data_Ba2LiTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiTi
_chemical_formula_sum   'Ba2 Li1 Ti1'
_cell_volume   140.94
_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  0.02  0.0  0.93  1.0
  Ba  Ba1  1  0.0  0.02  0.93  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.02  0.02  0.0  1.0

data_Ba2LiTi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.54
_cell_length_b   8.54
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2LiTi
_chemical_formula_sum   'Ba4 Li2 Ti2'
_cell_volume   281.89
_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
  Ba  Ba0  4  0.01  0.01  0.93  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  Ti  Ti2  2  0.02  0.0  -0.0  1.0

Ba Ba Li Ti
Ba Ba Li Ti 0 1 o o o 2 3 o o o 
LiBa2Ti crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiBa2Ti clusters. Li(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one Ti(1) atom. Both Li(1)-Ba(1) bond lengths are 0.29 Å. The Li(1)-Ti(1) bond length is 0.16 Å. Ba(1) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), and one Ti(1) atom. The Ba(1)-Ba(1) bond length is 0.16 Å. The Ba(1)-Ti(1) bond length is 0.29 Å. Ti(1) is bonded in a single-bond geometry to one Li(1) and two equivalent Ba(1) atoms.