu(1) and one Ga(1) atom. The Ti(1)-Cu(1) bond length is 1.78 Å. The Ti(1)-Ga(1) bond length is 1.44 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Ti(1) and one Cu(2) atom. The Cu(1)-Cu(2) bond length is 2.46 Å. In the second Cu site, Cu(2) is bonded to one Cu(1), six equivalent Cu(2), and one Ga(1) atom to form a mixture of distorted edge and corner-sharing CuGaCu7 hexagonal bipyramids. All Cu(2)-Cu(2) bond lengths are 2.72 Å. The Cu(2)-Ga(1) bond length is 3.23 Å. Ga(1) is bonded in a single-bond geometry to one Ti(1) and one Cu(2) atom.