data_Li2TlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlMo
_chemical_formula_sum   'Li2 Tl1 Mo1'
_cell_volume   73.46
_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
  Li  Li0  1  0.78  0.0  0.29  1.0
  Li  Li1  1  0.78  0.0  0.24  1.0
  Tl  Tl3  1  0.0  0.0  0.77  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Li2TlMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlMo
_chemical_formula_sum   'Li2 Tl1 Mo1'
_cell_volume   73.46
_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
  Li  Li0  1  0.78  0.0  0.24  1.0
  Li  Li1  1  0.78  0.0  0.29  1.0
  Tl  Tl2  1  0.0  0.0  0.77  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Li Li Tl Mo
Li Li Tl Mo 0 1 o o o 0 3 + o o 1 3 + o o 2 2 o + o 2 2 + o o 2 3 o o + 3 3 o + o 3 3 + o o 
Li2MoTl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2MoTl cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Li(2) atom. The Li(1)-Li(2) bond length is 0.45 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Li(1) and one Mo(1) atom. The Li(2)-Mo(1) bond length is 2.39 Å. Mo(1) is bonded in a distorted linear geometry to one Li(2) and one Tl(1) atom. The Mo(1)-Tl(1) bond length is 2.24 Å. Tl(1) is bonded in a single-bond geometry to one Mo(1) atom.