# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16133200
_cell_length_b   8.14329500
_cell_length_c   13.66739286
_cell_angle_alpha   69.97843608
_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   539.72673603
_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  0.50719400  0.42880900  0.82541000  1
  Li  Li1  1  0.92297100  0.97520000  0.16404100  1
  Li  Li2  1  0.07702900  0.97520000  0.66404100  1
  Li  Li3  1  0.49280600  0.42880900  0.32541000  1
  Fe  Fe4  1  0.01480500  0.72876600  0.36661000  1
  Fe  Fe5  1  0.98519500  0.72876600  0.86661000  1
  Fe  Fe6  1  0.50656200  0.26916300  0.14454700  1
  Fe  Fe7  1  0.49343800  0.26916300  0.64454700  1
  P  P8  1  0.45738100  0.82087600  0.20025800  1
  P  P9  1  0.01438600  0.30063500  0.98104200  1
  P  P10  1  0.52089000  0.69645200  0.51999000  1
  P  P11  1  0.54261900  0.82087600  0.70025800  1
  P  P12  1  0.98484600  0.17779700  0.30375600  1
  P  P13  1  0.98561400  0.30063500  0.48104200  1
  P  P14  1  0.47911000  0.69645200  0.01999000  1
  P  P15  1  0.01515400  0.17779700  0.80375600  1
  O  O16  1  0.97309000  0.15565500  0.92492700  1
  O  O17  1  0.27253900  0.27570700  0.77138500  1
  O  O18  1  0.78123500  0.28053100  0.74356000  1
  O  O19  1  0.44302500  0.51973600  0.59694900  1
  O  O20  1  0.30489100  0.30694400  0.00352400  1
  O  O21  1  0.80515100  0.70221600  0.48699800  1
  O  O22  1  0.90129700  0.47070000  0.90464600  1
  O  O23  1  0.34002900  0.76878400  0.42713000  1
  O  O24  1  0.49994600  0.01058000  0.19181300  1
  O  O25  1  0.34649400  0.69455100  0.77130100  1
  O  O26  1  0.96765000  0.99201700  0.30175200  1
  O  O27  1  0.82693100  0.76360000  0.72364200  1
  O  O28  1  0.49101900  0.83418000  0.58074900  1
  O  O29  1  0.85616600  0.22244400  0.08099700  1
  O  O30  1  0.65997100  0.76878400  0.92713000  1
  O  O31  1  0.02691000  0.15565500  0.42492700  1
  O  O32  1  0.72746100  0.27570700  0.27138500  1
  O  O33  1  0.50005400  0.01058000  0.69181300  1
  O  O34  1  0.21876500  0.28053100  0.24356000  1
  O  O35  1  0.03235000  0.99201700  0.80175200  1
  O  O36  1  0.14383400  0.22244400  0.58099700  1
  O  O37  1  0.55697500  0.51973600  0.09694900  1
  O  O38  1  0.69510900  0.30694400  0.50352400  1
  O  O39  1  0.19484900  0.70221600  0.98699800  1
  O  O40  1  0.09870300  0.47070000  0.40464600  1
  O  O41  1  0.65350600  0.69455100  0.27130100  1
  O  O42  1  0.17306900  0.76360000  0.22364200  1
  O  O43  1  0.50898100  0.83418000  0.08074900  1
