data_MnAl2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   4.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl2Tl
_chemical_formula_sum   'Mn1 Al2 Tl1'
_cell_volume   72.19
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.09  0.0  0.06  1.0
  Al  Al1  1  0.0  0.09  0.06  1.0
  Tl  Tl3  1  0.09  0.09  0.0  1.0

data_MnAl2Tl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   4.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAl2Tl
_chemical_formula_sum   'Mn2 Al4 Tl2'
_cell_volume   144.37
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Al  Al1  4  0.05  0.05  0.06  1.0
  Tl  Tl2  2  0.09  0.0  0.0  1.0

Mn Al Al Tl
MnTlAl2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MnTlAl2 clusters. Mn(1) is bonded in a 3-coordinate geometry to one Tl(1) and two equivalent Al(1) atoms. The Mn(1)-Tl(1) bond length is 0.54 Å. Both Mn(1)-Al(1) bond lengths are 0.46 Å. Tl(1) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Al(1) atoms. Both Tl(1)-Al(1) bond lengths are 0.46 Å. Al(1) is bonded in a 3-coordinate geometry to one Mn(1), one Tl(1), and one Al(1) atom. The Al(1)-Al(1) bond length is 0.54 Å.