data_AlTlBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   3.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlBr2
_chemical_formula_sum   'Al1 Tl1 Br2'
_cell_volume   121.02
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.78  0.78  0.0  1.0
  Br  Br1  1  0.0  0.78  0.96  1.0
  Br  Br2  1  0.78  0.0  0.96  1.0

data_AlTlBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.86
_cell_length_b   7.86
_cell_length_c   3.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlTlBr2
_chemical_formula_sum   'Al2 Tl2 Br4'
_cell_volume   242.04
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.28  0.5  0.0  1.0
  Br  Br2  4  0.39  0.39  0.96  1.0

Al Tl Br Br
Al Tl Br Br 0 3 - o - 0 2 o - - 1 2 + o - 1 3 o + - 
TlAlBr2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TlAlBr2 clusters. Tl(1) is bonded in an L-shaped geometry to two equivalent Br(1) atoms. Both Tl(1)-Br(1) bond lengths are 1.24 Å. Al(1) is bonded in an L-shaped geometry to two equivalent Br(1) atoms. Both Al(1)-Br(1) bond lengths are 1.24 Å. Br(1) is bonded in an L-shaped geometry to one Tl(1) and one Al(1) atom.