# generated using pymatgen
data_LiTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35565900
_cell_length_b   7.07477900
_cell_length_c   9.12180155
_cell_angle_alpha   65.38598092
_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   490.23262912
_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  0.94654800  0.70659200  0.16596600  1
  Li  Li1  1  0.44654800  0.29340800  0.33403400  1
  Li  Li2  1  0.55345200  0.70659200  0.66596600  1
  Li  Li3  1  0.05345200  0.29340800  0.83403400  1
  Ti  Ti4  1  0.57219500  0.76401600  0.11055900  1
  Ti  Ti5  1  0.07219500  0.23598400  0.38944100  1
  Ti  Ti6  1  0.92780500  0.76401600  0.61055900  1
  Ti  Ti7  1  0.42780500  0.23598400  0.88944100  1
  P  P8  1  0.73040800  0.46410200  0.46670700  1
  P  P9  1  0.23040800  0.53589800  0.03329300  1
  P  P10  1  0.73793600  0.05891600  0.75643900  1
  P  P11  1  0.23793600  0.94108400  0.74356100  1
  P  P12  1  0.76206400  0.05891600  0.25643900  1
  P  P13  1  0.26206400  0.94108400  0.24356100  1
  P  P14  1  0.76959200  0.46410200  0.96670700  1
  P  P15  1  0.26959200  0.53589800  0.53329300  1
  O  O16  1  0.59661000  0.52289500  0.34164900  1
  O  O17  1  0.89252200  0.42078000  0.40415100  1
  O  O18  1  0.75157600  0.61915500  0.04376600  1
  O  O19  1  0.25157600  0.38084500  0.45623400  1
  O  O20  1  0.39252200  0.57922000  0.09584900  1
  O  O21  1  0.66466900  0.25199700  0.60358600  1
  O  O22  1  0.09661000  0.47710500  0.15835100  1
  O  O23  1  0.24821800  0.11522000  0.80357000  1
  O  O24  1  0.89008100  0.11484200  0.81379400  1
  O  O25  1  0.59702200  0.01326300  0.88248800  1
  O  O26  1  0.83533100  0.25199700  0.10358600  1
  O  O27  1  0.09702200  0.98673700  0.61751200  1
  O  O28  1  0.25178200  0.11522000  0.30357000  1
  O  O29  1  0.60991900  0.11484200  0.31379400  1
  O  O30  1  0.39008100  0.88515800  0.68620600  1
  O  O31  1  0.74821800  0.88478000  0.69643000  1
  O  O32  1  0.90297800  0.01326300  0.38248800  1
  O  O33  1  0.16466900  0.74800300  0.89641400  1
  O  O34  1  0.40297800  0.98673700  0.11751200  1
  O  O35  1  0.10991900  0.88515800  0.18620600  1
  O  O36  1  0.75178200  0.88478000  0.19643000  1
  O  O37  1  0.90339000  0.52289500  0.84164900  1
  O  O38  1  0.33533100  0.74800300  0.39641400  1
  O  O39  1  0.60747800  0.42078000  0.90415100  1
  O  O40  1  0.74842400  0.61915500  0.54376600  1
  O  O41  1  0.24842400  0.38084500  0.95623400  1
  O  O42  1  0.10747800  0.57922000  0.59584900  1
  O  O43  1  0.40339000  0.47710500  0.65835100  1
