data_Al2TlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlMo
_chemical_formula_sum   'Al2 Tl1 Mo1'
_cell_volume   72.08
_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  0.47  0.0  0.48  1.0
  Al  Al1  1  0.0  0.47  0.48  1.0
  Tl  Tl3  1  0.47  0.47  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Al2TlMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2TlMo
_chemical_formula_sum   'Al4 Tl2 Mo2'
_cell_volume   144.16
_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  4  0.24  0.24  0.48  1.0
  Tl  Tl1  2  0.47  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0

Al Al Tl Mo
MoTlAl2 crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 8-coordinate geometry to four equivalent Tl(1) and eight equivalent Al(1) atoms. There are a spread of Mo(1)-Tl(1) bond distances ranging from 3.29-3.70 Å. There are a spread of Mo(1)-Al(1) bond distances ranging from 2.72-3.04 Å. Tl(1) is bonded in a 14-coordinate geometry to four equivalent Mo(1), two equivalent Tl(1), and eight equivalent Al(1) atoms. Both Tl(1)-Tl(1) bond lengths are 2.95 Å. There are a spread of Tl(1)-Al(1) bond distances ranging from 2.72-3.04 Å. Al(1) is bonded in a 10-coordinate geometry to four equivalent Mo(1), four equivalent Tl(1), and two equivalent Al(1) atoms. Both Al(1)-Al(1) bond lengths are 2.95 Å.