data_HfTe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   147.74
_cell_angle_beta   133.42
_cell_angle_gamma   57.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTe2Mo
_chemical_formula_sum   'Hf1 Te2 Mo1'
_cell_volume   86.55
_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  0.69  0.0  0.3  1.0
  Te  Te2  1  0.0  0.4  0.02  1.0
  Te  Te3  1  0.0  0.0  0.76  1.0
  Mo  Mo1  1  0.0  0.0  0.21  1.0

data_HfTe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.81
_cell_length_c   6.08
_cell_angle_alpha   113.29
_cell_angle_beta   106.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTe2Mo
_chemical_formula_sum   'Hf1 Te2 Mo1'
_cell_volume   86.55
_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  0.3  0.61  1.0
  Te  Te1  1  0.0  0.76  0.76  1.0
  Te  Te2  1  0.6  0.62  0.62  1.0
  Mo  Mo3  1  0.0  0.21  0.21  1.0

Hf Te Te Mo
HfMoTe2 crystallizes in the triclinic P1 space group. Hf(1) is bonded in a 5-coordinate geometry to one Mo(1), two equivalent Te(1), and two equivalent Te(2) atoms. The Hf(1)-Mo(1) bond length is 2.34 Å. There is one shorter (2.04 Å) and one longer (2.51 Å) Hf(1)-Te(1) bond length. There is one shorter (2.03 Å) and one longer (3.07 Å) Hf(1)-Te(2) bond length. Mo(1) is bonded in a distorted single-bond geometry to one Hf(1) and one Te(2) atom. The Mo(1)-Te(2) bond length is 2.68 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and two equivalent Te(2) atoms. There is one shorter (1.41 Å) and one longer (2.41 Å) Te(1)-Te(2) bond length. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Hf(1), one Mo(1), and two equivalent Te(1) atoms.