# generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99503600
_cell_length_b   5.14441200
_cell_length_c   5.30149803
_cell_angle_alpha   89.31125579
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2O4
_chemical_formula_sum   'Li2 Ti4 O8'
_cell_volume   163.49134388
_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  0.75000000  0.32287700  0.56279100  1
  Li  Li1  1  0.25000000  0.67712300  0.43720900  1
  Ti  Ti2  1  0.50000000  0.50000000  0.00000000  1
  Ti  Ti3  1  0.00000000  0.50000000  0.00000000  1
  Ti  Ti4  1  0.75000000  0.97494500  0.01489600  1
  Ti  Ti5  1  0.25000000  0.02505500  0.98510400  1
  O  O6  1  0.48916700  0.83266000  0.19785600  1
  O  O7  1  0.75000000  0.65731900  0.79587000  1
  O  O8  1  0.01083300  0.83266000  0.19785600  1
  O  O9  1  0.25000000  0.66618300  0.80183700  1
  O  O10  1  0.51083300  0.16734000  0.80214400  1
  O  O11  1  0.75000000  0.33381700  0.19816300  1
  O  O12  1  0.98916700  0.16734000  0.80214400  1
  O  O13  1  0.25000000  0.34268100  0.20413000  1
