data_BaHfPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHfPt2
_chemical_formula_sum   'Ba1 Hf1 Pt2'
_cell_volume   100.73
_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
  Ba  Ba0  1  0.0  0.0  0.45  1.0
  Hf  Hf1  1  0.83  0.83  0.48  1.0
  Pt  Pt2  1  0.0  0.0  0.35  1.0
  Pt  Pt3  1  0.83  0.83  0.49  1.0

data_BaHfPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaHfPt2
_chemical_formula_sum   'Ba2 Hf2 Pt4'
_cell_volume   201.45
_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
  Ba  Ba0  2  0.0  0.0  0.45  1.0
  Hf  Hf1  2  0.33  0.5  0.48  1.0
  Pt  Pt2  2  0.0  0.0  0.35  1.0
  Pt  Pt3  2  0.33  0.5  0.49  1.0

Ba Hf Pt Pt
BaHfPt2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaHfPt2 clusters. Ba(1) is bonded in a distorted water-like geometry to one Hf(1) and one Pt(1) atom. The Ba(1)-Hf(1) bond length is 0.91 Å. The Ba(1)-Pt(1) bond length is 0.73 Å. Hf(1) is bonded in a single-bond geometry to one Ba(1) and one Pt(2) atom. The Hf(1)-Pt(2) bond length is 0.05 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a single-bond geometry to one Ba(1) atom. In the second Pt site, Pt(2) is bonded in a single-bond geometry to one Hf(1) atom.