# generated using pymatgen
data_Fe96P383
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.30601764
_cell_length_b   27.06771943
_cell_length_c   18.90517306
_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   10389.518258
_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  0.157533  0.184471  0.163542  1
  Fe  Fe2  1  0.159243  0.185737  0.663591  1
  Fe  Fe3  1  0.159561  0.685904  0.162630  1
  Fe  Fe4  1  0.159562  0.686044  0.662461  1
  Fe  Fe5  1  0.492827  0.185982  0.162685  1
  Fe  Fe6  1  0.492746  0.185892  0.662485  1
  Fe  Fe7  1  0.492887  0.685899  0.162583  1
  Fe  Fe8  1  0.492867  0.685964  0.662531  1
  Fe  Fe9  1  0.826168  0.186124  0.162300  1
  Fe  Fe10  1  0.826402  0.185835  0.662700  1
  Fe  Fe11  1  0.826205  0.685946  0.162617  1
  Fe  Fe12  1  0.826356  0.686047  0.662477  1
  Fe  Fe13  1  0.326003  0.063741  0.412336  1
  Fe  Fe14  1  0.326378  0.063766  0.912766  1
  Fe  Fe15  1  0.326143  0.563701  0.412647  1
  Fe  Fe16  1  0.326176  0.563736  0.912516  1
  Fe  Fe17  1  0.659803  0.063834  0.412599  1
  Fe  Fe18  1  0.659543  0.063739  0.912571  1
  Fe  Fe19  1  0.659535  0.563764  0.412650  1
  Fe  Fe20  1  0.659549  0.563774  0.912493  1
  Fe  Fe21  1  0.992971  0.063625  0.409833  1
  Fe  Fe22  1  0.992923  0.063967  0.915514  1
  Fe  Fe23  1  0.992921  0.563760  0.412619  1
  Fe  Fe24  1  0.992898  0.563794  0.912498  1
  Fe  Fe25  1  0.082413  0.127244  0.060883  1
  Fe  Fe26  1  0.083725  0.128687  0.549302  1
  Fe  Fe27  1  0.083753  0.628551  0.049341  1
  Fe  Fe28  1  0.083692  0.628628  0.549402  1
  Fe  Fe29  1  0.417081  0.128534  0.049413  1
  Fe  Fe30  1  0.416996  0.128429  0.549536  1
  Fe  Fe31  1  0.417062  0.628522  0.049319  1
  Fe  Fe32  1  0.416976  0.628533  0.549423  1
  Fe  Fe33  1  0.750169  0.128533  0.049568  1
  Fe  Fe34  1  0.750835  0.128578  0.549162  1
  Fe  Fe35  1  0.750410  0.628568  0.049312  1
  Fe  Fe36  1  0.750429  0.628575  0.549441  1
  Fe  Fe37  1  0.252501  0.121647  0.300282  1
  Fe  Fe38  1  0.250461  0.121167  0.799735  1
  Fe  Fe39  1  0.250356  0.621111  0.299454  1
  Fe  Fe40  1  0.250341  0.621134  0.799305  1
  Fe  Fe41  1  0.583748  0.121189  0.299547  1
  Fe  Fe42  1  0.583814  0.121150  0.799293  1
  Fe  Fe43  1  0.583727  0.621139  0.299400  1
  Fe  Fe44  1  0.583727  0.621163  0.799336  1
  Fe  Fe45  1  0.915007  0.121279  0.300760  1
  Fe  Fe46  1  0.917646  0.121084  0.800434  1
  Fe  Fe47  1  0.917082  0.621183  0.299449  1
  Fe  Fe48  1  0.917097  0.621190  0.799292  1
  Fe  Fe49  1  0.326125  0.435870  0.162698  1
  Fe  Fe50  1  0.326043  0.435788  0.662519  1
  Fe  Fe51  1  0.326643  0.935714  0.162460  1
  Fe  Fe52  1  0.326050  0.936098  0.662553  1
  Fe  Fe53  1  0.659423  0.436007  0.162614  1
  Fe  Fe54  1  0.659601  0.435857  0.662529  1
  Fe  Fe55  1  0.659518  0.935841  0.162684  1
  Fe  Fe56  1  0.659727  0.936105  0.662487  1
  Fe  Fe57  1  0.992886  0.436038  0.162573  1
  Fe  Fe58  1  0.992915  0.435783  0.662562  1
  Fe  Fe59  1  0.993091  0.935921  0.162407  1
  Fe  Fe60  1  0.993039  0.936227  0.662608  1
  Fe  Fe61  1  0.159238  0.313351  0.412328  1
  Fe  Fe62  1  0.159477  0.313743  0.912845  1
  Fe  Fe63  1  0.159586  0.814046  0.412395  1
  Fe  Fe64  1  0.159563  0.813826  0.912566  1
  Fe  Fe65  1  0.492789  0.313731  0.412648  1
  Fe  Fe66  1  0.492836  0.313743  0.912532  1
  Fe  Fe67  1  0.492917  0.813756  0.412709  1
  Fe  Fe68  1  0.492938  0.813751  0.912405  1
  Fe  Fe69  1  0.826505  0.313559  0.412490  1
  Fe  Fe70  1  0.826293  0.313656  0.912548  1
  Fe  Fe71  1  0.826377  0.813881  0.412562  1
  Fe  Fe72  1  0.826288  0.813832  0.912581  1
  Fe  Fe73  1  0.250334  0.378555  0.049462  1
  Fe  Fe74  1  0.250107  0.378388  0.549399  1
  Fe  Fe75  1  0.250589  0.878369  0.049353  1
  Fe  Fe76  1  0.250268  0.878838  0.549255  1
  Fe  Fe77  1  0.583611  0.378599  0.049334  1
  Fe  Fe78  1  0.583704  0.378435  0.549457  1
  Fe  Fe79  1  0.583786  0.878512  0.049274  1
  Fe  Fe80  1  0.583795  0.878631  0.549478  1
  Fe  Fe81  1  0.917010  0.378556  0.049508  1
  Fe  Fe82  1  0.917153  0.378481  0.549355  1
  Fe  Fe83  1  0.917030  0.878452  0.049562  1
  Fe  Fe84  1  0.917404  0.878976  0.549141  1
  Fe  Fe85  1  0.083636  0.370893  0.299299  1
  Fe  Fe86  1  0.083658  0.370993  0.799454  1
  Fe  Fe87  1  0.083691  0.871645  0.299165  1
  Fe  Fe88  1  0.083711  0.871358  0.799429  1
  Fe  Fe89  1  0.416986  0.371126  0.299439  1
  Fe  Fe90  1  0.416945  0.371071  0.799319  1
  Fe  Fe91  1  0.417237  0.871037  0.299424  1
  Fe  Fe92  1  0.417036  0.871219  0.799257  1
  Fe  Fe93  1  0.750228  0.371275  0.299535  1
  Fe  Fe94  1  0.750401  0.371115  0.799323  1
  Fe  Fe95  1  0.750263  0.871053  0.299463  1
  Fe  Fe96  1  0.750614  0.871288  0.799281  1
  P  P97  1  0.331381  0.186754  0.044605  1
  P  P98  1  0.330923  0.186544  0.544359  1
  P  P99  1  0.331286  0.686713  0.044599  1
  P  P100  1  0.331249  0.686794  0.544670  1
  P  P101  1  0.664425  0.186789  0.044670  1
  P  P102  1  0.664911  0.186717  0.544647  1
  P  P103  1  0.664641  0.686768  0.044562  1
  P  P104  1  0.664641  0.686777  0.544714  1
  P  P105  1  0.998135  0.186108  0.047269  1
  P  P106  1  0.997970  0.186909  0.544889  1
  P  P107  1  0.997982  0.686768  0.044622  1
  P  P108  1  0.997988  0.686910  0.544612  1
  P  P109  1  0.163822  0.064680  0.290188  1
  P  P110  1  0.164091  0.063298  0.795863  1
  P  P111  1  0.164590  0.562906  0.294760  1
  P  P112  1  0.164595  0.562908  0.794552  1
  P  P113  1  0.498010  0.062932  0.294821  1
  P  P114  1  0.497954  0.062960  0.794518  1
  P  P115  1  0.497937  0.562926  0.294703  1
  P  P116  1  0.497927  0.562911  0.794579  1
  P  P117  1  0.831434  0.062919  0.294171  1
  P  P118  1  0.831778  0.062945  0.795282  1
  P  P119  1  0.831265  0.562985  0.294754  1
  P  P120  1  0.831321  0.562956  0.794544  1
  P  P121  1  0.331130  0.062465  0.044544  1
  P  P122  1  0.330572  0.062594  0.543961  1
  P  P123  1  0.330999  0.562470  0.044259  1
  P  P124  1  0.330988  0.562431  0.544333  1
  P  P125  1  0.664237  0.062502  0.044336  1
  P  P126  1  0.664745  0.062556  0.544271  1
  P  P127  1  0.664365  0.562512  0.044221  1
  P  P128  1  0.664371  0.562502  0.544365  1
  P  P129  1  0.998041  0.062754  0.047848  1
  P  P130  1  0.997776  0.062679  0.543074  1
  P  P131  1  0.997691  0.562544  0.044246  1
  P  P132  1  0.997726  0.562487  0.544315  1
  P  P133  1  0.330546  0.059038  0.289381  1
  P  P134  1  0.330228  0.059089  0.789949  1
  P  P135  1  0.330439  0.559088  0.289759  1
  P  P136  1  0.330389  0.559072  0.789580  1
  P  P137  1  0.663761  0.059127  0.289775  1
  P  P138  1  0.664026  0.059165  0.789655  1
  P  P139  1  0.663787  0.559143  0.289739  1
  P  P140  1  0.663795  0.559133  0.789592  1
  P  P141  1  -0.000290  0.061703  0.284859  1
  P  P142  1  0.997535  0.059411  0.791390  1
  P  P143  1  0.997103  0.559134  0.289767  1
  P  P144  1  0.997131  0.559119  0.789575  1
  P  P145  1  0.161171  0.064188  0.045286  1
  P  P146  1  0.161605  0.063918  0.542860  1
  P  P147  1  0.161720  0.563917  0.042889  1
  P  P148  1  0.161673  0.563904  0.542885  1
  P  P149  1  0.495125  0.063924  0.042877  1
  P  P150  1  0.494984  0.063892  0.543002  1
  P  P151  1  0.495029  0.563905  0.042853  1
  P  P152  1  0.495020  0.563891  0.542968  1
  P  P153  1  0.828265  0.063868  0.043477  1
  P  P154  1  0.828986  0.064111  0.542344  1
  P  P155  1  0.828403  0.563964  0.042848  1
  P  P156  1  0.828401  0.563921  0.542954  1
  P  P157  1  0.079992  0.002570  0.415450  1
  P  P158  1  0.079638  0.001781  0.918950  1
  P  P159  1  0.079668  0.501638  0.417647  1
  P  P160  1  0.079686  0.501737  0.917580  1
  P  P161  1  0.412855  0.001793  0.417566  1
  P  P162  1  0.413074  0.001725  0.917636  1
  P  P163  1  0.412983  0.501673  0.417716  1
  P  P164  1  0.412968  0.501684  0.917552  1
  P  P165  1  0.746667  0.001818  0.417487  1
  P  P166  1  0.746475  0.001765  0.917827  1
  P  P167  1  0.746337  0.501717  0.417733  1
  P  P168  1  0.746361  0.501741  0.917527  1
  P  P169  1  0.079685  0.498028  0.167680  1
  P  P170  1  0.079674  0.497853  0.667582  1
  P  P171  1  0.080240  0.997630  0.167395  1
  P  P172  1  0.079537  0.998365  0.667870  1
  P  P173  1  0.412965  0.497944  0.167672  1
  P  P174  1  0.412928  0.497858  0.667588  1
  P  P175  1  0.413398  0.997874  0.167600  1
  P  P176  1  0.412795  0.998099  0.667514  1
  P  P177  1  0.746316  0.498013  0.167647  1
  P  P178  1  0.746389  0.497930  0.667603  1
  P  P179  1  0.746120  0.997964  0.167690  1
  P  P180  1  0.746808  0.998073  0.667578  1
  P  P181  1  0.162902  0.185940  0.291869  1
  P  P182  1  0.163799  0.186794  0.795453  1
  P  P183  1  0.164400  0.687228  0.294380  1
  P  P184  1  0.164372  0.687268  0.794166  1
  P  P185  1  0.497687  0.187211  0.294463  1
  P  P186  1  0.497640  0.187159  0.794180  1
  P  P187  1  0.497699  0.687174  0.294346  1
  P  P188  1  0.497689  0.687202  0.794215  1
  P  P189  1  0.831047  0.187617  0.294005  1
  P  P190  1  0.831398  0.187054  0.794653  1
  P  P191  1  0.831021  0.687200  0.294373  1
  P  P192  1  0.831101  0.687288  0.794182  1
  P  P193  1  0.246299  0.124744  0.166863  1
  P  P194  1  0.245551  0.124307  0.667057  1
  P  P195  1  0.245860  0.624372  0.166705  1
  P  P196  1  0.245835  0.624448  0.666560  1
  P  P197  1  0.579160  0.124430  0.166777  1
  P  P198  1  0.579260  0.124432  0.666579  1
  P  P199  1  0.579212  0.624415  0.166639  1
  P  P200  1  0.579198  0.624416  0.666627  1
  P  P201  1  0.911964  0.124617  0.166835  1
  P  P202  1  0.912864  0.124337  0.667135  1
  P  P203  1  0.912545  0.624451  0.166695  1
  P  P204  1  0.912599  0.624480  0.666565  1
  P  P205  1  0.245621  0.498877  0.168204  1
  P  P206  1  0.245561  0.498810  0.668019  1
  P  P207  1  0.246402  0.998672  0.167864  1
  P  P208  1  0.245359  0.999074  0.668410  1
  P  P209  1  0.578932  0.498956  0.168113  1
  P  P210  1  0.578975  0.498891  0.668092  1
  P  P211  1  0.579016  0.998900  0.168148  1
  P  P212  1  0.579137  0.999012  0.668058  1
  P  P213  1  0.912296  0.499032  0.168158  1
  P  P214  1  0.912369  0.498840  0.668053  1
  P  P215  1  0.911900  0.998618  0.168706  1
  P  P216  1  0.912794  0.999318  0.668194  1
  P  P217  1  0.328493  0.185977  0.293023  1
  P  P218  1  0.328076  0.185750  0.793278  1
  P  P219  1  0.328403  0.685740  0.292998  1
  P  P220  1  0.328352  0.685783  0.792775  1
  P  P221  1  0.661624  0.185875  0.293067  1
  P  P222  1  0.661871  0.185734  0.792841  1
  P  P223  1  0.661724  0.685783  0.292979  1
  P  P224  1  0.661755  0.685807  0.792822  1
  P  P225  1  0.996485  0.184515  0.288568  1
  P  P226  1  0.995615  0.185346  0.794230  1
  P  P227  1  0.995059  0.685850  0.293005  1
  P  P228  1  0.995085  0.685869  0.792777  1
  P  P229  1  0.245001  0.001263  0.416683  1
  P  P230  1  0.245499  0.000920  0.918846  1
  P  P231  1  0.245608  0.500651  0.418153  1
  P  P232  1  0.245622  0.500722  0.918045  1
  P  P233  1  0.579083  0.000812  0.418284  1
  P  P234  1  0.579049  0.000769  0.917962  1
  P  P235  1  0.578951  0.500776  0.418195  1
  P  P236  1  0.578974  0.500757  0.918010  1
  P  P237  1  0.913125  0.001192  0.416442  1
  P  P238  1  0.912607  0.000960  0.919336  1
  P  P239  1  0.912339  0.500745  0.418179  1
  P  P240  1  0.912338  0.500785  0.918006  1
  P  P241  1  0.078984  0.125453  0.416557  1
  P  P242  1  0.078692  0.125271  0.921539  1
  P  P243  1  0.079199  0.625335  0.416693  1
  P  P244  1  0.079218  0.625309  0.916553  1
  P  P245  1  0.412610  0.125237  0.416843  1
  P  P246  1  0.412602  0.125269  0.916678  1
  P  P247  1  0.412516  0.625238  0.416718  1
  P  P248  1  0.412504  0.625252  0.916554  1
  P  P249  1  0.746254  0.125339  0.416364  1
  P  P250  1  0.745855  0.125277  0.916865  1
  P  P251  1  0.745859  0.625302  0.416736  1
  P  P252  1  0.745895  0.625305  0.916548  1
  P  P253  1  0.163250  0.190193  0.040770  1
  P  P254  1  0.163633  0.190492  0.539963  1
  P  P255  1  0.163806  0.690546  0.039661  1
  P  P256  1  0.163748  0.690720  0.539604  1
  P  P257  1  0.497128  0.190574  0.039710  1
  P  P258  1  0.497034  0.190541  0.539714  1
  P  P259  1  0.497119  0.690558  0.039610  1
  P  P260  1  0.497116  0.690555  0.539718  1
  P  P261  1  0.830171  0.190727  0.039882  1
  P  P262  1  0.830942  0.190512  0.539558  1
  P  P263  1  0.830490  0.690584  0.039649  1
  P  P264  1  0.830493  0.690682  0.539673  1
  P  P265  1  0.079145  0.123489  0.673381  1
  P  P266  1  0.079364  0.623643  0.173537  1
  P  P267  1  0.079394  0.623691  0.673430  1
  P  P268  1  0.412880  0.123630  0.173564  1
  P  P269  1  0.412392  0.123635  0.673519  1
  P  P270  1  0.412697  0.623601  0.173477  1
  P  P271  1  0.412685  0.623612  0.673470  1
  P  P272  1  0.745763  0.123788  0.173665  1
  P  P273  1  0.746430  0.123544  0.673472  1
  P  P274  1  0.746036  0.623641  0.173466  1
  P  P275  1  0.746098  0.623693  0.673477  1
  P  P276  1  0.245236  0.125926  0.422799  1
  P  P277  1  0.245997  0.125872  0.924195  1
  P  P278  1  0.246034  0.626064  0.423572  1
  P  P279  1  0.246016  0.626051  0.923384  1
  P  P280  1  0.579519  0.126063  0.423659  1
  P  P281  1  0.579379  0.126066  0.923374  1
  P  P282  1  0.579358  0.626058  0.423552  1
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  P  P340  1  0.661551  0.313957  0.042845  1
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  P  P348  1  0.245703  0.251058  0.416756  1
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  P  P359  1  0.913083  0.751794  0.917550  1
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  P  P362  1  0.246406  0.747908  0.167674  1
  P  P363  1  0.246313  0.748131  0.667511  1
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  P  P365  1  0.579685  0.247915  0.667582  1
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  P  P371  1  0.913140  0.748167  0.667519  1
  P  P372  1  0.330939  0.437134  0.294397  1
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  P  P457  1  0.245854  0.373373  0.673448  1
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  P  P462  1  0.579421  0.873577  0.173472  1
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  P  P478  1  0.746101  0.876102  0.423602  1
  P  P479  1  0.746092  0.876096  0.923434  1
