data_LiBi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   4.07
_cell_angle_alpha   102.93
_cell_angle_beta   102.93
_cell_angle_gamma   28.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2Cl
_chemical_formula_sum   'Li1 Bi2 Cl1'
_cell_volume   116.38
_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  Li3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.85  0.0  0.98  1.0
  Bi  Bi1  1  0.51  0.0  0.98  1.0
  Cl  Cl2  1  0.18  0.0  0.98  1.0

data_LiBi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.07
_cell_length_c   7.89
_cell_angle_alpha   102.93
_cell_angle_beta   104.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2Cl
_chemical_formula_sum   'Li1 Bi2 Cl1'
_cell_volume   116.38
_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  0.0  1.0
  Bi  Bi1  1  0.0  0.98  0.85  1.0
  Bi  Bi2  1  0.0  0.98  0.51  1.0
  Cl  Cl3  1  0.0  0.98  0.18  1.0

Li Bi Bi Cl
Li Bi Bi Cl 0 1 - o - 0 3 o o - 1 2 o o o 2 3 o o o 
LiBi2Cl is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiBi2Cl cluster. Li(1) is bonded in a linear geometry to one Bi(1) and one Cl(1) atom. The Li(1)-Bi(1) bond length is 1.19 Å. The Li(1)-Cl(1) bond length is 1.43 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Li(1) atom. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one Cl(1) atom. The Bi(2)-Cl(1) bond length is 2.61 Å. Cl(1) is bonded in a distorted single-bond geometry to one Li(1) and one Bi(2) atom.