# generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86625600
_cell_length_b   7.88679124
_cell_length_c   10.65016437
_cell_angle_alpha   99.16267123
_cell_angle_beta   87.27113964
_cell_angle_gamma   119.87292103
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2O4
_chemical_formula_sum   'Li7 Ti14 O28'
_cell_volume   565.24260277
_cell_formula_units_Z   7
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  0.04256300  0.18238800  0.78130400  1
  Li  Li1  1  0.31987900  0.61224300  0.77759900  1
  Li  Li2  1  0.60686900  0.05312300  0.78120300  1
  Li  Li3  1  0.74578000  0.54531300  0.73742900  1
  Li  Li4  1  0.25193200  0.24999900  0.22115200  1
  Li  Li5  1  0.58969900  0.96007100  0.26391600  1
  Li  Li6  1  0.95980700  0.80574300  0.22100100  1
  Ti  Ti7  1  0.22725700  0.08052200  0.50411400  1
  Ti  Ti8  1  0.05532100  0.34957800  0.49630600  1
  Ti  Ti9  1  0.35167900  0.78011700  0.49688300  1
  Ti  Ti10  1  0.64405300  0.21756300  0.50316300  1
  Ti  Ti11  1  0.93012400  0.64369700  0.49574700  1
  Ti  Ti12  1  0.50106200  0.50406600  0.49541700  1
  Ti  Ti13  1  0.78696300  0.92148100  0.50448200  1
  Ti  Ti14  1  0.14678300  0.72021200  0.99534200  1
  Ti  Ti15  1  0.41776000  0.13225100  0.99635800  1
  Ti  Ti16  1  0.70008700  0.56009400  0.00664800  1
  Ti  Ti17  1  0.28876300  0.43672900  0.00778300  1
  Ti  Ti18  1  0.58555700  0.85727000  0.99498400  1
  Ti  Ti19  1  0.86170000  0.29834500  0.01746900  1
  Ti  Ti20  1  0.99051700  0.98975600  0.99154000  1
  O  O21  1  0.22915500  0.16857500  0.89929900  1
  O  O22  1  0.09327600  0.44842700  0.89873300  1
  O  O23  1  0.38189300  0.87554500  0.88861500  1
  O  O24  1  0.66255300  0.30493200  0.90313000  1
  O  O25  1  0.93363600  0.72710800  0.89922000  1
  O  O26  1  0.51602800  0.59133400  0.89448100  1
  O  O27  1  0.80863300  0.03936300  0.89271900  1
  O  O28  1  0.17250900  0.85697400  0.59297200  1
  O  O29  1  0.46192000  0.29384700  0.60168800  1
  O  O30  1  0.74283000  0.70736100  0.60367800  1
  O  O31  1  0.03194000  0.14635600  0.60103400  1
  O  O32  1  0.31638800  0.57208900  0.59755000  1
  O  O33  1  0.60000000  0.99996800  0.60159800  1
  O  O34  1  0.88373000  0.43276900  0.60428900  1
  O  O35  1  0.11710000  0.57173200  0.40282900  1
  O  O36  1  0.40580300  0.00012600  0.39985400  1
  O  O37  1  0.68585000  0.43009900  0.40362500  1
  O  O38  1  0.97186400  0.86092300  0.40049300  1
  O  O39  1  0.25391500  0.28249500  0.40056500  1
  O  O40  1  0.54466500  0.72458100  0.40049400  1
  O  O41  1  0.82104400  0.13582100  0.39937500  1
  O  O42  1  0.18744900  0.97724100  0.10339800  1
  O  O43  1  0.47103700  0.39188600  0.10449300  1
  O  O44  1  0.05713200  0.25822100  0.10177500  1
  O  O45  1  0.34686300  0.69854000  0.09495900  1
  O  O46  1  0.62415600  0.11135900  0.09877100  1
  O  O47  1  0.91690500  0.55997500  0.10364500  1
  O  O48  1  0.77022100  0.83230900  0.10599700  1
