# generated using pymatgen
data_Li7Fe7P6(O8F)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.59600802
_cell_length_b   13.59975550
_cell_length_c   6.41020420
_cell_angle_alpha   90.14565603
_cell_angle_beta   90.16572818
_cell_angle_gamma   60.10115200
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7Fe7P6(O8F)3
_chemical_formula_sum   'Li14 Fe14 P12 O48 F6'
_cell_volume   1027.50656601
_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  0.25881782  0.92320480  0.25474254  1
  Li  Li1  1  0.18157775  0.74114834  0.75633482  1
  Li  Li2  1  0.50469649  0.87237433  0.75622574  1
  Li  Li3  1  0.12709177  0.37692849  0.25649512  1
  Li  Li4  1  0.07689303  0.18207465  0.75547564  1
  Li  Li5  1  0.37670871  0.49539652  0.25584727  1
  Li  Li6  1  0.33306220  0.33356995  0.42936455  1
  Li  Li7  1  0.66709216  0.66630078  0.92942950  1
  Li  Li8  1  0.62332440  0.50445731  0.75669632  1
  Li  Li9  1  0.92328075  0.81785930  0.25824830  1
  Li  Li10  1  0.87222556  0.62286868  0.75600146  1
  Li  Li11  1  0.49524036  0.12770898  0.25688762  1
  Li  Li12  1  0.81854293  0.25920401  0.25801349  1
  Li  Li13  1  0.74128648  0.07659384  0.75871874  1
  Fe  Fe14  1  0.12659771  0.57660606  0.00822060  1
  Fe  Fe15  1  0.12185369  0.58201090  0.51301941  1
  Fe  Fe16  1  0.42275910  0.70316717  0.50746040  1
  Fe  Fe17  1  0.41854974  0.70403253  0.01288949  1
  Fe  Fe18  1  0.70361107  0.87800706  0.01413423  1
  Fe  Fe19  1  0.70339202  0.87334660  0.50871395  1
  Fe  Fe20  1  0.00004238  0.00000525  0.00586901  1
  Fe  Fe21  1  0.00010396  0.99984490  0.50601960  1
  Fe  Fe22  1  0.29667690  0.12607219  0.00785310  1
  Fe  Fe23  1  0.29632747  0.12262176  0.51332925  1
  Fe  Fe24  1  0.58124602  0.29628734  0.51428218  1
  Fe  Fe25  1  0.57762576  0.29656880  0.00895231  1
  Fe  Fe26  1  0.87793549  0.41880613  0.01385464  1
  Fe  Fe27  1  0.87354405  0.42257459  0.50919589  1
  P  P28  1  0.24664102  0.93636304  0.75547017  1
  P  P29  1  0.18273055  0.75352415  0.25679526  1
  P  P30  1  0.48686418  0.88355426  0.26020017  1
  P  P31  1  0.11659967  0.37036801  0.76018147  1
  P  P32  1  0.37023328  0.51310747  0.76092129  1
  P  P33  1  0.06388449  0.18326789  0.25657031  1
  P  P34  1  0.93618022  0.81675277  0.75962743  1
  P  P35  1  0.62982851  0.48680014  0.26148822  1
  P  P36  1  0.88332845  0.62977421  0.26085193  1
  P  P37  1  0.51317304  0.11645109  0.76163335  1
  P  P38  1  0.81719108  0.24638931  0.76025008  1
  P  P39  1  0.75333396  0.06376732  0.26037168  1
  O  O40  1  0.11230254  0.01054652  0.75244996  1
  O  O41  1  0.12322846  0.88735791  0.25268110  1
  O  O42  1  0.00780506  0.68421360  0.75831528  1
  O  O43  1  0.37079618  0.99880150  0.25388770  1
  O  O44  1  0.28330879  0.86258569  0.55765532  1
  O  O45  1  0.14547832  0.71606766  0.05978683  1
  O  O46  1  0.28135337  0.86310580  0.95407794  1
  O  O47  1  0.14468967  0.71916726  0.45618250  1
  O  O48  1  0.31550559  0.69262682  0.25831559  1
  O  O49  1  0.00121361  0.36933276  0.75444742  1
  O  O50  1  0.55056680  0.88141328  0.46112096  1
  O  O51  1  0.11859848  0.43198428  0.96106563  1
  O  O52  1  0.45958864  0.78551006  0.26263984  1
  O  O53  1  0.12996882  0.42682467  0.56016489  1
  O  O54  1  0.55662290  0.87019543  0.06036599  1
  O  O55  1  0.69250320  0.99181583  0.25915926  1
  O  O56  1  0.24525723  0.54036664  0.76229125  1
  O  O57  1  0.36973711  0.62920813  0.75408537  1
  O  O58  1  0.98917680  0.12315144  0.25427013  1
  O  O59  1  0.21434384  0.24536942  0.76317449  1
  O  O60  1  0.13713188  0.14510274  0.45535986  1
  O  O61  1  0.43191983  0.44971215  0.96192776  1
  O  O62  1  0.13723141  0.14564377  0.05895840  1
  O  O63  1  0.57320898  0.55705705  0.06133570  1
  O  O64  1  0.42702754  0.44273064  0.56113920  1
  O  O65  1  0.86185627  0.85504675  0.56232496  1
  O  O66  1  0.56808899  0.55014178  0.46210979  1
  O  O67  1  0.86399457  0.85448651  0.95874901  1
  O  O68  1  0.78553674  0.75469890  0.26313417  1
  O  O69  1  0.01097889  0.87681953  0.75964332  1
  O  O70  1  0.63038800  0.37069280  0.25463739  1
  O  O71  1  0.75481958  0.45963507  0.26429856  1
  O  O72  1  0.30747025  0.00830269  0.75842462  1
  O  O73  1  0.44284807  0.13020917  0.56124362  1
  O  O74  1  0.86969053  0.57337920  0.06011695  1
  O  O75  1  0.54048170  0.21437638  0.76463325  1
  O  O76  1  0.88137018  0.56801355  0.46099343  1
  O  O77  1  0.44981040  0.11811874  0.96196119  1
  O  O78  1  0.99873584  0.63059615  0.25531662  1
  O  O79  1  0.68442690  0.30735328  0.75989088  1
  O  O80  1  0.85425311  0.28280853  0.95908842  1
  O  O81  1  0.71756420  0.13692690  0.45909447  1
  O  O82  1  0.85567909  0.28169852  0.56261704  1
  O  O83  1  0.71760858  0.13750312  0.06265787  1
  O  O84  1  0.62917884  0.00121724  0.75564649  1
  O  O85  1  0.99243400  0.31580711  0.25843975  1
  O  O86  1  0.87668683  0.11257243  0.76131663  1
  O  O87  1  0.88769101  0.98945206  0.26157919  1
  F  F88  1  0.24414438  0.48166052  0.27441202  1
  F  F89  1  0.51849162  0.72584497  0.77270644  1
  F  F90  1  0.72578412  0.75572491  0.77455287  1
  F  F91  1  0.27405818  0.24453123  0.27241801  1
  F  F92  1  0.48156483  0.27407130  0.27279899  1
  F  F93  1  0.75580305  0.51855668  0.77348118  1
