data_HfFeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeTe2
_chemical_formula_sum   'Hf1 Fe1 Te2'
_cell_volume   98.16
_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  Hf1  1  0.83  0.83  0.34  1.0
  Fe  Fe0  1  0.0  0.0  0.81  1.0
  Te  Te2  1  0.0  0.0  0.66  1.0
  Te  Te3  1  0.83  0.83  0.57  1.0

data_HfFeTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfFeTe2
_chemical_formula_sum   'Hf2 Fe2 Te4'
_cell_volume   196.31
_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
  Hf  Hf0  2  0.33  0.5  0.34  1.0
  Fe  Fe1  2  0.0  0.0  0.81  1.0
  Te  Te2  2  0.0  0.0  0.66  1.0
  Te  Te3  2  0.33  0.5  0.57  1.0

Hf Fe Te Te
HfFeTe2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfFeTe2 clusters. Hf(1) is bonded in a single-bond geometry to one Te(2) atom. The Hf(1)-Te(2) bond length is 1.75 Å. Fe(1) is bonded in a single-bond geometry to one Te(1) atom. The Fe(1)-Te(1) bond length is 1.17 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 1.08 Å. In the second Te site, Te(2) is bonded in a bent 120 degrees geometry to one Hf(1) and one Te(1) atom.