data_HfCu2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   32.55
_cell_angle_beta   32.55
_cell_angle_gamma   32.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCu2Te
_chemical_formula_sum   'Hf1 Cu2 Te1'
_cell_volume   76.33
_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  Hf2  1  0.0  0.0  0.16  1.0
  Cu  Cu0  1  0.0  0.0  0.35  1.0
  Cu  Cu1  1  0.0  0.0  0.05  1.0
  Te  Te3  1  0.0  0.0  0.83  1.0

data_HfCu2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.47
_cell_length_b   3.74
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   108.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCu2Te
_chemical_formula_sum   'Hf2 Cu4 Te2'
_cell_volume   152.66
_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  0.0  0.0  0.84  1.0
  Cu  Cu1  2  0.0  0.0  0.65  1.0
  Cu  Cu2  2  0.0  0.0  0.95  1.0
  Te  Te3  2  0.0  0.0  0.17  1.0

Hf Cu Cu Te
Hf Cu Cu Te 0 2 o o o 0 1 o o o 2 3 o o - 
HfCu2Te crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfCu2Te clusters. Hf(1) is bonded in a linear geometry to one Cu(1) and one Cu(2) atom. The Hf(1)-Cu(1) bond length is 1.22 Å. The Hf(1)-Cu(2) bond length is 0.74 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Hf(1) atom. In the second Cu site, Cu(2) is bonded in a distorted linear geometry to one Hf(1) and one Te(1) atom. The Cu(2)-Te(1) bond length is 1.49 Å. Te(1) is bonded in a single-bond geometry to one Cu(2) atom.