data_TiGaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   6.44
_cell_angle_alpha   108.44
_cell_angle_beta   108.44
_cell_angle_gamma   33.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaCl2
_chemical_formula_sum   'Ti1 Ga1 Cl2'
_cell_volume   99.0
_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  0.67  0.0  0.87  1.0
  Ga  Ga2  1  0.52  0.0  0.71  1.0
  Cl  Cl0  1  0.56  0.0  0.61  1.0
  Cl  Cl1  1  0.96  0.0  0.02  1.0

data_TiGaCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.44
_cell_length_c   6.44
_cell_angle_alpha   108.44
_cell_angle_beta   90.0
_cell_angle_gamma   106.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaCl2
_chemical_formula_sum   'Ti1 Ga1 Cl2'
_cell_volume   99.0
_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  0.33  0.13  1.0
  Ga  Ga1  1  0.0  0.48  0.29  1.0
  Cl  Cl2  1  0.0  0.04  0.98  1.0
  Cl  Cl3  1  0.0  0.44  0.39  1.0

Ti Ga Cl Cl
TiGaCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiGaCl2 cluster. Ti(1) is bonded in a bent 150 degrees geometry to one Ga(1) and one Cl(2) atom. The Ti(1)-Ga(1) bond length is 1.11 Å. The Ti(1)-Cl(2) bond length is 1.59 Å. Ga(1) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Cl(1) atom. The Ga(1)-Cl(1) bond length is 0.69 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ga(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ti(1) atom.