data_Nb2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.85
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2OsCl
_chemical_formula_sum   'Nb2 Os1 Cl1'
_cell_volume   66.85
_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
  Nb  Nb1  1  0.86  0.42  0.48  1.0
  Nb  Nb2  1  0.87  0.0  0.16  1.0
  Os  Os3  1  0.07  0.42  0.74  1.0
  Cl  Cl0  1  0.36  0.0  0.61  1.0

data_Nb2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.73
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2OsCl
_chemical_formula_sum   'Nb2 Os1 Cl1'
_cell_volume   66.85
_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
  Nb  Nb0  1  0.13  0.84  0.0  1.0
  Nb  Nb1  1  0.14  0.52  0.58  1.0
  Os  Os2  1  0.93  0.26  0.58  1.0
  Cl  Cl3  1  0.64  0.39  0.0  1.0

Nb Nb Os Cl
Nb2OsCl crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Os(1) and four equivalent Cl(1) atoms. The Nb(1)-Os(1) bond length is 1.25 Å. There are a spread of Nb(1)-Cl(1) bond distances ranging from 2.55-3.26 Å. In the second Nb site, Nb(2) is bonded in a 1-coordinate geometry to four equivalent Cl(1) atoms. There are a spread of Nb(2)-Cl(1) bond distances ranging from 2.35-3.21 Å. Os(1) is bonded in a distorted single-bond geometry to one Nb(1) and three equivalent Cl(1) atoms. There are a spread of Os(1)-Cl(1) bond distances ranging from 2.35-3.02 Å. Cl(1) is bonded in a 11-coordinate geometry to four equivalent Nb(1), four equivalent Nb(2), and three equivalent Os(1) atoms.