data_LiTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   133.03
_cell_angle_beta   133.03
_cell_angle_gamma   68.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiO2
_chemical_formula_sum   'Li2 Ti2 O4'
_cell_volume   70.89
_cell_formula_units_Z   2
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
  Li  Li1  1  0.0  0.04  0.12  1.0
  Ti  Ti2  1  0.0  0.0  0.24  1.0
  Ti  Ti3  1  0.04  0.0  0.12  1.0
  O  O4  1  0.0  0.0  0.36  1.0
  O  O5  1  0.0  0.04  0.24  1.0
  O  O6  1  0.0  0.04  0.0  1.0
  O  O7  1  0.0  0.0  0.12  1.0

data_LiTiO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   5.13
_cell_angle_alpha   113.48
_cell_angle_beta   113.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiO2
_chemical_formula_sum   'Li2 Ti2 O4'
_cell_volume   70.89
_cell_formula_units_Z   2
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
  Li  Li1  1  0.93  0.04  0.93  1.0
  Ti  Ti2  1  0.76  0.0  0.76  1.0
  Ti  Ti3  1  0.88  0.0  0.93  1.0
  O  O4  1  0.04  0.04  0.04  1.0
  O  O5  1  0.64  0.0  0.64  1.0
  O  O6  1  0.81  0.04  0.81  1.0
  O  O7  1  0.88  0.0  0.88  1.0

Li Li Ti Ti O O O O