# generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20428523
_cell_length_b   3.91266200
_cell_length_c   8.90508036
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.10062819
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2O4
_chemical_formula_sum   'Li4 Ti8 O16'
_cell_volume   285.85793777
_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  0.99880200  0.49999800  0.23989200  1
  Li  Li1  1  0.25131200  0.49999800  0.50494600  1
  Li  Li2  1  0.25202200  0.00000000  0.73978600  1
  Li  Li3  1  0.99824700  0.00000000  0.00477200  1
  Ti  Ti4  1  0.27042100  0.49999800  0.99529400  1
  Ti  Ti5  1  0.27158700  0.00000000  0.25802400  1
  Ti  Ti6  1  0.73692500  0.00000000  0.26145000  1
  Ti  Ti7  1  0.51315800  0.00000000  0.48929600  1
  Ti  Ti8  1  0.97858300  0.00000000  0.49227300  1
  Ti  Ti9  1  0.97958500  0.49999800  0.75505400  1
  Ti  Ti10  1  0.51308100  0.49999800  0.75509500  1
  Ti  Ti11  1  0.73646800  0.49999800  0.99577700  1
  O  O12  1  0.24193100  0.00000000  0.02324800  1
  O  O13  1  0.75566000  0.00000000  0.02602900  1
  O  O14  1  0.75634700  0.49999800  0.22545800  1
  O  O15  1  0.24238700  0.49999800  0.22830100  1
  O  O16  1  0.50037400  0.00000000  0.26268900  1
  O  O17  1  0.00068900  0.00000000  0.27289300  1
  O  O18  1  0.24916000  0.00000000  0.47827300  1
  O  O19  1  0.74972800  0.00000000  0.48795400  1
  O  O20  1  0.00778000  0.49999800  0.52349300  1
  O  O21  1  0.49348000  0.49999800  0.52511500  1
  O  O22  1  0.49452400  0.00000000  0.72466700  1
  O  O23  1  0.00776500  0.00000000  0.72829100  1
  O  O24  1  0.75037200  0.49999800  0.76995300  1
  O  O25  1  0.25047600  0.49999800  0.77535100  1
  O  O26  1  0.99949100  0.49999800  0.97559800  1
  O  O27  1  0.49965800  0.49999800  0.98101500  1
