data_TiTl2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Mo
_chemical_formula_sum   'Ti1 Tl2 Mo1'
_cell_volume   80.67
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.71  0.0  0.39  1.0
  Tl  Tl3  1  0.71  0.0  0.11  1.0
  Mo  Mo0  1  0.0  0.0  0.75  1.0

data_TiTl2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Mo
_chemical_formula_sum   'Ti1 Tl2 Mo1'
_cell_volume   80.67
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.71  0.0  0.11  1.0
  Tl  Tl2  1  0.71  0.0  0.39  1.0
  Mo  Mo3  1  0.0  0.0  0.75  1.0

Ti Tl Tl Mo
TiMoTl2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Tl(2) atoms. The Ti(1)-Mo(1) bond length is 2.35 Å. There is one shorter (1.38 Å) and one longer (2.40 Å) Ti(1)-Tl(2) bond length. Mo(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Tl(1) atom. The Mo(1)-Tl(1) bond length is 3.53 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 8-coordinate geometry to one Mo(1), one Tl(2), and six equivalent Tl(1) atoms. The Tl(1)-Tl(2) bond length is 2.66 Å. There are four shorter (3.01 Å) and two longer (3.43 Å) Tl(1)-Tl(1) bond lengths. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to two equivalent Ti(1) and one Tl(1) atom.