data_Hf2AsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.3
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   98.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AsOs
_chemical_formula_sum   'Hf2 As1 Os1'
_cell_volume   73.33
_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  0.16  0.65  0.81  1.0
  Hf  Hf2  1  0.02  0.65  0.12  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.49  0.0  0.47  1.0

data_Hf2AsOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.3
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   98.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AsOs
_chemical_formula_sum   'Hf2 As1 Os1'
_cell_volume   73.33
_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  0.02  0.65  0.12  1.0
  Hf  Hf1  1  0.16  0.65  0.81  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.49  0.0  0.47  1.0

Hf Hf As Os
Hf Hf As Os 0 2 o + + 0 3 o + o 0 3 o o o 0 3 - + o 0 3 - o o 1 2 o + o 1 3 o + o 1 3 o o o 1 3 - + o 2 3 o o o 3 3 + o o 3 3 o + o 
Hf2OsAs crystallizes in the triclinic P1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted single-bond geometry to four equivalent Os(1) and one As(1) atom. There are a spread of Hf(1)-Os(1) bond distances ranging from 3.01-3.69 Å. The Hf(1)-As(1) bond length is 1.87 Å. In the second Hf site, Hf(2) is bonded in a distorted single-bond geometry to four equivalent Os(1) and one As(1) atom. There are a spread of Hf(2)-Os(1) bond distances ranging from 2.90-3.82 Å. The Hf(2)-As(1) bond length is 1.43 Å. Os(1) is bonded in a 12-coordinate geometry to four equivalent Hf(1), four equivalent Hf(2), and four equivalent Os(1) atoms. There are two shorter (3.20 Å) and two longer (3.30 Å) Os(1)-Os(1) bond lengths. As(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Hf(2) atom.