# generated using pymatgen
data_LiTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37747440
_cell_length_b   6.38900127
_cell_length_c   13.21855043
_cell_angle_alpha   78.66480155
_cell_angle_beta   78.28969159
_cell_angle_gamma   100.28073137
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiP2O7
_chemical_formula_sum   'Li4 Ti4 P8 O28'
_cell_volume   503.54922983
_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  0.38444200  0.97096000  0.37649500  1
  Li  Li1  1  0.15299000  0.22668200  0.87751900  1
  Li  Li2  1  0.85041800  0.76894400  0.12134600  1
  Li  Li3  1  0.60899900  0.03646800  0.62634200  1
  Ti  Ti4  1  0.22994100  0.59148100  0.64503600  1
  Ti  Ti5  1  0.73604100  0.87811300  0.85621300  1
  Ti  Ti6  1  0.26289900  0.12464500  0.14197300  1
  Ti  Ti7  1  0.76914500  0.40505200  0.35647800  1
  P  P8  1  0.22502100  0.75379800  0.86567900  1
  P  P9  1  0.34534100  0.66816800  0.07357700  1
  P  P10  1  0.24326800  0.42200500  0.42590100  1
  P  P11  1  0.87988800  0.90648000  0.36648300  1
  P  P12  1  0.12196800  0.09359300  0.63448200  1
  P  P13  1  0.75821200  0.58119800  0.57391700  1
  P  P14  1  0.65473200  0.33514300  0.92604400  1
  P  P15  1  0.77468300  0.24858900  0.13215600  1
  O  O16  1  0.04652500  0.88365800  0.88691300  1
  O  O17  1  0.20877800  0.81196500  0.12551400  1
  O  O18  1  0.27058000  0.93484600  0.61346100  1
  O  O19  1  0.44987900  0.91114300  0.81367300  1
  O  O20  1  0.08753900  0.46703000  0.35447600  1
  O  O21  1  0.17160100  0.57278800  0.80789800  1
  O  O22  1  0.23145000  0.61408000  0.98009200  1
  O  O23  1  0.30684200  0.61304000  0.47631700  1
  O  O24  1  0.58724100  0.78466000  0.02365000  1
  O  O25  1  0.31917500  0.44147900  0.14496400  1
  O  O26  1  0.09691700  0.21366300  0.51977200  1
  O  O27  1  0.56025300  0.66231500  0.62599900  1
  O  O28  1  0.88094500  0.98562900  0.69291300  1
  O  O29  1  0.22756700  0.26484400  0.68651400  1
  O  O30  1  0.77216800  0.73118000  0.31744300  1
  O  O31  1  0.11926000  0.01601500  0.30600000  1
  O  O32  1  0.43921000  0.33937400  0.37237800  1
  O  O33  1  0.90844500  0.79053700  0.48142400  1
  O  O34  1  0.67776300  0.56148100  0.85450500  1
  O  O35  1  0.41273300  0.21773800  0.97493900  1
  O  O36  1  0.69546900  0.38990400  0.52345000  1
  O  O37  1  0.76716000  0.39516500  0.01914600  1
  O  O38  1  0.82608800  0.42459000  0.19312900  1
  O  O39  1  0.91137000  0.53433600  0.64647600  1
  O  O40  1  0.54994400  0.09039500  0.18178600  1
  O  O41  1  0.73108900  0.06528200  0.38691900  1
  O  O42  1  0.79208800  0.19102100  0.87472700  1
  O  O43  1  0.95514300  0.12244700  0.10785700  1
