# generated using pymatgen
data_LiTi3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16910220
_cell_length_b   5.97537853
_cell_length_c   5.97507493
_cell_angle_alpha   120.05572726
_cell_angle_beta   125.25843267
_cell_angle_gamma   106.75503769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi3O4
_chemical_formula_sum   'Li1 Ti3 O4'
_cell_volume   75.22064438
_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  0.00694400  0.49985500  0.00408500  1
  Ti  Ti1  1  0.03810600  0.50054100  0.51937500  1
  Ti  Ti2  1  0.97553900  0.99964500  0.00422000  1
  Ti  Ti3  1  0.97555000  0.99986300  0.47075200  1
  O  O4  1  0.48210000  0.99983200  0.23666900  1
  O  O5  1  0.54495000  0.49975400  0.77222100  1
  O  O6  1  0.48137700  0.99970700  0.74486800  1
  O  O7  1  0.49420500  0.49997000  0.24667100  1
