# generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85105100
_cell_length_b   8.24631700
_cell_length_c   9.05297884
_cell_angle_alpha   89.96343137
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2O4
_chemical_formula_sum   'Li4 Ti8 O16'
_cell_volume   287.49527588
_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  0.25000000  0.49674000  0.90179500  1
  Li  Li1  1  0.75000000  0.50326000  0.09820500  1
  Li  Li2  1  0.75000000  0.75071600  0.40781400  1
  Li  Li3  1  0.25000000  0.24928400  0.59218600  1
  Ti  Ti4  1  0.25000000  0.77566000  0.13024300  1
  Ti  Ti5  1  0.25000000  0.23818200  0.14185500  1
  Ti  Ti6  1  0.25000000  0.48705600  0.35986600  1
  Ti  Ti7  1  0.25000000  0.00989000  0.36297100  1
  Ti  Ti8  1  0.75000000  0.99011000  0.63702900  1
  Ti  Ti9  1  0.75000000  0.51294400  0.64013400  1
  Ti  Ti10  1  0.75000000  0.76181800  0.85814500  1
  Ti  Ti11  1  0.75000000  0.22434000  0.86975700  1
  O  O12  1  0.25000000  0.74148600  0.89966800  1
  O  O13  1  0.25000000  0.25346600  0.90361100  1
  O  O14  1  0.75000000  0.74653400  0.09638900  1
  O  O15  1  0.75000000  0.25851400  0.10033200  1
  O  O16  1  0.25000000  0.00240100  0.14083500  1
  O  O17  1  0.25000000  0.50107800  0.14501300  1
  O  O18  1  0.25000000  0.74897400  0.34240000  1
  O  O19  1  0.25000000  0.25158000  0.36436500  1
  O  O20  1  0.75000000  0.50750900  0.39953000  1
  O  O21  1  0.75000000  0.99224100  0.40181000  1
  O  O22  1  0.25000000  0.00775900  0.59819000  1
  O  O23  1  0.25000000  0.49249100  0.60047000  1
  O  O24  1  0.75000000  0.74842000  0.63563500  1
  O  O25  1  0.75000000  0.25102600  0.65760000  1
  O  O26  1  0.75000000  0.49892200  0.85498700  1
  O  O27  1  0.75000000  0.99759900  0.85916500  1
