# generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91266200
_cell_length_b   8.20428600
_cell_length_c   8.90507973
_cell_angle_alpha   89.89937132
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2O4
_chemical_formula_sum   'Li4 Ti8 O16'
_cell_volume   285.85794445
_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  0.50000000  0.12625500  0.86747300  1
  Li  Li1  1  0.50000000  0.87374500  0.13252700  1
  Li  Li2  1  0.00000000  0.87303500  0.36736600  1
  Li  Li3  1  0.00000000  0.12696500  0.63263400  1
  Ti  Ti4  1  0.50000000  0.85463600  0.62287400  1
  Ti  Ti5  1  0.00000000  0.85347000  0.88560400  1
  Ti  Ti6  1  0.00000000  0.38813100  0.88903000  1
  Ti  Ti7  1  0.00000000  0.61186900  0.11097000  1
  Ti  Ti8  1  0.00000000  0.14653000  0.11439600  1
  Ti  Ti9  1  0.50000000  0.14536400  0.37712600  1
  Ti  Ti10  1  0.50000000  0.61197600  0.38267600  1
  Ti  Ti11  1  0.50000000  0.38802400  0.61732400  1
  O  O12  1  0.00000000  0.88312600  0.65082900  1
  O  O13  1  0.00000000  0.36939700  0.65360900  1
  O  O14  1  0.50000000  0.36871000  0.85303900  1
  O  O15  1  0.50000000  0.88266900  0.85588200  1
  O  O16  1  0.00000000  0.62468300  0.89027000  1
  O  O17  1  0.00000000  0.12436800  0.90047300  1
  O  O18  1  0.00000000  0.87563200  0.09952700  1
  O  O19  1  0.00000000  0.37531700  0.10973000  1
  O  O20  1  0.50000000  0.11733100  0.14411800  1
  O  O21  1  0.50000000  0.63129000  0.14696100  1
  O  O22  1  0.00000000  0.63060300  0.34639100  1
  O  O23  1  0.00000000  0.11687400  0.34917100  1
  O  O24  1  0.50000000  0.37468500  0.39753300  1
  O  O25  1  0.50000000  0.87458100  0.40293200  1
  O  O26  1  0.50000000  0.12541900  0.59706800  1
  O  O27  1  0.50000000  0.62531500  0.60246700  1
