data_HfTePt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTePt4
_chemical_formula_sum   'Hf1 Te1 Pt4'
_cell_volume   109.78
_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  0.9  0.9  0.9  1.0
  Te  Te5  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.85  0.85  0.75  1.0
  Pt  Pt2  1  0.85  0.75  0.85  1.0
  Pt  Pt3  1  0.75  0.85  0.85  1.0
  Pt  Pt4  1  0.75  0.75  0.75  1.0

data_HfTePt4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   13.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfTePt4
_chemical_formula_sum   'Hf3 Te3 Pt12'
_cell_volume   329.35
_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  0.1  1.0
  Te  Te1  3  0.0  0.0  0.0  1.0
  Pt  Pt2  9  0.07  0.04  0.18  1.0
  Pt  Pt3  3  0.0  0.0  0.25  1.0

Hf Te Pt Pt Pt Pt
Hf Te Pt Pt Pt Pt 0 4 o o o 0 3 o o o 0 2 o o o 0 1 + + + 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
HfPt4Te crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 4-coordinate geometry to three equivalent Pt(1) and one Te(1) atom. All Hf(1)-Pt(1) bond lengths are 1.13 Å. The Hf(1)-Te(1) bond length is 1.31 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(2) is bonded in a 6-coordinate geometry to three equivalent Pt(1) and three equivalent Te(1) atoms. All Pt(2)-Pt(1) bond lengths are 1.01 Å. All Pt(2)-Te(1) bond lengths are 3.28 Å. In the second Pt site, Pt(1) is bonded in a 4-coordinate geometry to one Hf(1), one Pt(2), and two equivalent Pt(1) atoms. Both Pt(1)-Pt(1) bond lengths are 0.58 Å. Te(1) is bonded in a single-bond geometry to one Hf(1) and three equivalent Pt(2) atoms.