data_Tl2MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2MoAu
_chemical_formula_sum   'Tl2 Mo1 Au1'
_cell_volume   80.84
_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
  Tl  Tl2  1  0.0  0.33  0.86  1.0
  Tl  Tl3  1  0.33  0.0  0.86  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.33  0.33  0.0  1.0

data_Tl2MoAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2MoAu
_chemical_formula_sum   'Tl4 Mo2 Au2'
_cell_volume   161.67
_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
  Tl  Tl0  4  0.16  0.16  0.86  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.33  0.0  -0.0  1.0

Tl Tl Mo Au
MoAuTl2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MoAuTl2 clusters. Mo(1) is bonded in a distorted L-shaped geometry to two equivalent Tl(1) atoms. Both Mo(1)-Tl(1) bond lengths are 1.61 Å. Au(1) is bonded in a distorted L-shaped geometry to two equivalent Tl(1) atoms. Both Au(1)-Tl(1) bond lengths are 1.61 Å. Tl(1) is bonded in a distorted L-shaped geometry to one Mo(1) and one Au(1) atom.