# generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93802345
_cell_length_b   5.93802345
_cell_length_c   9.63637900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2O4
_chemical_formula_sum   'Li4 Ti8 O16'
_cell_volume   294.25804683
_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  0.33333300  0.66666700  0.89373500  1
  Li  Li1  1  0.00000000  0.00000000  0.99504800  1
  Li  Li2  1  0.00000000  0.00000000  0.49504800  1
  Li  Li3  1  0.66666700  0.33333300  0.39373500  1
  Ti  Ti4  1  0.17088400  0.82911600  0.21546500  1
  Ti  Ti5  1  0.65823300  0.82911600  0.21546500  1
  Ti  Ti6  1  0.34176700  0.17088400  0.71546500  1
  Ti  Ti7  1  0.82911600  0.17088400  0.71546500  1
  Ti  Ti8  1  0.33333300  0.66666700  0.48888100  1
  Ti  Ti9  1  0.17088400  0.34176700  0.21546500  1
  Ti  Ti10  1  0.66666700  0.33333300  0.98888100  1
  Ti  Ti11  1  0.82911600  0.65823300  0.71546500  1
  O  O12  1  0.16632400  0.83367600  0.59834100  1
  O  O13  1  0.03984400  0.51992200  0.34075300  1
  O  O14  1  0.33333300  0.66666700  0.10289700  1
  O  O15  1  0.00000000  0.00000000  0.30992100  1
  O  O16  1  0.00000000  0.00000000  0.80992100  1
  O  O17  1  0.16632400  0.33264800  0.59834100  1
  O  O18  1  0.48007800  0.96015600  0.34075300  1
  O  O19  1  0.48007800  0.51992200  0.34075300  1
  O  O20  1  0.33264800  0.16632400  0.09834100  1
  O  O21  1  0.66735200  0.83367600  0.59834100  1
  O  O22  1  0.51992200  0.48007800  0.84075300  1
  O  O23  1  0.51992200  0.03984400  0.84075300  1
  O  O24  1  0.66666700  0.33333300  0.60289700  1
  O  O25  1  0.83367600  0.66735200  0.09834100  1
  O  O26  1  0.96015600  0.48007800  0.84075300  1
  O  O27  1  0.83367600  0.16632400  0.09834100  1
