data_Hf2ReOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.58
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   102.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ReOs
_chemical_formula_sum   'Hf2 Re1 Os1'
_cell_volume   69.87
_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  0.92  0.29  0.14  1.0
  Hf  Hf1  1  0.85  0.0  0.35  1.0
  Re  Re3  1  0.87  0.0  0.91  1.0
  Os  Os2  1  0.89  0.29  0.57  1.0

data_Hf2ReOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.58
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   102.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ReOs
_chemical_formula_sum   'Hf2 Re1 Os1'
_cell_volume   69.87
_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  0.85  0.0  0.35  1.0
  Hf  Hf1  1  0.92  0.29  0.14  1.0
  Re  Re2  1  0.87  0.0  0.91  1.0
  Os  Os3  1  0.89  0.29  0.57  1.0

Hf Hf Re Os
Hf Hf Re Os 0 2 o o - 0 1 o o o 1 3 o o o 
HfReOsHf crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfRe cluster and one OsHf cluster. In the HfRe cluster, Hf(1) is bonded in a distorted single-bond geometry to one Re(1) atom. The Hf(1)-Re(1) bond length is 1.77 Å. Re(1) is bonded in a 1-coordinate geometry to one Hf(1) atom. In the OsHf cluster, Hf(2) is bonded in a distorted single-bond geometry to one Os(1) atom. The Hf(2)-Os(1) bond length is 1.77 Å. Os(1) is bonded in a distorted single-bond geometry to one Hf(2) atom.