data_HfTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTePt2
_chemical_formula_sum   'Hf1 Te1 Pt2'
_cell_volume   76.9
_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  0.0  0.87  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.83  0.83  0.2  1.0
  Pt  Pt2  1  0.83  0.83  0.54  1.0

data_HfTePt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTePt2
_chemical_formula_sum   'Hf2 Te2 Pt4'
_cell_volume   153.79
_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  0.87  1.0
  Te  Te1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.33  0.5  0.2  1.0
  Pt  Pt3  2  0.33  0.5  0.54  1.0

Hf Te Pt Pt
Hf Te Pt Pt 0 1 o o + 0 3 - - o 1 2 - - o 2 3 o o o 
HfPt2Te crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfPt2Te clusters. Hf(1) is bonded in a distorted bent 150 degrees geometry to one Pt(2) and one Te(1) atom. The Hf(1)-Pt(2) bond length is 2.11 Å. The Hf(1)-Te(1) bond length is 0.75 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to one Te(1) atom. The Pt(1)-Te(1) bond length is 1.47 Å. In the second Pt site, Pt(2) is bonded in a distorted single-bond geometry to one Hf(1) atom. Te(1) is bonded in a distorted single-bond geometry to one Hf(1) and one Pt(1) atom.