data_LiTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.5
_cell_length_b   2.48
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi
_chemical_formula_sum   'Li4 Ti4'
_cell_volume   126.91
_cell_formula_units_Z   4
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  0.89  0.86  0.77  1.0
  Li  Li1  1  0.86  0.62  0.08  1.0
  Li  Li2  1  0.64  0.86  0.32  1.0
  Li  Li3  1  0.61  0.62  0.62  1.0
  Ti  Ti4  1  0.36  0.86  0.21  1.0
  Ti  Ti5  1  0.39  0.62  0.91  1.0
  Ti  Ti6  1  0.11  0.86  0.48  1.0
  Ti  Ti7  1  0.14  0.62  0.18  1.0

data_LiTi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.48
_cell_length_b   5.39
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiTi
_chemical_formula_sum   'Li4 Ti4'
_cell_volume   126.91
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.38  0.42  0.36  1.0
  Li  Li1  2  0.38  0.88  0.61  1.0
  Ti  Ti2  2  0.38  0.71  0.14  1.0
  Ti  Ti3  2  0.38  0.98  0.89  1.0

Li Li Li Li Ti Ti Ti Ti