data_BaLiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiSb
_chemical_formula_sum   'Ba1 Li1 Sb1'
_cell_volume   97.92
_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
  Ba  Ba0  1  1.0  0.79  0.41  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.42  0.4  0.0  1.0

data_BaLiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.83
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiSb
_chemical_formula_sum   'Ba1 Li1 Sb1'
_cell_volume   97.92
_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
  Ba  Ba0  1  0.41  1.0  0.79  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.42  0.4  1.0

Ba Li Sb
Ba Li Sb 0 1 + + o 1 2 o o o 
BaLiSb crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Sb(1) atom. There is one shorter (2.23 Å) and one longer (3.00 Å) Li(1)-Ba(1) bond length. The Li(1)-Sb(1) bond length is 1.98 Å. Ba(1) is bonded in a 7-coordinate geometry to two equivalent Li(1) and five equivalent Sb(1) atoms. There are a spread of Ba(1)-Sb(1) bond distances ranging from 3.19-3.96 Å. Sb(1) is bonded in a distorted single-bond geometry to one Li(1) and five equivalent Ba(1) atoms.