data_LiSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   10.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb3
_chemical_formula_sum   'Li1 Sb3'
_cell_volume   99.4
_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
  Sb  Sb1  1  0.0  0.0  0.01  1.0
  Sb  Sb2  1  0.69  0.98  0.27  1.0
  Sb  Sb3  1  0.69  0.98  0.76  1.0

data_LiSb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   10.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb3
_chemical_formula_sum   'Li1 Sb3'
_cell_volume   99.4
_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
  Sb  Sb1  1  0.0  0.0  0.01  1.0
  Sb  Sb2  1  0.69  0.98  0.27  1.0
  Sb  Sb3  1  0.69  0.98  0.76  1.0

Li Sb Sb Sb
LiSb3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiSb3 cluster. Li(1) is bonded in a single-bond geometry to one Sb(1) and one Sb(3) atom. The Li(1)-Sb(1) bond length is 0.11 Å. The Li(1)-Sb(3) bond length is 2.65 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Li(1) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 2.75 Å. In the second Sb site, Sb(2) is bonded in a distorted single-bond geometry to one Sb(1) atom. In the third Sb site, Sb(3) is bonded in a single-bond geometry to one Li(1) atom.