# generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78924710
_cell_length_b   8.11398663
_cell_length_c   9.04870677
_cell_angle_alpha   89.99863841
_cell_angle_beta   90.00006670
_cell_angle_gamma   90.00011012
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2O4
_chemical_formula_sum   'Li4 Ti8 O16'
_cell_volume   278.21063623
_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  0.99994849  0.00067836  0.95961389  1
  Li  Li1  1  0.49999812  0.74924262  0.45968237  1
  Li  Li2  1  0.50000285  0.50068638  0.79038807  1
  Li  Li3  1  0.99997832  0.24932274  0.29014054  1
  Ti  Ti4  1  0.00001015  0.00890181  0.51815224  1
  Ti  Ti5  1  0.49999712  0.74109490  0.01820362  1
  Ti  Ti6  1  0.49999815  0.50894646  0.23181832  1
  Ti  Ti7  1  0.00001187  0.24112303  0.73184196  1
  Ti  Ti8  1  0.00001022  0.48885251  0.50982379  1
  Ti  Ti9  1  0.49999344  0.26115371  0.00992890  1
  Ti  Ti10  1  0.49999343  0.98886063  0.24008300  1
  Ti  Ti11  1  0.00001069  0.76111530  0.74019859  1
  O  O12  1  0.00000266  0.99806436  0.73992215  1
  O  O13  1  0.00000632  0.50167100  0.72229073  1
  O  O14  1  0.50000263  0.75193920  0.23990795  1
  O  O15  1  0.49999500  0.24830484  0.22232699  1
  O  O16  1  0.50000373  0.98955125  0.47383776  1
  O  O17  1  0.50000522  0.51069544  0.47032287  1
  O  O18  1  -0.00000075  0.76044560  0.97399446  1
  O  O19  1  -0.00000276  0.23932718  0.97049083  1
  O  O20  1  0.00000803  0.74829460  0.52774817  1
  O  O21  1  0.00000376  0.25191268  0.51006593  1
  O  O22  1  0.49999381  0.00167044  0.02769386  1
  O  O23  1  0.50000396  0.49809674  0.01011529  1
  O  O24  1  0.50000516  0.73930948  0.77973033  1
  O  O25  1  0.50000438  0.26043940  0.77618235  1
  O  O26  1  -0.00000216  0.01068468  0.27953749  1
  O  O27  1  0.00000019  0.48961367  0.27603752  1
