data_NaLi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52
_cell_length_b   4.75
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Os
_chemical_formula_sum   'Na1 Li2 Os1'
_cell_volume   64.16
_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  Na2  1  0.0  0.0  0.65  1.0
  Li  Li0  1  0.0  0.0  0.11  1.0
  Li  Li1  1  0.26  0.37  0.43  1.0
  Os  Os3  1  0.26  0.37  0.24  1.0

data_NaLi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   4.75
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Os
_chemical_formula_sum   'Na1 Li2 Os1'
_cell_volume   64.16
_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  0.65  1.0
  Li  Li1  1  0.0  0.0  0.11  1.0
  Li  Li2  1  0.26  0.37  0.43  1.0
  Os  Os3  1  0.26  0.37  0.24  1.0

Na Li Li Os
Na Li Li Os 0 2 - o o 0 2 o o o 0 0 + o o 0 1 o o o 0 1 o o + 1 3 - o o 1 3 o o o 1 1 + o o 1 2 o o o 2 3 o o o 
NaLi2Os crystallizes in the triclinic P1 space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Li(1), and three equivalent Li(2) atoms. Both Na(1)-Na(1) bond lengths are 2.52 Å. There is one shorter (2.49 Å) and one longer (2.89 Å) Na(1)-Li(1) bond length. There are a spread of Na(1)-Li(2) bond distances ranging from 2.21-3.25 Å. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one Os(1) atom. The Li(1)-Os(1) bond length is 2.01 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to three equivalent Na(1) and one Os(1) atom. The Li(2)-Os(1) bond length is 1.04 Å. Os(1) is bonded in a distorted single-bond geometry to one Li(1) and one Li(2) atom.