# generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01630100
_cell_length_b   6.34097021
_cell_length_c   6.59792968
_cell_angle_alpha   106.21138362
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.46314538
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2O4
_chemical_formula_sum   'Li2 Ti4 O8'
_cell_volume   152.32201523
_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  0.94292200  0.88584300  0.65073200  1
  Li  Li1  1  0.05707800  0.11415700  0.34926800  1
  Ti  Ti2  1  0.28936500  0.57872900  0.71457300  1
  Ti  Ti3  1  0.71063500  0.42127100  0.28542700  1
  Ti  Ti4  1  0.38646900  0.77293800  0.29113100  1
  Ti  Ti5  1  0.61353100  0.22706200  0.70886900  1
  O  O6  1  0.35084900  0.70169700  0.99925600  1
  O  O7  1  0.64915100  0.29830300  0.00074400  1
  O  O8  1  0.22680000  0.45359900  0.34367800  1
  O  O9  1  0.77320000  0.54640100  0.65632200  1
  O  O10  1  0.11456600  0.22913300  0.67353300  1
  O  O11  1  0.88543400  0.77086700  0.32646700  1
  O  O12  1  0.43970900  0.87941700  0.64160400  1
  O  O13  1  0.56029100  0.12058300  0.35839600  1
