data_LiLaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87
_cell_length_b   10.87
_cell_length_c   10.87
_cell_angle_alpha   15.12
_cell_angle_beta   15.12
_cell_angle_gamma   15.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaMo2
_chemical_formula_sum   'Li1 La1 Mo2'
_cell_volume   76.16
_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
  La  La0  1  0.0  0.0  0.12  1.0
  Mo  Mo2  1  0.0  0.0  0.94  1.0
  Mo  Mo3  1  0.0  0.0  0.3  1.0

data_LiLaMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   2.86
_cell_length_c   10.87
_cell_angle_alpha   90.0
_cell_angle_beta   98.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLaMo2
_chemical_formula_sum   'Li2 La2 Mo4'
_cell_volume   152.31
_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
  La  La1  2  -0.0  0.0  0.88  1.0
  Mo  Mo2  2  -0.0  0.0  0.06  1.0
  Mo  Mo3  2  0.0  0.0  0.7  1.0

Li La Mo Mo
LiLaMo2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiLaMo2 clusters. Li(1) is bonded in a distorted single-bond geometry to one La(1) and one Mo(1) atom. The Li(1)-La(1) bond length is 1.30 Å. The Li(1)-Mo(1) bond length is 0.62 Å. La(1) is bonded in a linear geometry to one Li(1) and one Mo(2) atom. The La(1)-Mo(2) bond length is 1.91 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Li(1) atom. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one La(1) atom.