# generated using pymatgen
data_Li2Fe3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93307900
_cell_length_b   7.40709200
_cell_length_c   9.68414201
_cell_angle_alpha   69.78729521
_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   534.00616584
_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  0.91798000  0.29562100  0.63909000  1
  Li  Li1  1  0.08202000  0.70437900  0.36091000  1
  Li  Li2  1  0.58202000  0.29562100  0.13909000  1
  Li  Li3  1  0.41798000  0.70437900  0.86091000  1
  Fe  Fe4  1  0.87690900  0.19332200  0.97837100  1
  Fe  Fe5  1  0.12309100  0.80667800  0.02162900  1
  Fe  Fe6  1  0.62309100  0.19332200  0.47837100  1
  Fe  Fe7  1  0.37690900  0.80667800  0.52162900  1
  Fe  Fe8  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe9  1  0.50000000  0.00000000  0.00000000  1
  P  P10  1  0.44985900  0.59692600  0.28219500  1
  P  P11  1  0.20591400  0.11926400  0.19407300  1
  P  P12  1  0.55014100  0.40307400  0.71780500  1
  P  P13  1  0.29408600  0.11926400  0.69407300  1
  P  P14  1  0.79408600  0.88073600  0.80592700  1
  P  P15  1  0.94985900  0.40307400  0.21780500  1
  P  P16  1  0.05014100  0.59692600  0.78219500  1
  P  P17  1  0.70591400  0.88073600  0.30592700  1
  O  O18  1  0.79019200  0.00826700  0.64104800  1
  O  O19  1  0.49536200  0.38840100  0.29975500  1
  O  O20  1  0.87683300  0.84319300  0.38141500  1
  O  O21  1  0.99536200  0.61159900  0.20024500  1
  O  O22  1  0.37683300  0.15680700  0.11858500  1
  O  O23  1  0.39158900  0.71740600  0.12481600  1
  O  O24  1  0.60841100  0.28259400  0.87518400  1
  O  O25  1  0.12316700  0.15680700  0.61858500  1
  O  O26  1  0.86624100  0.67795400  0.80891800  1
  O  O27  1  0.13375900  0.32204600  0.19108200  1
  O  O28  1  0.89158900  0.28259400  0.37518400  1
  O  O29  1  0.58145200  0.96443200  0.39003500  1
  O  O30  1  0.20980800  0.99173300  0.35895200  1
  O  O31  1  0.29019200  0.99173300  0.85895200  1
  O  O32  1  0.50463800  0.61159900  0.70024500  1
  O  O33  1  0.67153000  0.38170300  0.60195800  1
  O  O34  1  0.82847000  0.38170300  0.10195800  1
  O  O35  1  0.41854800  0.03556800  0.60996500  1
  O  O36  1  0.70980800  0.00826700  0.14104800  1
  O  O37  1  0.36624100  0.32204600  0.69108200  1
  O  O38  1  0.63375900  0.67795400  0.30891800  1
  O  O39  1  0.91854800  0.96443200  0.89003500  1
  O  O40  1  0.62316700  0.84319300  0.88141500  1
  O  O41  1  0.08145200  0.03556800  0.10996500  1
  O  O42  1  0.00463800  0.38840100  0.79975500  1
  O  O43  1  0.17153000  0.61829700  0.89804200  1
  O  O44  1  0.32847000  0.61829700  0.39804200  1
  O  O45  1  0.10841100  0.71740600  0.62481600  1
