# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68690800
_cell_length_b   9.77485472
_cell_length_c   11.20881140
_cell_angle_alpha   90.23533927
_cell_angle_beta   101.27982551
_cell_angle_gamma   90.29969059
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li8 Fe8 P16 O56'
_cell_volume   1040.81147796
_cell_formula_units_Z   8
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  0.88203300  0.70163100  0.54431400  1
  Li  Li1  1  0.59546700  0.61225300  0.02647300  1
  Li  Li2  1  0.60109600  0.96976200  0.49733300  1
  Li  Li3  1  0.40612900  0.39826100  0.96759000  1
  Li  Li4  1  0.34815500  0.10415400  0.95112700  1
  Li  Li5  1  0.07694200  0.90007500  0.02088600  1
  Li  Li6  1  0.16493500  0.57387100  0.53193100  1
  Li  Li7  1  0.11360500  0.28639400  0.45391000  1
  Fe  Fe8  1  0.79487300  0.91777300  0.32555600  1
  Fe  Fe9  1  0.75771700  0.20223900  0.17151000  1
  Fe  Fe10  1  0.76201200  0.72094600  0.83007300  1
  Fe  Fe11  1  0.70608200  0.42240900  0.66881800  1
  Fe  Fe12  1  0.29520000  0.58463800  0.31794900  1
  Fe  Fe13  1  0.24774800  0.28825000  0.17589400  1
  Fe  Fe14  1  0.25176000  0.78891000  0.82688300  1
  Fe  Fe15  1  0.20588700  0.07582400  0.66636100  1
  P  P16  1  0.98171300  0.44798000  0.25163600  1
  P  P17  1  0.88871400  0.71123000  0.11869900  1
  P  P18  1  0.93284500  0.91744000  0.75562400  1
  P  P19  1  0.87477000  0.14533900  0.57887000  1
  P  P20  1  0.62047800  0.64145800  0.42415600  1
  P  P21  1  0.56186900  0.42277700  0.23345700  1
  P  P22  1  0.48093000  0.05293300  0.25167600  1
  P  P23  1  0.61774200  0.21310500  0.88241400  1
  P  P24  1  0.38601000  0.79343400  0.11481600  1
  P  P25  1  0.52487900  0.94497600  0.75474100  1
  P  P26  1  0.44159000  0.57955300  0.76291300  1
  P  P27  1  0.37944300  0.35492700  0.57891500  1
  P  P28  1  0.12426800  0.85371400  0.42868600  1
  P  P29  1  0.07016000  0.07318400  0.23995500  1
  P  P30  1  0.10731500  0.28186100  0.88482800  1
  P  P31  1  0.02635300  0.55153700  0.75903300  1
  O  O32  1  0.98853300  0.43084600  0.38560600  1
  O  O33  1  0.96641100  0.83763500  0.43344300  1
  O  O34  1  0.91454700  0.07771200  0.26121400  1
  O  O35  1  0.89832800  0.58599700  0.21323500  1
  O  O36  1  0.90329900  0.33765600  0.16652000  1
  O  O37  1  0.81442700  0.82026800  0.18230600  1
  O  O38  1  0.78636500  0.66163200  0.99991600  1
  O  O39  1  0.96598900  0.25307000  0.90738200  1
  O  O40  1  0.87903200  0.06295400  0.70616900  1
  O  O41  1  0.91274400  0.89571400  0.88562300  1
  O  O42  1  0.87069000  0.54189600  0.77839000  1
  O  O43  1  0.81652600  0.28448700  0.60176200  1
  O  O44  1  0.83868000  0.80577100  0.68253500  1
  O  O45  1  0.78735700  0.05711800  0.47859900  1
  O  O46  1  0.71428700  0.57236700  0.53210800  1
  O  O47  1  0.65585100  0.30134600  0.28047500  1
  O  O48  1  0.68044500  0.78556600  0.40598900  1
  O  O49  1  0.63424300  0.03407800  0.22418500  1
  O  O50  1  0.63293900  0.55625300  0.30348800  1
  O  O51  1  0.55645700  0.44472200  0.10026600  1
  O  O52  1  0.52820400  0.76427000  0.09151600  1
  O  O53  1  0.71450500  0.16974400  0.00271900  1
  O  O54  1  0.67731600  0.32894900  0.81696200  1
  O  O55  1  0.60977200  0.08525600  0.79003900  1
  O  O56  1  0.59350400  0.58944700  0.73707200  1
  O  O57  1  0.60271600  0.83762000  0.84340800  1
  O  O58  1  0.53168900  0.35087900  0.56526900  1
  O  O59  1  0.47832800  0.07693400  0.38204400  1
  O  O60  1  0.52215300  0.91808200  0.62416400  1
  O  O61  1  0.46451700  0.64645400  0.42881700  1
  O  O62  1  0.39835300  0.15488500  0.15716500  1
  O  O63  1  0.40901600  0.41294400  0.26346700  1
  O  O64  1  0.39639200  0.91164200  0.21567900  1
  O  O65  1  0.31358500  0.67699900  0.17180800  1
  O  O66  1  0.28338100  0.85190300  0.99802700  1
  O  O67  1  0.47005900  0.23716000  0.90290600  1
  O  O68  1  0.43557600  0.57268000  0.89631100  1
  O  O69  1  0.37456600  0.43910100  0.70319000  1
  O  O70  1  0.37151500  0.96521600  0.78575000  1
  O  O71  1  0.31461200  0.21551300  0.59897200  1
  O  O72  1  0.33843500  0.69261700  0.70479200  1
  O  O73  1  0.28032900  0.43215900  0.47742600  1
  O  O74  1  0.20591800  0.93187500  0.53708900  1
  O  O75  1  0.15718300  0.19665500  0.30288600  1
  O  O76  1  0.18391500  0.71152500  0.40810500  1
  O  O77  1  0.13557400  0.46222000  0.22191600  1
  O  O78  1  0.08985300  0.06813900  0.11058000  1
  O  O79  1  0.13359100  0.93742100  0.30760100  1
  O  O80  1  0.03215200  0.74680200  0.10069700  1
  O  O81  1  0.22110500  0.32607000  0.00175200  1
  O  O82  1  0.18358700  0.16961800  0.82236700  1
  O  O83  1  0.10822100  0.65712600  0.84904000  1
  O  O84  1  0.10546700  0.40961100  0.78987100  1
  O  O85  1  0.09133400  0.91330800  0.74256700  1
  O  O86  1  0.03060200  0.15789600  0.56530900  1
  O  O87  1  0.03115400  0.58314700  0.62795800  1
