data_NaNbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   5.25
_cell_angle_alpha   93.78
_cell_angle_beta   93.78
_cell_angle_gamma   32.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbOs2
_chemical_formula_sum   'Na1 Nb1 Os2'
_cell_volume   64.05
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.39  0.0  0.62  1.0
  Os  Os2  1  0.98  0.0  0.96  1.0
  Os  Os3  1  0.81  0.0  0.28  1.0

data_NaNbOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.77
_cell_length_c   5.25
_cell_angle_alpha   93.78
_cell_angle_beta   90.0
_cell_angle_gamma   106.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbOs2
_chemical_formula_sum   'Na1 Nb1 Os2'
_cell_volume   64.05
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.61  0.38  1.0
  Os  Os2  1  0.0  0.02  0.04  1.0
  Os  Os3  1  0.0  0.19  0.72  1.0

Na Nb Os Os
NaNbOs2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a single-bond geometry to one Os(1) and one Os(2) atom. The Na(1)-Os(1) bond length is 0.24 Å. The Na(1)-Os(2) bond length is 1.77 Å. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1), two equivalent Os(1), and two equivalent Os(2) atoms. Both Nb(1)-Nb(1) bond lengths are 2.68 Å. There is one shorter (2.74 Å) and one longer (3.21 Å) Nb(1)-Os(1) bond length. There is one shorter (2.74 Å) and one longer (3.21 Å) Nb(1)-Os(2) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to one Na(1) and two equivalent Nb(1) atoms. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to one Na(1) and two equivalent Nb(1) atoms.