# generated using pymatgen
data_Li6Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73505745
_cell_length_b   5.73505745
_cell_length_c   9.63944599
_cell_angle_alpha   80.41563508
_cell_angle_beta   80.41563508
_cell_angle_gamma   59.75158106
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Ti2O7
_chemical_formula_sum   'Li12 Ti4 O14'
_cell_volume   268.78681494
_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  0.66758721  0.92417618  0.38689385  1
  Li  Li1  1  0.92417618  0.66758721  0.88689385  1
  Li  Li2  1  0.20694180  0.92299284  0.40315300  1
  Li  Li3  1  0.67022334  0.47045531  0.39002218  1
  Li  Li4  1  0.92299284  0.20694180  0.90315300  1
  Li  Li5  1  0.47045531  0.67022334  0.89002218  1
  Li  Li6  1  0.52954469  0.32977666  0.10997782  1
  Li  Li7  1  0.07700716  0.79305820  0.09684700  1
  Li  Li8  1  0.32977666  0.52954469  0.60997782  1
  Li  Li9  1  0.79305820  0.07700716  0.59684700  1
  Li  Li10  1  0.07582382  0.33241279  0.11310615  1
  Li  Li11  1  0.33241279  0.07582382  0.61310615  1
  Ti  Ti12  1  0.57012494  0.79744303  0.13078161  1
  Ti  Ti13  1  0.79744303  0.57012494  0.63078161  1
  Ti  Ti14  1  0.20255697  0.42987506  0.36921839  1
  Ti  Ti15  1  0.42987506  0.20255697  0.86921839  1
  O  O16  1  0.86312107  0.64027195  0.24952741  1
  O  O17  1  0.00085289  0.27026653  0.49855296  1
  O  O18  1  0.64027195  0.86312107  0.74952741  1
  O  O19  1  0.27026653  0.00085289  0.99855296  1
  O  O20  1  0.74032088  0.50430850  0.02459674  1
  O  O21  1  0.35158750  0.64841250  0.25000000  1
  O  O22  1  0.50430850  0.74032088  0.52459674  1
  O  O23  1  0.49569150  0.25967912  0.47540326  1
  O  O24  1  0.64841250  0.35158750  0.75000000  1
  O  O25  1  0.25967912  0.49569150  0.97540326  1
  O  O26  1  0.72973347  0.99914711  0.00144704  1
  O  O27  1  0.35972805  0.13687893  0.25047259  1
  O  O28  1  0.99914711  0.72973347  0.50144704  1
  O  O29  1  0.13687893  0.35972805  0.75047259  1
