data_LiTaOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65
_cell_length_b   9.65
_cell_length_c   9.65
_cell_angle_alpha   16.52
_cell_angle_beta   16.52
_cell_angle_gamma   16.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaOs2
_chemical_formula_sum   'Li1 Ta1 Os2'
_cell_volume   63.29
_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  Li0  1  0.0  0.0  0.25  1.0
  Ta  Ta3  1  0.0  0.0  0.4  1.0
  Os  Os1  1  0.0  0.0  0.43  1.0
  Os  Os2  1  0.0  0.0  0.28  1.0

data_LiTaOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   2.77
_cell_length_c   9.65
_cell_angle_alpha   90.0
_cell_angle_beta   99.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiTaOs2
_chemical_formula_sum   'Li2 Ta2 Os4'
_cell_volume   126.59
_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  0.75  1.0
  Ta  Ta1  2  0.0  0.0  0.6  1.0
  Os  Os2  2  0.0  0.0  0.57  1.0
  Os  Os3  2  0.0  0.0  0.72  1.0

Li Ta Os Os
LiTaOs2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiTaOs2 clusters. Li(1) is bonded in a single-bond geometry to one Os(2) atom. The Li(1)-Os(2) bond length is 0.28 Å. Ta(1) is bonded in a distorted linear geometry to one Os(1) and one Os(2) atom. The Ta(1)-Os(1) bond length is 0.27 Å. The Ta(1)-Os(2) bond length is 1.12 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Os site, Os(2) is bonded in a distorted linear geometry to one Li(1) and one Ta(1) atom.