# generated using pymatgen
data_Li2Fe3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03612900
_cell_length_b   7.83607100
_cell_length_c   9.17762533
_cell_angle_alpha   70.90641020
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe3(P2O7)2
_chemical_formula_sum   'Li4 Fe6 P8 O28'
_cell_volume   614.09598821
_cell_formula_units_Z   2
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  0.52935500  0.73367400  0.84201700  1
  Li  Li1  1  0.47064500  0.26632600  0.15798300  1
  Li  Li2  1  0.97064500  0.73367400  0.34201700  1
  Li  Li3  1  0.02935500  0.26632600  0.65798300  1
  Fe  Fe4  1  0.71602000  0.51348800  0.54313000  1
  Fe  Fe5  1  0.28398000  0.48651200  0.45687000  1
  Fe  Fe6  1  0.21602000  0.48651200  0.95687000  1
  Fe  Fe7  1  0.78398000  0.51348800  0.04313000  1
  Fe  Fe8  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe9  1  0.50000000  0.00000000  0.50000000  1
  P  P10  1  0.29508300  0.89910600  0.24126600  1
  P  P11  1  0.70491700  0.10089400  0.75873400  1
  P  P12  1  0.52330000  0.62375300  0.21979200  1
  P  P13  1  0.47670000  0.37624700  0.78020800  1
  P  P14  1  0.02330000  0.37624700  0.28020800  1
  P  P15  1  0.20491700  0.89910600  0.74126600  1
  P  P16  1  0.97670000  0.62375300  0.71979200  1
  P  P17  1  0.79508300  0.10089400  0.25873400  1
  O  O18  1  0.41068300  0.37228100  0.93597600  1
  O  O19  1  0.07804700  0.80116300  0.67028700  1
  O  O20  1  0.92516400  0.54562300  0.21281500  1
  O  O21  1  0.63779900  0.63916500  0.33655900  1
  O  O22  1  0.38285100  0.03220400  0.29976200  1
  O  O23  1  0.86220100  0.63916500  0.83655900  1
  O  O24  1  0.19342500  0.99348900  0.10810400  1
  O  O25  1  0.13779900  0.36083500  0.16344100  1
  O  O26  1  0.57483600  0.54562300  0.71281500  1
  O  O27  1  0.30657500  0.99348900  0.60810400  1
  O  O28  1  0.61714900  0.96779600  0.70023800  1
  O  O29  1  0.11714900  0.03220400  0.79976200  1
  O  O30  1  0.78602600  0.25250800  0.63270600  1
  O  O31  1  0.91068300  0.62771900  0.56402400  1
  O  O32  1  0.57804700  0.19883700  0.82971300  1
  O  O33  1  0.69342500  0.00651100  0.39189600  1
  O  O34  1  0.08931700  0.37228100  0.43597600  1
  O  O35  1  0.71397400  0.25250800  0.13270600  1
  O  O36  1  0.42195300  0.80116300  0.17028700  1
  O  O37  1  0.36220100  0.36083500  0.66344100  1
  O  O38  1  0.58931700  0.62771900  0.06402400  1
  O  O39  1  0.28602600  0.74749200  0.86729400  1
  O  O40  1  0.80657500  0.00651100  0.89189600  1
  O  O41  1  0.88285100  0.96779600  0.20023800  1
  O  O42  1  0.92195300  0.19883700  0.32971300  1
  O  O43  1  0.07483600  0.45437700  0.78718500  1
  O  O44  1  0.21397400  0.74749200  0.36729400  1
  O  O45  1  0.42516400  0.45437700  0.28718500  1
