# generated using pymatgen
data_Fe96P383
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.30953481
_cell_length_b   27.07516387
_cell_length_c   18.90189358
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.96555913
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe96P383
_chemical_formula_sum   'Fe96 P383'
_cell_volume   10392.372659
_cell_formula_units_Z   1
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
  Fe  Fe1  1  0.158486  0.187891  0.164581  1
  Fe  Fe2  1  0.159318  0.185655  0.663438  1
  Fe  Fe3  1  0.159505  0.685793  0.162697  1
  Fe  Fe4  1  0.159526  0.685824  0.662654  1
  Fe  Fe5  1  0.492616  0.185663  0.162560  1
  Fe  Fe6  1  0.492712  0.185722  0.662696  1
  Fe  Fe7  1  0.492824  0.685782  0.162705  1
  Fe  Fe8  1  0.492845  0.685775  0.662598  1
  Fe  Fe9  1  0.826311  0.185756  0.162567  1
  Fe  Fe10  1  0.826066  0.185771  0.662798  1
  Fe  Fe11  1  0.826164  0.685840  0.162725  1
  Fe  Fe12  1  0.826187  0.685868  0.662624  1
  Fe  Fe13  1  0.325923  0.063705  0.412328  1
  Fe  Fe14  1  0.328378  0.063259  0.910681  1
  Fe  Fe15  1  0.326135  0.563593  0.412738  1
  Fe  Fe16  1  0.326107  0.563575  0.912692  1
  Fe  Fe17  1  0.659373  0.063630  0.412550  1
  Fe  Fe18  1  0.659626  0.063635  0.912628  1
  Fe  Fe19  1  0.659456  0.563615  0.412700  1
  Fe  Fe20  1  0.659444  0.563641  0.912701  1
  Fe  Fe21  1  0.992810  0.063631  0.412514  1
  Fe  Fe22  1  0.991269  0.063209  0.911607  1
  Fe  Fe23  1  0.992798  0.563680  0.412802  1
  Fe  Fe24  1  0.992791  0.563669  0.912639  1
  Fe  Fe25  1  0.080300  0.132438  0.050711  1
  Fe  Fe26  1  0.083747  0.128417  0.549616  1
  Fe  Fe27  1  0.083666  0.628423  0.049487  1
  Fe  Fe28  1  0.083652  0.628443  0.549563  1
  Fe  Fe29  1  0.416986  0.128285  0.049525  1
  Fe  Fe30  1  0.416906  0.128373  0.549392  1
  Fe  Fe31  1  0.416981  0.628370  0.049524  1
  Fe  Fe32  1  0.416957  0.628369  0.549489  1
  Fe  Fe33  1  0.750478  0.128270  0.049511  1
  Fe  Fe34  1  0.750375  0.128389  0.549463  1
  Fe  Fe35  1  0.750309  0.628430  0.049526  1
  Fe  Fe36  1  0.750308  0.628433  0.549520  1
  Fe  Fe37  1  0.249949  0.120798  0.297379  1
  Fe  Fe38  1  0.250287  0.121066  0.801138  1
  Fe  Fe39  1  0.250306  0.621008  0.299559  1
  Fe  Fe40  1  0.250312  0.620967  0.799500  1
  Fe  Fe41  1  0.583557  0.121023  0.299449  1
  Fe  Fe42  1  0.583629  0.121024  0.799493  1
  Fe  Fe43  1  0.583630  0.621007  0.299548  1
  Fe  Fe44  1  0.583652  0.620993  0.799468  1
  Fe  Fe45  1  0.917114  0.121043  0.299103  1
  Fe  Fe46  1  0.916858  0.121100  0.799652  1
  Fe  Fe47  1  0.916970  0.621066  0.299582  1
  Fe  Fe48  1  0.916981  0.621070  0.799474  1
  Fe  Fe49  1  0.326064  0.435779  0.162699  1
  Fe  Fe50  1  0.326056  0.435683  0.662788  1
  Fe  Fe51  1  0.325844  0.936039  0.162368  1
  Fe  Fe52  1  0.326291  0.935757  0.662537  1
  Fe  Fe53  1  0.659419  0.435802  0.162771  1
  Fe  Fe54  1  0.659406  0.435780  0.662630  1
  Fe  Fe55  1  0.659685  0.935809  0.162645  1
  Fe  Fe56  1  0.659562  0.935846  0.662574  1
  Fe  Fe57  1  0.992620  0.436054  0.162848  1
  Fe  Fe58  1  0.992809  0.435766  0.662700  1
  Fe  Fe59  1  0.993159  0.935897  0.162441  1
  Fe  Fe60  1  0.992906  0.935875  0.663097  1
  Fe  Fe61  1  0.159385  0.313567  0.412913  1
  Fe  Fe62  1  0.159427  0.313372  0.912827  1
  Fe  Fe63  1  0.159570  0.813720  0.412627  1
  Fe  Fe64  1  0.159538  0.813648  0.912698  1
  Fe  Fe65  1  0.492627  0.313491  0.412694  1
  Fe  Fe66  1  0.492810  0.313650  0.912684  1
  Fe  Fe67  1  0.492864  0.813657  0.412582  1
  Fe  Fe68  1  0.492995  0.813507  0.912608  1
  Fe  Fe69  1  0.826111  0.313590  0.412819  1
  Fe  Fe70  1  0.825884  0.313818  0.912685  1
  Fe  Fe71  1  0.826256  0.813715  0.412674  1
  Fe  Fe72  1  0.826180  0.813614  0.912660  1
  Fe  Fe73  1  0.250153  0.378392  0.049591  1
  Fe  Fe74  1  0.250207  0.378292  0.549668  1
  Fe  Fe75  1  0.250245  0.878376  0.049310  1
  Fe  Fe76  1  0.250428  0.878413  0.549376  1
  Fe  Fe77  1  0.583617  0.378425  0.049542  1
  Fe  Fe78  1  0.583486  0.378305  0.549536  1
  Fe  Fe79  1  0.583800  0.878316  0.049493  1
  Fe  Fe80  1  0.583737  0.878459  0.549388  1
  Fe  Fe81  1  0.916784  0.378703  0.049557  1
  Fe  Fe82  1  0.916926  0.378379  0.549681  1
  Fe  Fe83  1  0.917014  0.878334  0.049501  1
  Fe  Fe84  1  0.917115  0.878544  0.549587  1
  Fe  Fe85  1  0.083576  0.371084  0.299724  1
  Fe  Fe86  1  0.083575  0.370901  0.799612  1
  Fe  Fe87  1  0.083779  0.871132  0.299339  1
  Fe  Fe88  1  0.083818  0.871027  0.799529  1
  Fe  Fe89  1  0.416882  0.370939  0.299497  1
  Fe  Fe90  1  0.416856  0.370942  0.799574  1
  Fe  Fe91  1  0.416951  0.871098  0.299483  1
  Fe  Fe92  1  0.417172  0.870946  0.799344  1
  Fe  Fe93  1  0.750195  0.371067  0.299666  1
  Fe  Fe94  1  0.750180  0.371083  0.799427  1
  Fe  Fe95  1  0.750452  0.871073  0.299496  1
  Fe  Fe96  1  0.750460  0.871027  0.799443  1
  P  P97  1  0.331249  0.186607  0.044403  1
  P  P98  1  0.331013  0.186476  0.544903  1
  P  P99  1  0.331226  0.686567  0.044775  1
  P  P100  1  0.331226  0.686596  0.544725  1
  P  P101  1  0.664458  0.186578  0.044808  1
  P  P102  1  0.664468  0.186556  0.544717  1
  P  P103  1  0.664564  0.686609  0.044794  1
  P  P104  1  0.664564  0.686643  0.544712  1
  P  P105  1  0.996608  0.188039  0.045429  1
  P  P106  1  0.997892  0.186610  0.544881  1
  P  P107  1  0.997907  0.686650  0.044734  1
  P  P108  1  0.997919  0.686703  0.544801  1
  P  P109  1  0.164347  0.062726  0.294839  1
  P  P110  1  0.164730  0.062640  0.794668  1
  P  P111  1  0.164519  0.562829  0.294866  1
  P  P112  1  0.164541  0.562769  0.794755  1
  P  P113  1  0.497656  0.062860  0.294481  1
  P  P114  1  0.497898  0.062773  0.794806  1
  P  P115  1  0.497844  0.562775  0.294810  1
  P  P116  1  0.497875  0.562773  0.794745  1
  P  P117  1  0.831408  0.062832  0.294458  1
  P  P118  1  0.831159  0.062867  0.794835  1
  P  P119  1  0.831198  0.562857  0.294885  1
  P  P120  1  0.831179  0.562856  0.794708  1
  P  P121  1  0.331661  0.061956  0.043684  1
  P  P122  1  0.330851  0.062434  0.544408  1
  P  P123  1  0.330932  0.562328  0.044433  1
  P  P124  1  0.330949  0.562301  0.544467  1
  P  P125  1  0.664543  0.062330  0.044413  1
  P  P126  1  0.664291  0.062386  0.544307  1
  P  P127  1  0.664287  0.562370  0.044454  1
  P  P128  1  0.664274  0.562368  0.544415  1
  P  P129  1  0.000192  0.062767  0.044263  1
  P  P130  1  0.997636  0.062401  0.544386  1
  P  P131  1  0.997580  0.562453  0.044394  1
  P  P132  1  0.997629  0.562407  0.544519  1
  P  P133  1  0.329804  0.058982  0.288986  1
  P  P134  1  0.330332  0.058776  0.789575  1
  P  P135  1  0.330323  0.558936  0.289832  1
  P  P136  1  0.330371  0.558935  0.789780  1
  P  P137  1  0.663715  0.059016  0.289673  1
  P  P138  1  0.663747  0.058995  0.789754  1
  P  P139  1  0.663689  0.558990  0.289840  1
  P  P140  1  0.663688  0.558998  0.789751  1
  P  P141  1  0.997283  0.059086  0.289438  1
  P  P142  1  0.997452  0.059050  0.790091  1
  P  P143  1  0.997038  0.559080  0.289912  1
  P  P144  1  0.997009  0.559022  0.789744  1
  P  P145  1  0.161769  0.063870  0.543071  1
  P  P146  1  0.161613  0.563782  0.043000  1
  P  P147  1  0.161632  0.563782  0.543115  1
  P  P148  1  0.495239  0.063718  0.042843  1
  P  P149  1  0.494814  0.063815  0.542919  1
  P  P150  1  0.494965  0.563767  0.043072  1
  P  P151  1  0.494930  0.563733  0.543016  1
  P  P152  1  0.828930  0.063852  0.042936  1
  P  P153  1  0.828426  0.063824  0.543063  1
  P  P154  1  0.828284  0.563831  0.043052  1
  P  P155  1  0.828292  0.563821  0.543060  1
  P  P156  1  0.079630  0.001616  0.417741  1
  P  P157  1  0.080690  0.002242  0.918978  1
  P  P158  1  0.079605  0.501638  0.417917  1
  P  P159  1  0.079571  0.501620  0.917699  1
  P  P160  1  0.412799  0.001718  0.417439  1
  P  P161  1  0.413672  0.001123  0.917390  1
  P  P162  1  0.412879  0.501505  0.417781  1
  P  P163  1  0.412935  0.501577  0.917769  1
  P  P164  1  0.746389  0.001682  0.417637  1
  P  P165  1  0.746498  0.001627  0.917818  1
  P  P166  1  0.746244  0.501582  0.417819  1
  P  P167  1  0.746237  0.501627  0.917725  1
  P  P168  1  0.079568  0.497993  0.167802  1
  P  P169  1  0.079609  0.497800  0.667803  1
  P  P170  1  0.080017  0.997628  0.167570  1
  P  P171  1  0.079758  0.997856  0.667710  1
  P  P172  1  0.412880  0.497798  0.167783  1
  P  P173  1  0.412892  0.497733  0.667782  1
  P  P174  1  0.413018  0.997787  0.167528  1
  P  P175  1  0.413062  0.997812  0.667664  1
  P  P176  1  0.746229  0.497844  0.167855  1
  P  P177  1  0.746208  0.497848  0.667702  1
  P  P178  1  0.746525  0.997869  0.167629  1
  P  P179  1  0.746411  0.997874  0.667710  1
  P  P180  1  0.164129  0.187038  0.294589  1
  P  P181  1  0.163986  0.186566  0.795440  1
  P  P182  1  0.164306  0.687077  0.294457  1
  P  P183  1  0.164340  0.687060  0.794383  1
  P  P184  1  0.497318  0.186971  0.294179  1
  P  P185  1  0.497554  0.187048  0.794478  1
  P  P186  1  0.497634  0.687050  0.294444  1
  P  P187  1  0.497643  0.687020  0.794350  1
  P  P188  1  0.830996  0.187026  0.294327  1
  P  P189  1  0.830990  0.187063  0.794585  1
  P  P190  1  0.830989  0.687118  0.294475  1
  P  P191  1  0.830950  0.687095  0.794361  1
  P  P192  1  0.243620  0.123576  0.164187  1
  P  P193  1  0.245670  0.124225  0.667471  1
  P  P194  1  0.245773  0.624249  0.166795  1
  P  P195  1  0.245807  0.624265  0.666748  1
  P  P196  1  0.578989  0.124233  0.166710  1
  P  P197  1  0.579011  0.124248  0.666732  1
  P  P198  1  0.579130  0.624272  0.166803  1
  P  P199  1  0.579129  0.624267  0.666698  1
  P  P200  1  0.912738  0.124332  0.166316  1
  P  P201  1  0.912507  0.124278  0.667013  1
  P  P202  1  0.912470  0.624350  0.166813  1
  P  P203  1  0.912464  0.624345  0.666732  1
  P  P204  1  0.245505  0.498761  0.168256  1
  P  P205  1  0.245560  0.498701  0.668297  1
  P  P206  1  0.245367  0.998969  0.166847  1
  P  P207  1  0.245659  0.998676  0.668117  1
  P  P208  1  0.578866  0.498780  0.168303  1
  P  P209  1  0.578844  0.498767  0.668182  1
  P  P210  1  0.579061  0.998756  0.168175  1
  P  P211  1  0.579017  0.998806  0.668109  1
  P  P212  1  0.912174  0.498930  0.168352  1
  P  P213  1  0.912224  0.498803  0.668234  1
  P  P214  1  0.912744  0.998967  0.167710  1
  P  P215  1  0.912488  0.998900  0.668570  1
  P  P216  1  0.327671  0.185319  0.291978  1
  P  P217  1  0.327781  0.185379  0.794019  1
  P  P218  1  0.328305  0.685617  0.293065  1
  P  P219  1  0.328339  0.685583  0.792970  1
  P  P220  1  0.661509  0.185618  0.293022  1
  P  P221  1  0.661613  0.185631  0.792994  1
  P  P222  1  0.661656  0.685641  0.293072  1
  P  P223  1  0.661635  0.685642  0.792973  1
  P  P224  1  0.995188  0.185574  0.292464  1
  P  P225  1  0.995203  0.185423  0.793662  1
  P  P226  1  0.994983  0.685702  0.293090  1
  P  P227  1  0.994982  0.685695  0.792990  1
  P  P228  1  0.245601  0.000708  0.418101  1
  P  P229  1  0.246165  0.000473  0.918752  1
  P  P230  1  0.245564  0.500607  0.418337  1
  P  P231  1  0.245552  0.500564  0.918202  1
  P  P232  1  0.578877  0.000671  0.418064  1
  P  P233  1  0.579264  0.000568  0.918122  1
  P  P234  1  0.578854  0.500613  0.418248  1
  P  P235  1  0.578897  0.500634  0.918228  1
  P  P236  1  0.912354  0.000707  0.418048  1
  P  P237  1  0.912511  0.000673  0.918555  1
  P  P238  1  0.912223  0.500701  0.418354  1
  P  P239  1  0.912185  0.500712  0.918167  1
  P  P240  1  0.079008  0.125165  0.416837  1
  P  P241  1  0.079285  0.124528  0.918790  1
  P  P242  1  0.079125  0.625197  0.416836  1
  P  P243  1  0.079121  0.625164  0.916708  1
  P  P244  1  0.412051  0.125160  0.416400  1
  P  P245  1  0.412586  0.125195  0.916779  1
  P  P246  1  0.412445  0.625098  0.416757  1
  P  P247  1  0.412454  0.625093  0.916756  1
  P  P248  1  0.745774  0.125118  0.416681  1
  P  P249  1  0.745896  0.125161  0.916789  1
  P  P250  1  0.745784  0.625161  0.416788  1
  P  P251  1  0.745768  0.625158  0.916748  1
  P  P252  1  0.162974  0.190498  0.040343  1
  P  P253  1  0.163783  0.190310  0.539989  1
  P  P254  1  0.163739  0.690404  0.039764  1
  P  P255  1  0.163721  0.690476  0.539778  1
  P  P256  1  0.497051  0.190395  0.039745  1
  P  P257  1  0.496799  0.190380  0.539757  1
  P  P258  1  0.497054  0.690405  0.039811  1
  P  P259  1  0.497034  0.690420  0.539712  1
  P  P260  1  0.829865  0.190679  0.039789  1
  P  P261  1  0.830426  0.190383  0.539838  1
  P  P262  1  0.830389  0.690444  0.039798  1
  P  P263  1  0.830385  0.690511  0.539774  1
  P  P264  1  0.079696  0.123647  0.172915  1
  P  P265  1  0.079200  0.123454  0.673654  1
  P  P266  1  0.079289  0.623548  0.173636  1
  P  P267  1  0.079318  0.623536  0.673648  1
  P  P268  1  0.411952  0.123441  0.173175  1
  P  P269  1  0.412420  0.123506  0.673893  1
  P  P270  1  0.412621  0.623473  0.173655  1
  P  P271  1  0.412650  0.623453  0.673580  1
  P  P272  1  0.746032  0.123523  0.173549  1
  P  P273  1  0.745940  0.123504  0.673604  1
  P  P274  1  0.745988  0.623513  0.173669  1
  P  P275  1  0.745959  0.623548  0.673578  1
  P  P276  1  0.245929  0.125893  0.422971  1
  P  P277  1  0.244551  0.123983  0.926032  1
  P  P278  1  0.245959  0.625906  0.423673  1
  P  P279  1  0.245969  0.625882  0.923588  1
  P  P280  1  0.579079  0.125896  0.423495  1
  P  P281  1  0.579427  0.125900  0.923581  1
  P  P282  1  0.579281  0.625907  0.423637  1
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  P  P479  1  0.746027  0.875916  0.923567  1
