data_LiSi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2Os
_chemical_formula_sum   'Li1 Si2 Os1'
_cell_volume   50.82
_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  0.49  1.0
  Si  Si2  1  0.0  0.0  0.04  1.0
  Si  Si3  1  0.58  0.58  0.34  1.0
  Os  Os1  1  0.58  0.58  0.91  1.0

data_LiSi2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiSi2Os
_chemical_formula_sum   'Li2 Si4 Os2'
_cell_volume   101.65
_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  0.49  1.0
  Si  Si1  2  0.0  0.0  0.04  1.0
  Si  Si2  2  0.08  0.5  0.34  1.0
  Os  Os3  2  0.08  0.5  0.91  1.0

Li Si Si Os
Li Si Si Os 0 2 - - o 0 2 - o o 0 2 o - o 0 1 o o o 1 3 - - - 1 3 - o - 1 3 o - - 1 3 o o - 1 2 - - o 2 3 o o - 
LiOsSi2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent Si(1) and four equivalent Si(2) atoms. There is one shorter (2.26 Å) and one longer (2.85 Å) Li(1)-Si(1) bond length. There are a spread of Li(1)-Si(2) bond distances ranging from 2.03-2.68 Å. Os(1) is bonded in a 4-coordinate geometry to one Si(2) and four equivalent Si(1) atoms. The Os(1)-Si(2) bond length is 2.18 Å. There are a spread of Os(1)-Si(1) bond distances ranging from 2.01-2.66 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to two equivalent Li(1) and four equivalent Os(1) atoms. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one Os(1) atom.