data_LiTeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   8.59
_cell_angle_alpha   20.38
_cell_angle_beta   20.38
_cell_angle_gamma   20.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTeOs2
_chemical_formula_sum   'Li1 Te1 Os2'
_cell_volume   67.19
_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  0.0  1.0
  Te  Te3  1  0.0  0.0  0.61  1.0
  Os  Os1  1  0.0  0.0  1.0  1.0
  Os  Os2  1  0.0  0.0  0.22  1.0

data_LiTeOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.04
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   101.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiTeOs2
_chemical_formula_sum   'Li2 Te2 Os4'
_cell_volume   134.38
_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  0.0  1.0
  Te  Te1  2  0.0  0.0  0.39  1.0
  Os  Os2  2  -0.0  0.0  0.78  1.0
  Os  Os3  2  0.0  0.0  0.0  1.0

LiOs2Te crystallizes in the monoclinic Cm space group. Li(1) is bonded in a single-bond geometry to one Os(1) and one Os(2) atom. The Li(1)-Os(1) bond length is 0.02 Å. The Li(1)-Os(2) bond length is 1.88 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to one Li(1) and one Te(1) atom. The Os(1)-Te(1) bond length is 3.34 Å. In the second Os site, Os(2) is bonded in a single-bond geometry to one Li(1) and one Te(1) atom. The Os(2)-Te(1) bond length is 3.34 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Os(1); one Os(2); and six Te(1,1) atoms to form a mixture of corner and edge-sharing TeTe6Os2 hexagonal bipyramids. All Te(1)-Te(1,1) bond lengths are 3.04 Å. In the second Te site, Te(1) is bonded to one Os(1); one Os(2); and six Te(1,1) atoms to form a mixture of corner and edge-sharing TeTe6Os2 hexagonal bipyramids. The Te(1)-Os(1) bond length is 3.34 Å. The Te(1)-Os(2) bond length is 3.34 Å. Both Te(1)-Te(1) bond lengths are 3.04 Å.