data_HfCd2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Te
_chemical_formula_sum   'Hf1 Cd2 Te1'
_cell_volume   98.02
_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  0.66  0.66  0.66  1.0
  Cd  Cd0  1  0.83  0.83  0.83  1.0
  Cd  Cd1  1  0.49  0.49  0.49  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_HfCd2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfCd2Te
_chemical_formula_sum   'Hf3 Cd6 Te3'
_cell_volume   294.05
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.34  1.0
  Cd  Cd1  3  0.0  0.0  0.17  1.0
  Cd  Cd2  3  0.0  0.0  0.51  1.0
  Te  Te3  3  0.0  0.0  0.0  1.0

Hf Cd Cd Te
HfCd2Te crystallizes in the trigonal R3m space group. Hf(1) is bonded to one Cd(1), one Cd(2), and three equivalent Te(1) atoms to form distorted HfCd2Te3 trigonal bipyramids that share corners with six equivalent Hf(1)Cd2Te3 trigonal bipyramids and  a cornercorner with one Te(1)Hf3Cd trigonal pyramid. The Hf(1)-Cd(1) bond length is 2.16 Å. The Hf(1)-Cd(2) bond length is 2.16 Å. All Hf(1)-Te(1) bond lengths are 2.99 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a linear geometry to one Hf(1) and one Te(1) atom. The Cd(1)-Te(1) bond length is 2.16 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Hf(1) atom. Te(1) is bonded to three equivalent Hf(1) and one Cd(1) atom to form distorted TeHf3Cd trigonal pyramids that share  a cornercorner with one Hf(1)Cd2Te3 trigonal bipyramid and corners with six equivalent Te(1)Hf3Cd trigonal pyramids.