data_HfIrPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   131.81
_cell_angle_beta   131.81
_cell_angle_gamma   70.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIrPt2
_chemical_formula_sum   'Hf1 Ir1 Pt2'
_cell_volume   65.2
_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  0.0  1.0
  Ir  Ir1  1  0.01  0.0  0.01  1.0
  Pt  Pt2  1  0.0  0.0  0.02  1.0
  Pt  Pt3  1  0.0  0.01  0.01  1.0

data_HfIrPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   125.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfIrPt2
_chemical_formula_sum   'Hf2 Ir2 Pt4'
_cell_volume   130.4
_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  0.0  1.0
  Ir  Ir1  2  0.49  0.5  1.0  1.0
  Pt  Pt2  2  0.0  0.0  0.02  1.0
  Pt  Pt3  2  0.49  0.5  1.0  1.0

Hf Ir Pt Pt
Hf Ir Pt Pt 0 3 o o o 0 1 o o o 0 2 o o o 1 2 o o o 2 3 o o o 
HfIrPt2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfIrPt2 cluster. Hf(1) is bonded in an L-shaped geometry to one Ir(1), one Pt(1), and one Pt(2) atom. The Hf(1)-Ir(1) bond length is 0.05 Å. The Hf(1)-Pt(1) bond length is 0.12 Å. The Hf(1)-Pt(2) bond length is 0.05 Å. Ir(1) is bonded in a single-bond geometry to one Hf(1) and one Pt(1) atom. The Ir(1)-Pt(1) bond length is 0.11 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 3-coordinate geometry to one Hf(1), one Ir(1), and one Pt(2) atom. The Pt(1)-Pt(2) bond length is 0.11 Å. In the second Pt site, Pt(2) is bonded in a single-bond geometry to one Hf(1) and one Pt(1) atom.