data_LiBi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   4.23
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2Mo
_chemical_formula_sum   'Li1 Bi2 Mo1'
_cell_volume   89.09
_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  Li2  1  0.0  0.0  0.72  1.0
  Bi  Bi0  1  0.0  0.0  0.42  1.0
  Bi  Bi1  1  0.84  0.11  0.74  1.0
  Mo  Mo3  1  0.84  0.11  0.46  1.0

data_LiBi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.23
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2Mo
_chemical_formula_sum   'Li1 Bi2 Mo1'
_cell_volume   89.09
_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  0.72  1.0
  Bi  Bi1  1  0.0  0.0  0.42  1.0
  Bi  Bi2  1  0.84  0.11  0.74  1.0
  Mo  Mo3  1  0.84  0.11  0.46  1.0

Li Bi Bi Mo
Li Bi Bi Mo 0 2 - o o 1 3 - o o 
LiMoBi2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiMoBi2 cluster. Li(1) is bonded in a distorted single-bond geometry to one Bi(1) and one Bi(2) atom. The Li(1)-Bi(1) bond length is 1.72 Å. The Li(1)-Bi(2) bond length is 0.77 Å. Mo(1) is bonded in a distorted single-bond geometry to one Bi(1) atom. The Mo(1)-Bi(1) bond length is 0.80 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to one Li(1) and one Mo(1) atom. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Li(1) atom.