data_HfTlMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlMo2
_chemical_formula_sum   'Hf1 Tl1 Mo2'
_cell_volume   76.17
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.63  1.0
  Mo  Mo1  1  0.7  0.0  0.24  1.0
  Mo  Mo2  1  0.7  0.0  0.02  1.0

data_HfTlMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlMo2
_chemical_formula_sum   'Hf1 Tl1 Mo2'
_cell_volume   76.17
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.63  1.0
  Mo  Mo2  1  0.7  0.0  0.02  1.0
  Mo  Mo3  1  0.7  0.0  0.24  1.0

Hf Tl Mo Mo
Hf Tl Mo Mo 0 3 - o o 0 1 o o - 0 2 - o o 1 1 + + o 1 1 o + o 1 1 + o o 2 3 o o o 
HfMo2Tl crystallizes in the triclinic P1 space group. Hf(1) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(2), and one Tl(1) atom. The Hf(1)-Mo(1) bond length is 2.39 Å. The Hf(1)-Mo(2) bond length is 0.90 Å. The Hf(1)-Tl(1) bond length is 3.43 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to one Hf(1), one Mo(2), and one Tl(1) atom. The Mo(1)-Mo(2) bond length is 2.06 Å. The Mo(1)-Tl(1) bond length is 3.71 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Hf(1) and one Mo(1) atom. Tl(1) is bonded in a 8-coordinate geometry to one Hf(1), one Mo(1), and six equivalent Tl(1) atoms. There are four shorter (2.96 Å) and two longer (3.40 Å) Tl(1)-Tl(1) bond lengths.