# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72838900
_cell_length_b   9.81278743
_cell_length_c   11.23481526
_cell_angle_alpha   89.73797848
_cell_angle_beta   78.03177316
_cell_angle_gamma   89.92491186
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li8 Fe8 P16 O56'
_cell_volume   1049.18047275
_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  0.09027400  0.89288400  0.97514200  1
  Li  Li1  1  0.40461500  0.38933400  0.02672600  1
  Li  Li2  1  0.39791200  0.03663300  0.49660200  1
  Li  Li3  1  0.59125600  0.60189400  0.97058000  1
  Li  Li4  1  0.64922000  0.89819800  0.94664200  1
  Li  Li5  1  0.90714500  0.11134500  0.02903500  1
  Li  Li6  1  0.86515800  0.43303200  0.51152100  1
  Li  Li7  1  0.88576300  0.71574200  0.45338000  1
  Fe  Fe8  1  0.20482500  0.08981500  0.32838600  1
  Fe  Fe9  1  0.24532600  0.79733300  0.17743400  1
  Fe  Fe10  1  0.25279300  0.29584800  0.82298500  1
  Fe  Fe11  1  0.29308900  0.58200200  0.66166300  1
  Fe  Fe12  1  0.70343800  0.40959100  0.31908500  1
  Fe  Fe13  1  0.74649400  0.70444500  0.17903700  1
  Fe  Fe14  1  0.75531300  0.21243800  0.82422000  1
  Fe  Fe15  1  0.79299100  0.92649500  0.66281100  1
  P  P16  1  0.01829900  0.55333500  0.24916400  1
  P  P17  1  0.11327100  0.29055100  0.11716900  1
  P  P18  1  0.06150800  0.07572800  0.76485900  1
  P  P19  1  0.12630600  0.85825200  0.57361400  1
  P  P20  1  0.37588800  0.35763900  0.42806400  1
  P  P21  1  0.43456500  0.57423900  0.23675000  1
  P  P22  1  0.51819800  0.94713500  0.25144300  1
  P  P23  1  0.38128700  0.78714800  0.88257000  1
  P  P24  1  0.61152500  0.20765600  0.11542100  1
  P  P25  1  0.47562100  0.05583100  0.75540400  1
  P  P26  1  0.56380500  0.42248000  0.76365300  1
  P  P27  1  0.62483700  0.64395500  0.57799800  1
  P  P28  1  0.87387600  0.14354600  0.42721200  1
  P  P29  1  0.93308600  0.92648500  0.23979900  1
  P  P30  1  0.88626900  0.71462400  0.88307500  1
  P  P31  1  0.97742100  0.44755300  0.75471400  1
  O  O32  1  0.00913100  0.57062300  0.38312200  1
  O  O33  1  0.02977600  0.15252900  0.42961300  1
  O  O34  1  0.08559900  0.92008600  0.26526700  1
  O  O35  1  0.10532800  0.41766500  0.20936800  1
  O  O36  1  0.09848100  0.66518700  0.16614600  1
  O  O37  1  0.18610300  0.18079300  0.18021000  1
  O  O38  1  0.21517600  0.33851200  0.99686600  1
  O  O39  1  0.02918400  0.74411000  0.90302700  1
  O  O40  1  0.12366800  0.93890900  0.69954100  1
  O  O41  1  0.05785600  0.06004300  0.89854800  1
  O  O42  1  0.13102800  0.46550500  0.77683300  1
  O  O43  1  0.18378500  0.71835200  0.59642200  1
  O  O44  1  0.16003000  0.19342900  0.71258700  1
  O  O45  1  0.21581000  0.94321800  0.47286400  1
  O  O46  1  0.29105300  0.43244400  0.53636800  1
  O  O47  1  0.34271600  0.69770300  0.28509600  1
  O  O48  1  0.32281600  0.21331000  0.40682500  1
  O  O49  1  0.36681100  0.96502000  0.22161800  1
  O  O50  1  0.36321700  0.44275500  0.30639500  1
  O  O51  1  0.43931700  0.55609100  0.10337400  1
  O  O52  1  0.46914600  0.24029700  0.09652200  1
  O  O53  1  0.27692600  0.83220800  0.00250500  1
  O  O54  1  0.32313200  0.67292000  0.81622000  1
  O  O55  1  0.38964300  0.91620600  0.79269400  1
  O  O56  1  0.41312600  0.41369600  0.73605200  1
  O  O57  1  0.39724600  0.16298500  0.84450500  1
  O  O58  1  0.47251700  0.65260900  0.56630900  1
  O  O59  1  0.51848200  0.92535200  0.38233000  1
  O  O60  1  0.47752500  0.08132500  0.62489800  1
  O  O61  1  0.53372900  0.35159800  0.42717000  1
  O  O62  1  0.60365000  0.84366100  0.15937300  1
  O  O63  1  0.58749200  0.58342500  0.26466500  1
  O  O64  1  0.60307400  0.08687300  0.21311100  1
  O  O65  1  0.68669800  0.32105400  0.17140500  1
  O  O66  1  0.71325800  0.15042400  0.99674200  1
  O  O67  1  0.52463500  0.76330500  0.90927300  1
  O  O68  1  0.56497000  0.43157100  0.89722300  1
  O  O69  1  0.62903600  0.56144500  0.70261400  1
  O  O70  1  0.62759200  0.03201200  0.78539600  1
  O  O71  1  0.69121300  0.78226400  0.59635000  1
  O  O72  1  0.66402500  0.30665900  0.70781400  1
  O  O73  1  0.72252200  0.56637800  0.47576300  1
  O  O74  1  0.78820800  0.06798500  0.53594800  1
  O  O75  1  0.84313300  0.80246600  0.29592000  1
  O  O76  1  0.81681000  0.28632600  0.40566400  1
  O  O77  1  0.86586100  0.53675200  0.21933300  1
  O  O78  1  0.92901800  0.93770900  0.10706500  1
  O  O79  1  0.86107000  0.05855800  0.30669300  1
  O  O80  1  0.96954500  0.25759000  0.10167800  1
  O  O81  1  0.77774400  0.67317400  0.00363200  1
  O  O82  1  0.81332500  0.82896500  0.82263800  1
  O  O83  1  0.89829700  0.34070700  0.84659300  1
  O  O84  1  0.89101500  0.58740700  0.79378100  1
  O  O85  1  0.90949000  0.08785500  0.73685200  1
  O  O86  1  0.97083700  0.84572100  0.56176900  1
  O  O87  1  0.96945000  0.42288600  0.62642200  1
