data_HfNi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Te
_chemical_formula_sum   'Hf1 Ni2 Te1'
_cell_volume   67.79
_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  0.66  0.66  0.92  1.0
  Ni  Ni1  1  0.0  0.0  0.02  1.0
  Ni  Ni2  1  0.66  0.66  0.45  1.0
  Te  Te3  1  0.0  0.0  0.79  1.0

data_HfNi2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNi2Te
_chemical_formula_sum   'Hf2 Ni4 Te2'
_cell_volume   135.58
_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  0.16  0.5  0.92  1.0
  Ni  Ni1  2  0.0  0.0  0.02  1.0
  Ni  Ni2  2  0.16  0.5  0.45  1.0
  Te  Te3  2  0.0  0.0  0.79  1.0

Hf Ni Ni Te
HfNi2Te crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 2-coordinate geometry to one Ni(1), two equivalent Ni(2), and one Te(1) atom. The Hf(1)-Ni(1) bond length is 1.69 Å. There is one shorter (2.88 Å) and one longer (3.24 Å) Hf(1)-Ni(2) bond length. The Hf(1)-Te(1) bond length is 1.78 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one Hf(1), one Ni(2), and one Te(1) atom. The Ni(1)-Ni(2) bond length is 3.08 Å. The Ni(1)-Te(1) bond length is 1.41 Å. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to two equivalent Hf(1), one Ni(1), and three equivalent Te(1) atoms. There is one shorter (2.60 Å) and two longer (3.23 Å) Ni(2)-Te(1) bond lengths. Te(1) is bonded in a 2-coordinate geometry to one Hf(1), one Ni(1), and three equivalent Ni(2) atoms.