data_Li2OsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   127.86
_cell_angle_beta   127.86
_cell_angle_gamma   76.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2OsBr2
_chemical_formula_sum   'Li2 Os1 Br2'
_cell_volume   124.67
_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
  Li  Li2  1  0.0  0.0  0.52  1.0
  Li  Li3  1  0.0  0.0  0.73  1.0
  Os  Os4  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.6  0.31  1.0
  Br  Br1  1  0.6  0.0  0.31  1.0

data_Li2OsBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   128.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2OsBr2
_chemical_formula_sum   'Li4 Os2 Br4'
_cell_volume   249.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  2  0.0  0.0  0.52  1.0
  Li  Li1  2  0.0  0.0  0.73  1.0
  Os  Os2  2  0.0  0.0  0.0  1.0
  Br  Br3  4  0.2  0.2  0.72  1.0

Li Li Os Br Br
Li Li Os Br Br 0 1 o o o 0 3 o - o 0 4 - o o 1 2 o o + 1 3 o - o 1 4 - o o 
Li2OsBr2 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one Li(2), one Os(1), and two equivalent Br(1) atoms. The Li(1)-Li(2) bond length is 1.28 Å. The Li(1)-Os(1) bond length is 3.06 Å. Both Li(1)-Br(1) bond lengths are 1.90 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one Li(1), one Os(1), and four equivalent Br(1) atoms. The Li(2)-Os(1) bond length is 1.57 Å. There are two shorter (2.15 Å) and two longer (3.05 Å) Li(2)-Br(1) bond lengths. Os(1) is bonded in a single-bond geometry to one Li(1), one Li(2), and two equivalent Br(1) atoms. Both Os(1)-Br(1) bond lengths are 2.79 Å. Br(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Li(2), and one Os(1) atom.