data_TaOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   110.38
_cell_angle_beta   110.38
_cell_angle_gamma   107.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOsCl2
_chemical_formula_sum   'Ta1 Os1 Cl2'
_cell_volume   66.51
_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
  Ta  Ta3  1  0.0  0.0  0.61  1.0
  Os  Os2  1  0.52  0.0  0.3  1.0
  Cl  Cl0  1  0.0  0.52  0.3  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_TaOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   107.67
_cell_angle_beta   110.38
_cell_angle_gamma   110.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOsCl2
_chemical_formula_sum   'Ta1 Os1 Cl2'
_cell_volume   66.51
_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
  Ta  Ta0  1  0.61  0.0  0.0  1.0
  Os  Os1  1  0.3  0.52  0.0  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.3  0.0  0.52  1.0

Ta Os Cl Cl
TaOsCl2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 3-coordinate geometry to one Os(1), one Cl(1), and one Cl(2) atom. The Ta(1)-Os(1) bond length is 2.07 Å. The Ta(1)-Cl(1) bond length is 2.07 Å. The Ta(1)-Cl(2) bond length is 1.73 Å. Os(1) is bonded in a 4-coordinate geometry to one Ta(1), one Cl(2), and two equivalent Cl(1) atoms. The Os(1)-Cl(2) bond length is 2.24 Å. Both Os(1)-Cl(1) bond lengths are 2.62 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Ta(1) and two equivalent Os(1) atoms. In the second Cl site, Cl(2) is bonded in a 1-coordinate geometry to one Ta(1) and one Os(1) atom.