data_HfOs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   148.65
_cell_angle_beta   130.9
_cell_angle_gamma   59.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfOs2Cl
_chemical_formula_sum   'Hf1 Os2 Cl1'
_cell_volume   62.84
_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  0.0  0.0  0.73  1.0
  Os  Os2  1  0.47  0.0  0.2  1.0
  Os  Os3  1  0.0  0.26  0.52  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HfOs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.52
_cell_length_c   5.44
_cell_angle_alpha   114.55
_cell_angle_beta   105.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfOs2Cl
_chemical_formula_sum   'Hf1 Os2 Cl1'
_cell_volume   62.84
_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  0.73  0.73  1.0
  Os  Os1  1  0.0  0.2  0.73  1.0
  Os  Os2  1  0.74  0.26  0.26  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf Os Os Cl
HfOs2Cl crystallizes in the triclinic P1 space group. Hf(1) is bonded in a distorted single-bond geometry to one Os(2), two equivalent Os(1), and one Cl(1) atom. The Hf(1)-Os(2) bond length is 2.44 Å. There is one shorter (2.14 Å) and one longer (2.38 Å) Hf(1)-Os(1) bond length. The Hf(1)-Cl(1) bond length is 1.49 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Cl(1) atom. The Os(1)-Cl(1) bond length is 2.01 Å. In the second Os site, Os(2) is bonded in a 3-coordinate geometry to one Hf(1) and two equivalent Cl(1) atoms. There is one shorter (1.79 Å) and one longer (2.25 Å) Os(2)-Cl(1) bond length. Cl(1) is bonded in a 4-coordinate geometry to one Hf(1), one Os(1), and two equivalent Os(2) atoms.