# generated using pymatgen
data_Li3Fe2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83338893
_cell_length_b   9.79090858
_cell_length_c   11.16984656
_cell_angle_alpha   90.32939004
_cell_angle_beta   102.26772811
_cell_angle_gamma   89.49583498
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2(P2O7)2
_chemical_formula_sum   'Li12 Fe8 P16 O56'
_cell_volume   1050.80291298
_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  0.17119923  0.42675965  0.54329707  1
  Li  Li1  1  0.34482152  0.91215380  0.95752614  1
  Li  Li2  1  0.14340498  0.39027247  0.04164244  1
  Li  Li3  1  0.41288800  0.61292344  0.97162827  1
  Li  Li4  1  0.32290492  0.91878380  0.44933876  1
  Li  Li5  1  0.61398317  0.78063063  0.45551138  1
  Li  Li6  1  0.66570358  0.08376808  0.54349342  1
  Li  Li7  1  0.59247060  0.39981099  0.03296490  1
  Li  Li8  1  0.65506466  0.10752045  0.03519309  1
  Li  Li9  1  0.91898560  0.90773448  0.97446205  1
  Li  Li10  1  0.83467338  0.57883857  0.45878880  1
  Li  Li11  1  0.88696930  0.28357168  0.54659343  1
  Fe  Fe12  1  0.19728858  0.92303195  0.66827914  1
  Fe  Fe13  1  0.24706035  0.20986535  0.82320574  1
  Fe  Fe14  1  0.23717976  0.71940321  0.17323986  1
  Fe  Fe15  1  0.30067167  0.42232317  0.32754921  1
  Fe  Fe16  1  0.70013669  0.57591081  0.68461744  1
  Fe  Fe17  1  0.75203731  0.28182171  0.82467173  1
  Fe  Fe18  1  0.74842257  0.77795965  0.16982695  1
  Fe  Fe19  1  0.80520423  0.07054441  0.32380856  1
  P  P20  1  0.02162274  0.45207000  0.75717212  1
  P  P21  1  0.11507626  0.71224773  0.87998265  1
  P  P22  1  0.06882848  0.92417235  0.24648548  1
  P  P23  1  0.12423945  0.14879090  0.42172621  1
  P  P24  1  0.37800190  0.64808109  0.57659006  1
  P  P25  1  0.43658768  0.42949021  0.75949712  1
  P  P26  1  0.51502285  0.04813668  0.74933785  1
  P  P27  1  0.38606028  0.20552747  0.11472706  1
  P  P28  1  0.61956176  0.79849411  0.88468104  1
  P  P29  1  0.48059613  0.95083330  0.24322806  1
  P  P30  1  0.56337362  0.57425269  0.24510012  1
  P  P31  1  0.62427147  0.35095189  0.41798295  1
  P  P32  1  0.87469075  0.85194121  0.57961895  1
  P  P33  1  0.92830927  0.07448927  0.75614986  1
  P  P34  1  0.88407508  0.28777273  0.11506165  1
  P  P35  1  0.98221133  0.54210598  0.25506201  1
  O  O36  1  0.02592898  0.40627766  0.62812152  1
  O  O37  1  0.02618250  0.84114956  0.57037312  1
  O  O38  1  0.07831739  0.07952410  0.73123311  1
  O  O39  1  0.09448066  0.59916069  0.77034617  1
  O  O40  1  0.10441363  0.36285121  0.85934814  1
  O  O41  1  0.19252848  0.82726476  0.82570897  1
  O  O42  1  0.21862965  0.64977625  0.99273087  1
  O  O43  1  0.02363538  0.26499438  0.08781115  1
  O  O44  1  0.12364666  0.07645640  0.29261828  1
  O  O45  1  0.06938219  0.91052260  0.11281859  1
  O  O46  1  0.13142977  0.52162828  0.22498422  1
  O  O47  1  0.18718530  0.29018106  0.41213413  1
  O  O48  1  0.17725855  0.82441304  0.31916179  1
  O  O49  1  0.20766589  0.05562924  0.52115589  1
  O  O50  1  0.29399446  0.55496012  0.47803428  1
  O  O51  1  0.32951285  0.32471457  0.69800026  1
  O  O52  1  0.31560074  0.79090725  0.58644100  1
  O  O53  1  0.36326845  0.02588480  0.77184820  1
  O  O54  1  0.37709248  0.57797574  0.70596674  1
  O  O55  1  0.44474410  0.43998308  0.89569743  1
  O  O56  1  0.48135240  0.77632584  0.91915698  1
  O  O57  1  0.29378191  0.13916737  0.00091019  1
  O  O58  1  0.31392668  0.32807011  0.16537661  1
  O  O59  1  0.40664854  0.09853043  0.22778839  1
  O  O60  1  0.41337702  0.58145055  0.26886856  1
  O  O61  1  0.39787154  0.85887606  0.14346040  1
  O  O62  1  0.47280682  0.34224361  0.42733866  1
  O  O63  1  0.51764396  0.08371701  0.61990645  1
  O  O64  1  0.48088173  0.91169434  0.37429145  1
  O  O65  1  0.53244807  0.65868301  0.56704359  1
  O  O66  1  0.59341563  0.14121107  0.85147665  1
  O  O67  1  0.58299988  0.41634401  0.72560356  1
  O  O68  1  0.59370385  0.90119399  0.76981244  1
  O  O69  1  0.67973410  0.67193778  0.83053715  1
  O  O70  1  0.72457149  0.86545759  0.99207423  1
  O  O71  1  0.52977228  0.23587917  0.09482342  1
  O  O72  1  0.57053034  0.58031498  0.11121001  1
  O  O73  1  0.62650796  0.42539178  0.29038964  1
  O  O74  1  0.63376300  0.96652693  0.22176140  1
  O  O75  1  0.69182959  0.20884205  0.40915613  1
  O  O76  1  0.66370841  0.67873120  0.31995845  1
  O  O77  1  0.71953244  0.43496336  0.51891698  1
  O  O78  1  0.78127104  0.93801226  0.47782652  1
  O  O79  1  0.82933947  0.18034884  0.67774531  1
  O  O80  1  0.80559740  0.71151911  0.58649178  1
  O  O81  1  0.86718010  0.46805919  0.77185580  1
  O  O82  1  0.91363934  0.08333696  0.88663948  1
  O  O83  1  0.86752907  0.92647803  0.70586298  1
  O  O84  1  0.97594245  0.74862401  0.90250910  1
  O  O85  1  0.76994440  0.33483896  0.00400166  1
  O  O86  1  0.81980339  0.16417836  0.17181078  1
  O  O87  1  0.90553075  0.65004430  0.16817962  1
  O  O88  1  0.89454355  0.40212884  0.22095675  1
  O  O89  1  0.92090481  0.91653211  0.27773601  1
  O  O90  1  0.96999213  0.16269263  0.43307568  1
  O  O91  1  0.98842719  0.55963846  0.38994580  1
