# generated using pymatgen
data_Li4Ti5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89605065
_cell_length_b   5.89604765
_cell_length_c   13.16867998
_cell_angle_alpha   77.39989475
_cell_angle_beta   77.39982286
_cell_angle_gamma   89.80974468
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti5O12
_chemical_formula_sum   'Li8 Ti10 O24'
_cell_volume   435.53183516
_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  0.30227135  0.03741018  0.91643848  1
  Li  Li1  1  0.62899901  0.37099977  0.24999999  1
  Li  Li2  1  0.03741170  0.30227095  0.41643846  1
  Li  Li3  1  0.96259055  0.69772811  0.58356144  1
  Li  Li4  1  0.49999987  0.00000019  0.49999999  1
  Li  Li5  1  0.37100075  0.62900042  0.74999983  1
  Li  Li6  1  0.69772809  0.96258953  0.08356218  1
  Li  Li7  1  0.99999980  0.50000007  0.00000025  1
  Ti  Ti8  1  0.15731286  0.66578079  0.16221423  1
  Ti  Ti9  1  0.17060819  0.16167829  0.65706017  1
  Ti  Ti10  1  0.50000012  0.50000159  0.00000068  1
  Ti  Ti11  1  0.66578324  0.15731230  0.66221199  1
  Ti  Ti12  1  0.83832691  0.82938981  0.84293857  1
  Ti  Ti13  1  0.84268447  0.33421565  0.83778790  1
  Ti  Ti14  1  0.82939125  0.83832675  0.34293909  1
  Ti  Ti15  1  0.16167460  0.17060721  0.15706058  1
  Ti  Ti16  1  0.33421658  0.84268716  0.33778782  1
  Ti  Ti17  1  0.50000257  0.49999985  0.49999917  1
  O  O18  1  0.08877167  0.61867534  0.32320480  1
  O  O19  1  0.26091693  0.25881634  0.51069495  1
  O  O20  1  0.41350020  0.95145995  0.66860106  1
  O  O21  1  0.58220608  0.60199499  0.34173236  1
  O  O22  1  0.72420365  0.25834636  0.51268973  1
  O  O23  1  0.61867347  0.08876935  0.82320362  1
  O  O24  1  0.60199201  0.58220338  0.84173409  1
  O  O25  1  0.74165296  0.27579578  0.98730931  1
  O  O26  1  0.74118462  0.73908308  0.98930458  1
  O  O27  1  0.91411548  0.93854467  0.67206473  1
  O  O28  1  0.04853999  0.58649811  0.83139868  1
  O  O29  1  0.06145554  0.08588450  0.82793516  1
  O  O30  1  0.95146034  0.41350008  0.16860212  1
  O  O31  1  0.93854441  0.91411475  0.17206522  1
  O  O32  1  0.08588496  0.06145610  0.32793508  1
  O  O33  1  0.25834645  0.72420284  0.01269207  1
  O  O34  1  0.25881577  0.26091780  0.01069510  1
  O  O35  1  0.38132528  0.91122898  0.17679541  1
  O  O36  1  0.39800534  0.41779416  0.15826731  1
  O  O37  1  0.27579724  0.74165425  0.48730839  1
  O  O38  1  0.58649876  0.04854107  0.33139839  1
  O  O39  1  0.41779681  0.39800788  0.65826583  1
  O  O40  1  0.73908290  0.74118512  0.48930464  1
  O  O41  1  0.91122925  0.38132548  0.67679556  1
