data_NaLiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiBi2
_chemical_formula_sum   'Na1 Li1 Bi2'
_cell_volume   104.78
_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
  Na  Na3  1  0.0  0.0  0.86  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.84  0.84  0.04  1.0
  Bi  Bi1  1  0.84  0.84  0.68  1.0

data_NaLiBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLiBi2
_chemical_formula_sum   'Na2 Li2 Bi4'
_cell_volume   209.57
_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
  Na  Na0  2  0.0  0.0  0.86  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.34  0.5  0.04  1.0
  Bi  Bi3  2  0.34  0.5  0.68  1.0

Na Li Bi Bi
Na Li Bi Bi 0 1 o o + 0 3 - - o 1 2 - - o 
NaLiBi2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaLiBi2 clusters. Na(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Bi(2) atom. The Na(1)-Li(1) bond length is 1.11 Å. The Na(1)-Bi(2) bond length is 1.61 Å. Li(1) is bonded in a 2-coordinate geometry to one Na(1) and one Bi(1) atom. The Li(1)-Bi(1) bond length is 0.87 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 single-bond geometry to one Na(1) atom.