data_Hf4TaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4TaPt
_chemical_formula_sum   'Hf4 Ta1 Pt1'
_cell_volume   122.27
_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  0.93  0.93  0.95  1.0
  Hf  Hf1  1  0.93  0.95  0.93  1.0
  Hf  Hf2  1  0.95  0.93  0.93  1.0
  Hf  Hf3  1  0.95  0.95  0.95  1.0
  Ta  Ta5  1  0.0  0.0  0.0  1.0
  Pt  Pt4  1  0.91  0.91  0.91  1.0

data_Hf4TaPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   13.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hf4TaPt
_chemical_formula_sum   'Hf12 Ta3 Pt3'
_cell_volume   366.8
_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  9  0.01  0.01  0.06  1.0
  Hf  Hf1  3  0.0  0.0  0.05  1.0
  Ta  Ta2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.09  1.0

Hf Hf Hf Hf Ta Pt
Hf4TaPt is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Hf4TaPt clusters. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 2-coordinate geometry to one Hf(2), two equivalent Hf(1), and one Pt(1) atom. The Hf(1)-Hf(2) bond length is 0.21 Å. Both Hf(1)-Hf(1) bond lengths are 0.12 Å. The Hf(1)-Pt(1) bond length is 0.37 Å. In the second Hf site, Hf(2) is bonded in a distorted single-bond geometry to three equivalent Hf(1) and one Ta(1) atom. The Hf(2)-Ta(1) bond length is 0.68 Å. Ta(1) is bonded in a single-bond geometry to one Hf(2) atom. Pt(1) is bonded in a 3-coordinate geometry to three equivalent Hf(1) atoms.