# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30007500
_cell_length_b   7.00149600
_cell_length_c   8.96265780
_cell_angle_alpha   68.46971774
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li4 Fe4 P8 O28'
_cell_volume   484.50369401
_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  0.94638000  0.87246400  0.83909700  1
  Li  Li1  1  0.05362000  0.12753600  0.16090300  1
  Li  Li2  1  0.55362000  0.37246400  0.33909700  1
  Li  Li3  1  0.44638000  0.62753600  0.66090300  1
  Fe  Fe4  1  0.42458300  0.12088400  0.12121400  1
  Fe  Fe5  1  0.92458300  0.37911600  0.37878600  1
  Fe  Fe6  1  0.07541700  0.62088400  0.62121400  1
  Fe  Fe7  1  0.57541700  0.87911600  0.87878600  1
  P  P8  1  0.23376300  0.68115000  0.25949700  1
  P  P9  1  0.76623700  0.31885000  0.74050300  1
  P  P10  1  0.26623700  0.18115000  0.75949700  1
  P  P11  1  0.76562400  0.43094800  0.03364700  1
  P  P12  1  0.73437600  0.93094800  0.53364700  1
  P  P13  1  0.23437600  0.56905200  0.96635300  1
  P  P14  1  0.26562400  0.06905200  0.46635300  1
  P  P15  1  0.73376300  0.81885000  0.24050300  1
  O  O16  1  0.74401500  0.58210000  0.30093400  1
  O  O17  1  0.10528100  0.17550000  0.40064800  1
  O  O18  1  0.25129900  0.33361300  0.04081400  1
  O  O19  1  0.40341100  0.13516400  0.34287600  1
  O  O20  1  0.59658900  0.86483600  0.65712400  1
  O  O21  1  0.74870100  0.66638700  0.95918600  1
  O  O22  1  0.89471900  0.82450000  0.59935200  1
  O  O23  1  0.39471900  0.67550000  0.90064800  1
  O  O24  1  0.24870100  0.83361300  0.54081400  1
  O  O25  1  0.66632200  0.85825800  0.39645700  1
  O  O26  1  0.09658900  0.63516400  0.84287600  1
  O  O27  1  0.88601400  0.93245000  0.17967700  1
  O  O28  1  0.24401500  0.91790000  0.19906600  1
  O  O29  1  0.58866700  0.89776600  0.12017200  1
  O  O30  1  0.83367800  0.35825800  0.89645700  1
  O  O31  1  0.75129900  0.16638700  0.45918600  1
  O  O32  1  0.61398600  0.43245000  0.67967700  1
  O  O33  1  0.25598500  0.41790000  0.69906600  1
  O  O34  1  0.08866700  0.60223400  0.37982800  1
  O  O35  1  0.38601400  0.56755000  0.32032300  1
  O  O36  1  0.91133300  0.39776600  0.62017200  1
  O  O37  1  0.16632200  0.64174200  0.10354300  1
  O  O38  1  0.41133300  0.10223400  0.87982800  1
  O  O39  1  0.75598500  0.08210000  0.80093400  1
  O  O40  1  0.11398600  0.06755000  0.82032300  1
  O  O41  1  0.90341100  0.36483600  0.15712400  1
  O  O42  1  0.33367800  0.14174200  0.60354300  1
  O  O43  1  0.60528100  0.32450000  0.09935200  1
