data_TiAlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlCl2
_chemical_formula_sum   'Ti1 Al1 Cl2'
_cell_volume   81.4
_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  0.51  0.51  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.51  0.62  1.0
  Cl  Cl2  1  0.51  0.0  0.62  1.0

data_TiAlCl2
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   TiAlCl2
_chemical_formula_sum   'Ti1 Al1 Cl2'
_cell_volume   81.4
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.5  0.5  0.0  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.0  0.5  0.62  1.0

Ti Al Cl Cl
TiAlCl2 crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a 8-coordinate geometry to eight equivalent Cl(1) atoms. There are a spread of Ti(1)-Cl(1) bond distances ranging from 2.77-3.24 Å. Al(1) is bonded in a 4-coordinate geometry to four equivalent Cl(1) atoms. There are two shorter (2.77 Å) and two longer (2.82 Å) Al(1)-Cl(1) bond lengths. Cl(1) is bonded in a 6-coordinate geometry to four equivalent Ti(1) and two equivalent Al(1) atoms.