data_LiHgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.99
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgMo2
_chemical_formula_sum   'Li1 Hg1 Mo2'
_cell_volume   64.44
_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  Li1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.7  1.0  0.0  1.0
  Mo  Mo2  1  0.0  1.0  0.37  1.0
  Mo  Mo3  1  0.7  0.0  0.37  1.0

data_LiHgMo2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.41
_cell_length_b   3.99
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiHgMo2
_chemical_formula_sum   'Li1 Hg1 Mo2'
_cell_volume   64.44
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Hg  Hg1  1  0.7  0.0  0.0  1.0
  Mo  Mo2  1  -0.0  0.0  0.37  1.0
  Mo  Mo3  1  0.7  0.0  0.37  1.0

Li Hg Mo Mo
Li Hg Mo Mo 0 1 - - o 2 3 - + o 
LiMo2Hg is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiMo2Hg cluster. Li(1) is bonded in a 1-coordinate geometry to one Mo(1) and one Hg(1) atom. The Li(1)-Mo(1) bond length is 1.75 Å. The Li(1)-Hg(1) bond length is 1.01 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to one Li(1) and one Mo(2) atom. The Mo(1)-Mo(2) bond length is 1.01 Å. In the second Mo site, Mo(2) is bonded in a distorted L-shaped geometry to one Mo(1) and one Hg(1) atom. The Mo(2)-Hg(1) bond length is 1.75 Å. Hg(1) is bonded in a distorted single-bond geometry to one Li(1) and one Mo(2) atom.