# generated using pymatgen
data_LiTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17964600
_cell_length_b   8.67855200
_cell_length_c   13.48411447
_cell_angle_alpha   62.84568576
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiP2O7
_chemical_formula_sum   'Li4 Ti4 P8 O28'
_cell_volume   539.32766185
_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  0.23759600  0.55887800  0.80469900  1
  Li  Li1  1  0.73759600  0.44112200  0.69530100  1
  Li  Li2  1  0.26240400  0.55887800  0.30469900  1
  Li  Li3  1  0.76240400  0.44112200  0.19530100  1
  Ti  Ti4  1  0.26472300  0.73615300  0.52906600  1
  Ti  Ti5  1  0.76472300  0.26384700  0.97093400  1
  Ti  Ti6  1  0.23527700  0.73615300  0.02906600  1
  Ti  Ti7  1  0.73527700  0.26384700  0.47093400  1
  P  P8  1  0.74140000  0.82798000  0.64785500  1
  P  P9  1  0.27979100  0.31731400  0.11605500  1
  P  P10  1  0.24140000  0.17202000  0.85214500  1
  P  P11  1  0.22020900  0.31731400  0.61605500  1
  P  P12  1  0.77979100  0.68268600  0.38394500  1
  P  P13  1  0.75860000  0.82798000  0.14785500  1
  P  P14  1  0.72020900  0.68268600  0.88394500  1
  P  P15  1  0.25860000  0.17202000  0.35214500  1
  O  O16  1  0.47480100  0.74271400  0.65967500  1
  O  O17  1  0.95489100  0.71195800  0.63914600  1
  O  O18  1  0.79335300  0.52213500  0.86862300  1
  O  O19  1  0.56951300  0.31596900  0.09202800  1
  O  O20  1  0.21708700  0.15767600  0.23747800  1
  O  O21  1  0.10736600  0.29096700  0.03474900  1
  O  O22  1  0.24238900  0.98556800  0.44269300  1
  O  O23  1  0.29335300  0.47786500  0.63137700  1
  O  O24  1  0.45489100  0.28804200  0.86085400  1
  O  O25  1  0.97480100  0.25728600  0.84032500  1
  O  O26  1  0.74238900  0.01443200  0.05730700  1
  O  O27  1  0.93048700  0.31596900  0.59202800  1
  O  O28  1  0.60736600  0.70903300  0.46525100  1
  O  O29  1  0.71708700  0.84232400  0.26252200  1
  O  O30  1  0.28291300  0.15767600  0.73747800  1
  O  O31  1  0.39263400  0.29096700  0.53474900  1
  O  O32  1  0.06951300  0.68403100  0.40797200  1
  O  O33  1  0.25761100  0.98556800  0.94269300  1
  O  O34  1  0.02519900  0.74271400  0.15967500  1
  O  O35  1  0.54510900  0.71195800  0.13914600  1
  O  O36  1  0.70664700  0.52213500  0.36862300  1
  O  O37  1  0.75761100  0.01443200  0.55730700  1
  O  O38  1  0.89263400  0.70903300  0.96525100  1
  O  O39  1  0.78291300  0.84232400  0.76252200  1
  O  O40  1  0.43048700  0.68403100  0.90797200  1
  O  O41  1  0.20664700  0.47786500  0.13137700  1
  O  O42  1  0.04510900  0.28804200  0.36085400  1
  O  O43  1  0.52519900  0.25728600  0.34032500  1
