data_Li2CoBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CoBi
_chemical_formula_sum   'Li2 Co1 Bi1'
_cell_volume   69.64
_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  0.7  0.7  0.93  1.0
  Li  Li3  1  0.0  0.0  0.38  1.0
  Co  Co1  1  0.0  0.0  0.52  1.0
  Bi  Bi0  1  0.7  0.7  0.18  1.0

data_Li2CoBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2CoBi
_chemical_formula_sum   'Li4 Co2 Bi2'
_cell_volume   139.28
_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  0.38  1.0
  Li  Li1  2  0.2  0.5  0.93  1.0
  Co  Co2  2  0.0  0.0  0.52  1.0
  Bi  Bi3  2  0.2  0.5  0.18  1.0

Li Li Co Bi
Li Li Co Bi 0 3 o o + 1 2 o o o 
Li2CoBi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2CoBi clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one Bi(1) atom. The Li(1)-Bi(1) bond length is 1.51 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Co(1) and one Bi(1) atom. The Li(2)-Co(1) bond length is 0.83 Å. The Li(2)-Bi(1) bond length is 1.88 Å. Co(1) is bonded in a single-bond geometry to one Li(2) atom. Bi(1) is bonded in a 2-coordinate geometry to one Li(1) and one Li(2) atom.