data_Li2GaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.7
_cell_length_b   9.7
_cell_length_c   9.7
_cell_angle_alpha   16.29
_cell_angle_beta   16.29
_cell_angle_gamma   16.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaMo
_chemical_formula_sum   'Li2 Ga1 Mo1'
_cell_volume   62.57
_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  0.45  1.0
  Li  Li2  1  0.0  0.0  0.25  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.35  1.0

data_Li2GaMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   2.75
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   99.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2GaMo
_chemical_formula_sum   'Li4 Ga2 Mo2'
_cell_volume   125.13
_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  0.55  1.0
  Li  Li1  2  0.0  0.0  0.75  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0
  Mo  Mo3  2  0.0  0.0  0.65  1.0

Li Li Ga Mo
Li2MoGa is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2MoGa clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Mo(1) atom. The Li(1)-Mo(1) bond length is 0.97 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Mo(1) and one Ga(1) atom. The Li(2)-Mo(1) bond length is 0.97 Å. The Li(2)-Ga(1) bond length is 2.45 Å. Mo(1) is bonded in a linear geometry to one Li(1) and one Li(2) atom. Ga(1) is bonded in a single-bond geometry to one Li(2) atom.