# generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94022200
_cell_length_b   8.15514800
_cell_length_c   8.89467900
_cell_angle_alpha   90.00000000
_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   285.81355252
_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  0.00000000  0.62277200  0.00707800  1
  Li  Li1  1  0.50000000  0.37722800  0.50707800  1
  Li  Li2  1  0.50000000  0.63006100  0.75384600  1
  Li  Li3  1  0.00000000  0.36993900  0.25384600  1
  Ti  Ti4  1  0.00000000  0.64594500  0.50061400  1
  Ti  Ti5  1  0.00000000  0.11682400  0.50570300  1
  Ti  Ti6  1  0.50000000  0.35405500  0.00061400  1
  Ti  Ti7  1  0.50000000  0.88317600  0.00570300  1
  Ti  Ti8  1  0.50000000  0.64190700  0.24628200  1
  Ti  Ti9  1  0.50000000  0.11191700  0.24502700  1
  Ti  Ti10  1  0.00000000  0.35809300  0.74628200  1
  Ti  Ti11  1  0.00000000  0.88808300  0.74502700  1
  O  O12  1  0.00000000  0.62705000  0.72203500  1
  O  O13  1  0.00000000  0.12662300  0.73201900  1
  O  O14  1  0.50000000  0.37295000  0.22203500  1
  O  O15  1  0.50000000  0.87337700  0.23201900  1
  O  O16  1  0.50000000  0.61825700  0.47618500  1
  O  O17  1  0.50000000  0.13529000  0.47382000  1
  O  O18  1  0.00000000  0.38174300  0.97618500  1
  O  O19  1  0.00000000  0.86471000  0.97382000  1
  O  O20  1  0.00000000  0.37644900  0.52250000  1
  O  O21  1  0.00000000  0.87655800  0.51994300  1
  O  O22  1  0.50000000  0.62355100  0.02250000  1
  O  O23  1  0.50000000  0.12344200  0.01994300  1
  O  O24  1  0.50000000  0.38524700  0.76775700  1
  O  O25  1  0.50000000  0.87143800  0.77657600  1
  O  O26  1  0.00000000  0.61475300  0.26775700  1
  O  O27  1  0.00000000  0.12856200  0.27657600  1
