data_Hf2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.24
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2OsCl
_chemical_formula_sum   'Hf2 Os1 Cl1'
_cell_volume   78.6
_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  Hf1  1  0.56  0.0  0.25  1.0
  Hf  Hf2  1  0.56  0.0  0.54  1.0
  Os  Os3  1  0.0  0.62  0.89  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Hf2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.24
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2OsCl
_chemical_formula_sum   'Hf2 Os1 Cl1'
_cell_volume   78.6
_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  0.56  0.0  0.25  1.0
  Hf  Hf1  1  0.56  0.0  0.54  1.0
  Os  Os2  1  0.0  0.62  0.89  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf Hf Os Cl
Hf2OsCl crystallizes in the triclinic P1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 2-coordinate geometry to one Hf(2) and two equivalent Cl(1) atoms. The Hf(1)-Hf(2) bond length is 2.26 Å. There is one shorter (2.38 Å) and one longer (2.61 Å) Hf(1)-Cl(1) bond length. In the second Hf site, Hf(2) is bonded in a 9-coordinate geometry to one Hf(1), four equivalent Hf(2), and four equivalent Os(1) atoms. There are two shorter (3.12 Å) and two longer (3.24 Å) Hf(2)-Hf(2) bond lengths. There are a spread of Hf(2)-Os(1) bond distances ranging from 3.32-3.83 Å. Os(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Hf(2) and two equivalent Cl(1) atoms. There is one shorter (1.49 Å) and one longer (2.16 Å) Os(1)-Cl(1) bond length. Cl(1) is bonded in a 4-coordinate geometry to two equivalent Hf(1) and two equivalent Os(1) atoms.