data_Li2MoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MoOs
_chemical_formula_sum   'Li2 Mo1 Os1'
_cell_volume   58.36
_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  0.79  0.0  0.28  1.0
  Li  Li1  1  0.0  0.79  0.28  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.79  0.79  0.0  1.0

data_Li2MoOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2MoOs
_chemical_formula_sum   'Li4 Mo2 Os2'
_cell_volume   116.71
_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  4  0.39  0.39  0.28  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.29  0.5  -0.0  1.0

Li Li Mo Os
Li Li Mo Os 0 1 + - o 2 3 - - o 
Li2MoOs is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2MoOs clusters. Li(1) is bonded in a 3-coordinate geometry to one Li(1), one Mo(1), and one Os(1) atom. The Li(1)-Li(1) bond length is 1.07 Å. The Li(1)-Mo(1) bond length is 1.50 Å. The Li(1)-Os(1) bond length is 1.50 Å. Mo(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Os(1) atom. The Mo(1)-Os(1) bond length is 1.07 Å. Os(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Mo(1) atom.