data_HfNiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.83
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiOs2
_chemical_formula_sum   'Hf1 Ni1 Os2'
_cell_volume   60.36
_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  0.97  0.92  0.84  1.0
  Ni  Ni1  1  0.37  0.0  0.2  1.0
  Os  Os2  1  0.82  0.92  0.06  1.0
  Os  Os3  1  0.41  0.0  0.21  1.0

data_HfNiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.83
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiOs2
_chemical_formula_sum   'Hf1 Ni1 Os2'
_cell_volume   60.36
_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  0.97  0.92  0.84  1.0
  Ni  Ni1  1  0.37  0.0  0.2  1.0
  Os  Os2  1  0.41  0.0  0.21  1.0
  Os  Os3  1  0.82  0.92  0.06  1.0

Hf Ni Os Os
Hf Ni Os Os 0 2 o o + 1 3 o o o 1 2 o - o 2 3 o + o 
OsHfNiOs crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one nickel;osmium molecule and one OsHf cluster. In the OsHf cluster, Hf(1) is bonded in a single-bond geometry to one Os(1) atom. The Hf(1)-Os(1) bond length is 1.32 Å. Os(1) is bonded in a 1-coordinate geometry to one Hf(1) atom.