data_AlTlSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   148.73
_cell_angle_beta   148.73
_cell_angle_gamma   44.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlSe
_chemical_formula_sum   'Al1 Tl1 Se1'
_cell_volume   74.29
_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  0.44  1.0
  Tl  Tl2  1  0.0  0.0  0.17  1.0
  Se  Se1  1  0.0  0.0  0.43  1.0

data_AlTlSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   112.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlTlSe
_chemical_formula_sum   'Al2 Tl2 Se2'
_cell_volume   148.58
_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  0.56  1.0
  Tl  Tl1  2  0.0  0.0  0.83  1.0
  Se  Se2  2  0.0  0.0  0.57  1.0

Al Tl Se
Al Tl Se 0 2 o o o 0 1 o o o 1 2 o o o 
TlAlSe is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TlAlSe clusters. Tl(1) is bonded in a single-bond geometry to one Se(1) atom. The Tl(1)-Se(1) bond length is 1.68 Å. Al(1) is bonded in a single-bond geometry to one Se(1) atom. The Al(1)-Se(1) bond length is 0.04 Å. Se(1) is bonded in a distorted linear geometry to one Tl(1) and one Al(1) atom.