# generated using pymatgen
data_Fe96P383
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.30748134
_cell_length_b   27.06864568
_cell_length_c   18.90618193
_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   10391.1772045
_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  0.157049  0.185915  0.164526  1
  Fe  Fe2  1  0.159547  0.185994  0.663096  1
  Fe  Fe3  1  0.159536  0.685989  0.162586  1
  Fe  Fe4  1  0.159552  0.685987  0.662547  1
  Fe  Fe5  1  0.495042  0.185281  0.163629  1
  Fe  Fe6  1  0.492785  0.185890  0.662886  1
  Fe  Fe7  1  0.492805  0.685888  0.162627  1
  Fe  Fe8  1  0.492826  0.685889  0.662511  1
  Fe  Fe9  1  0.826112  0.185963  0.162559  1
  Fe  Fe10  1  0.826147  0.185949  0.662609  1
  Fe  Fe11  1  0.826184  0.685930  0.162602  1
  Fe  Fe12  1  0.826166  0.685932  0.662542  1
  Fe  Fe13  1  0.326062  0.063843  0.412546  1
  Fe  Fe14  1  0.326486  0.062315  0.910677  1
  Fe  Fe15  1  0.326138  0.563696  0.412495  1
  Fe  Fe16  1  0.326108  0.563765  0.912610  1
  Fe  Fe17  1  0.659409  0.063775  0.412426  1
  Fe  Fe18  1  0.659706  0.063673  0.912598  1
  Fe  Fe19  1  0.659388  0.563683  0.412589  1
  Fe  Fe20  1  0.659405  0.563704  0.912563  1
  Fe  Fe21  1  0.992901  0.063786  0.412732  1
  Fe  Fe22  1  0.993321  0.063975  0.912653  1
  Fe  Fe23  1  0.992786  0.563791  0.412602  1
  Fe  Fe24  1  0.992747  0.563809  0.912567  1
  Fe  Fe25  1  0.083843  0.129041  0.049434  1
  Fe  Fe26  1  0.083865  0.128606  0.549610  1
  Fe  Fe27  1  0.083661  0.628585  0.049394  1
  Fe  Fe28  1  0.083685  0.628585  0.549375  1
  Fe  Fe29  1  0.420110  0.126205  0.049580  1
  Fe  Fe30  1  0.417087  0.128545  0.549485  1
  Fe  Fe31  1  0.416967  0.628532  0.049412  1
  Fe  Fe32  1  0.416964  0.628524  0.549334  1
  Fe  Fe33  1  0.750433  0.128614  0.049402  1
  Fe  Fe34  1  0.750408  0.128538  0.549379  1
  Fe  Fe35  1  0.750330  0.628523  0.049369  1
  Fe  Fe36  1  0.750274  0.628494  0.549407  1
  Fe  Fe37  1  0.250529  0.121260  0.298200  1
  Fe  Fe38  1  0.250371  0.121328  0.801058  1
  Fe  Fe39  1  0.250317  0.621143  0.299397  1
  Fe  Fe40  1  0.250338  0.621177  0.799341  1
  Fe  Fe41  1  0.583630  0.121273  0.299185  1
  Fe  Fe42  1  0.583736  0.121099  0.799555  1
  Fe  Fe43  1  0.583612  0.621088  0.299389  1
  Fe  Fe44  1  0.583627  0.621061  0.799343  1
  Fe  Fe45  1  0.917120  0.121156  0.299433  1
  Fe  Fe46  1  0.917350  0.121273  0.799563  1
  Fe  Fe47  1  0.916985  0.621165  0.299408  1
  Fe  Fe48  1  0.916994  0.621164  0.799342  1
  Fe  Fe49  1  0.326089  0.435702  0.162487  1
  Fe  Fe50  1  0.326049  0.435915  0.662584  1
  Fe  Fe51  1  0.326328  0.936219  0.162327  1
  Fe  Fe52  1  0.326287  0.935980  0.662707  1
  Fe  Fe53  1  0.659383  0.435910  0.162591  1
  Fe  Fe54  1  0.659271  0.435830  0.662573  1
  Fe  Fe55  1  0.659819  0.935743  0.162679  1
  Fe  Fe56  1  0.659625  0.935936  0.662434  1
  Fe  Fe57  1  0.992593  0.436051  0.162651  1
  Fe  Fe58  1  0.992697  0.435959  0.662548  1
  Fe  Fe59  1  0.992949  0.935949  0.162624  1
  Fe  Fe60  1  0.993039  0.936055  0.662598  1
  Fe  Fe61  1  0.159353  0.313754  0.412596  1
  Fe  Fe62  1  0.159393  0.313915  0.912734  1
  Fe  Fe63  1  0.159644  0.813902  0.412527  1
  Fe  Fe64  1  0.159610  0.813816  0.912613  1
  Fe  Fe65  1  0.492699  0.313651  0.412124  1
  Fe  Fe66  1  0.492238  0.313394  0.912787  1
  Fe  Fe67  1  0.492856  0.813795  0.412519  1
  Fe  Fe68  1  0.492917  0.813675  0.912622  1
  Fe  Fe69  1  0.825968  0.313716  0.412573  1
  Fe  Fe70  1  0.825946  0.313761  0.912627  1
  Fe  Fe71  1  0.826270  0.813762  0.412637  1
  Fe  Fe72  1  0.826252  0.813749  0.912544  1
  Fe  Fe73  1  0.250131  0.378465  0.049279  1
  Fe  Fe74  1  0.250246  0.378505  0.549287  1
  Fe  Fe75  1  0.250484  0.878703  0.049429  1
  Fe  Fe76  1  0.250462  0.878713  0.549360  1
  Fe  Fe77  1  0.583550  0.378470  0.049527  1
  Fe  Fe78  1  0.583523  0.378476  0.549200  1
  Fe  Fe79  1  0.583946  0.878313  0.049403  1
  Fe  Fe80  1  0.583731  0.878557  0.549325  1
  Fe  Fe81  1  0.916769  0.378658  0.049401  1
  Fe  Fe82  1  0.916864  0.378519  0.549437  1
  Fe  Fe83  1  0.917098  0.878560  0.049403  1
  Fe  Fe84  1  0.917164  0.878617  0.549436  1
  Fe  Fe85  1  0.083568  0.371085  0.299475  1
  Fe  Fe86  1  0.083526  0.371218  0.799398  1
  Fe  Fe87  1  0.083846  0.871277  0.299331  1
  Fe  Fe88  1  0.083835  0.871248  0.799442  1
  Fe  Fe89  1  0.416772  0.371016  0.299222  1
  Fe  Fe90  1  0.416747  0.370978  0.799579  1
  Fe  Fe91  1  0.417008  0.871232  0.299373  1
  Fe  Fe92  1  0.417136  0.871110  0.799390  1
  Fe  Fe93  1  0.750111  0.371101  0.299393  1
  Fe  Fe94  1  0.750106  0.371079  0.799387  1
  Fe  Fe95  1  0.750510  0.871102  0.299447  1
  Fe  Fe96  1  0.750522  0.871086  0.799295  1
  P  P97  1  0.331179  0.186668  0.544901  1
  P  P98  1  0.331242  0.686770  0.044715  1
  P  P99  1  0.331236  0.686775  0.544587  1
  P  P100  1  0.664256  0.186602  0.044748  1
  P  P101  1  0.664509  0.186724  0.544618  1
  P  P102  1  0.664577  0.686706  0.044646  1
  P  P103  1  0.664540  0.686706  0.544643  1
  P  P104  1  0.997846  0.186871  0.044578  1
  P  P105  1  0.998001  0.186764  0.544833  1
  P  P106  1  0.997901  0.686790  0.044653  1
  P  P107  1  0.997937  0.686811  0.544642  1
  P  P108  1  0.164927  0.063203  0.294103  1
  P  P109  1  0.164956  0.063377  0.795593  1
  P  P110  1  0.164508  0.562960  0.294668  1
  P  P111  1  0.164530  0.563004  0.794606  1
  P  P112  1  0.497802  0.063190  0.293929  1
  P  P113  1  0.498025  0.062895  0.794873  1
  P  P114  1  0.497839  0.562841  0.294634  1
  P  P115  1  0.497822  0.562846  0.794653  1
  P  P116  1  0.831420  0.062905  0.294782  1
  P  P117  1  0.831497  0.062984  0.794680  1
  P  P118  1  0.831177  0.562940  0.294700  1
  P  P119  1  0.831176  0.562932  0.794610  1
  P  P120  1  0.331692  0.063231  0.043653  1
  P  P121  1  0.330980  0.062545  0.544470  1
  P  P122  1  0.330927  0.562489  0.044353  1
  P  P123  1  0.330946  0.562452  0.544210  1
  P  P124  1  0.664995  0.062248  0.044245  1
  P  P125  1  0.664327  0.062533  0.544217  1
  P  P126  1  0.664264  0.562467  0.044283  1
  P  P127  1  0.664221  0.562415  0.544284  1
  P  P128  1  0.997951  0.062650  0.044277  1
  P  P129  1  0.997880  0.062553  0.544455  1
  P  P130  1  0.997590  0.562552  0.044291  1
  P  P131  1  0.997612  0.562538  0.544299  1
  P  P132  1  0.330642  0.059527  0.289154  1
  P  P133  1  0.330705  0.059230  0.789610  1
  P  P134  1  0.330325  0.559038  0.289633  1
  P  P135  1  0.330353  0.559116  0.789674  1
  P  P136  1  0.663899  0.059072  0.289758  1
  P  P137  1  0.663937  0.059109  0.789698  1
  P  P138  1  0.663700  0.559097  0.289699  1
  P  P139  1  0.663649  0.559037  0.789643  1
  P  P140  1  0.997216  0.059127  0.289797  1
  P  P141  1  0.997337  0.059211  0.789854  1
  P  P142  1  0.997017  0.559158  0.289723  1
  P  P143  1  0.997036  0.559162  0.789637  1
  P  P144  1  0.161734  0.064127  0.042719  1
  P  P145  1  0.161928  0.064028  0.543159  1
  P  P146  1  0.161625  0.563965  0.042946  1
  P  P147  1  0.161646  0.563951  0.542873  1
  P  P148  1  0.496512  0.063058  0.042915  1
  P  P149  1  0.495076  0.063900  0.542972  1
  P  P150  1  0.494923  0.563846  0.042954  1
  P  P151  1  0.494910  0.563822  0.542817  1
  P  P152  1  0.828685  0.063950  0.042882  1
  P  P153  1  0.828471  0.063978  0.542955  1
  P  P154  1  0.828295  0.563925  0.042894  1
  P  P155  1  0.828263  0.563886  0.542932  1
  P  P156  1  0.079924  0.001864  0.417580  1
  P  P157  1  0.079688  0.001656  0.917674  1
  P  P158  1  0.079576  0.501753  0.417667  1
  P  P159  1  0.079546  0.501789  0.917619  1
  P  P160  1  0.412995  0.001893  0.417431  1
  P  P161  1  0.413610  0.001510  0.917723  1
  P  P162  1  0.412866  0.501565  0.417470  1
  P  P163  1  0.412865  0.501663  0.917676  1
  P  P164  1  0.746411  0.001760  0.417718  1
  P  P165  1  0.746638  0.001631  0.917515  1
  P  P166  1  0.746215  0.501672  0.417660  1
  P  P167  1  0.746206  0.501696  0.917609  1
  P  P168  1  0.079517  0.498049  0.167666  1
  P  P169  1  0.079554  0.498004  0.667561  1
  P  P170  1  0.079798  0.997947  0.167592  1
  P  P171  1  0.079921  0.998110  0.667926  1
  P  P172  1  0.412858  0.497764  0.167662  1
  P  P173  1  0.412893  0.497905  0.667606  1
  P  P174  1  0.413191  0.998246  0.167133  1
  P  P175  1  0.413147  0.997938  0.667714  1
  P  P176  1  0.746203  0.497958  0.167637  1
  P  P177  1  0.746125  0.497878  0.667602  1
  P  P178  1  0.746582  0.997867  0.167780  1
  P  P179  1  0.746445  0.998004  0.667561  1
  P  P180  1  0.164372  0.187282  0.294749  1
  P  P181  1  0.164784  0.187362  0.794985  1
  P  P182  1  0.164329  0.687254  0.294305  1
  P  P183  1  0.164349  0.687257  0.794275  1
  P  P184  1  0.497194  0.187072  0.294073  1
  P  P185  1  0.497539  0.187078  0.794657  1
  P  P186  1  0.497640  0.687157  0.294327  1
  P  P187  1  0.497628  0.687122  0.794241  1
  P  P188  1  0.831006  0.187178  0.294326  1
  P  P189  1  0.831050  0.187192  0.794351  1
  P  P190  1  0.830969  0.687188  0.294343  1
  P  P191  1  0.830969  0.687192  0.794250  1
  P  P192  1  0.246343  0.125464  0.165375  1
  P  P193  1  0.245846  0.124473  0.667388  1
  P  P194  1  0.245791  0.624429  0.166680  1
  P  P195  1  0.245831  0.624448  0.666593  1
  P  P196  1  0.579960  0.124025  0.166572  1
  P  P197  1  0.579202  0.124401  0.666804  1
  P  P198  1  0.579137  0.624363  0.166672  1
  P  P199  1  0.579089  0.624326  0.666598  1
  P  P200  1  0.912612  0.124489  0.166688  1
  P  P201  1  0.912613  0.124485  0.666785  1
  P  P202  1  0.912471  0.624435  0.166672  1
  P  P203  1  0.912477  0.624427  0.666619  1
  P  P204  1  0.245511  0.498857  0.168132  1
  P  P205  1  0.245552  0.498940  0.668048  1
  P  P206  1  0.245950  0.999462  0.167583  1
  P  P207  1  0.245759  0.999023  0.668543  1
  P  P208  1  0.578850  0.498903  0.168125  1
  P  P209  1  0.578763  0.498803  0.668074  1
  P  P210  1  0.579321  0.998637  0.168314  1
  P  P211  1  0.579074  0.998924  0.668151  1
  P  P212  1  0.912140  0.498980  0.168165  1
  P  P213  1  0.912146  0.498940  0.668078  1
  P  P214  1  0.912473  0.998993  0.168117  1
  P  P215  1  0.912483  0.999003  0.668146  1
  P  P216  1  0.328337  0.185861  0.293321  1
  P  P217  1  0.328637  0.185791  0.792797  1
  P  P218  1  0.328330  0.685781  0.292895  1
  P  P219  1  0.328354  0.685777  0.792879  1
  P  P220  1  0.661473  0.185782  0.292681  1
  P  P221  1  0.661600  0.185755  0.793091  1
  P  P222  1  0.661671  0.685720  0.292974  1
  P  P223  1  0.661636  0.685707  0.792845  1
  P  P224  1  0.995143  0.185778  0.292935  1
  P  P225  1  0.995271  0.185852  0.793115  1
  P  P226  1  0.994988  0.685821  0.292950  1
  P  P227  1  0.995019  0.685810  0.792888  1
  P  P228  1  0.245738  0.000965  0.417829  1
  P  P229  1  0.245696  0.001035  0.918438  1
  P  P230  1  0.245556  0.500710  0.418049  1
  P  P231  1  0.245498  0.500846  0.918101  1
  P  P232  1  0.578857  0.000851  0.417858  1
  P  P233  1  0.579485  0.000481  0.917833  1
  P  P234  1  0.578817  0.500651  0.418015  1
  P  P235  1  0.578827  0.500680  0.918134  1
  P  P236  1  0.912467  0.000780  0.418246  1
  P  P237  1  0.912518  0.000847  0.918121  1
  P  P238  1  0.912189  0.500783  0.418149  1
  P  P239  1  0.912180  0.500799  0.918074  1
  P  P240  1  0.079251  0.125259  0.416789  1
  P  P241  1  0.079978  0.125432  0.916841  1
  P  P242  1  0.079125  0.625334  0.416652  1
  P  P243  1  0.079126  0.625321  0.916646  1
  P  P244  1  0.412473  0.125245  0.416779  1
  P  P245  1  0.412663  0.125085  0.917406  1
  P  P246  1  0.412448  0.625216  0.416594  1
  P  P247  1  0.412452  0.625237  0.916669  1
  P  P248  1  0.745789  0.125301  0.416614  1
  P  P249  1  0.745998  0.125243  0.916678  1
  P  P250  1  0.745762  0.625226  0.416689  1
  P  P251  1  0.745759  0.625242  0.916615  1
  P  P252  1  0.163968  0.190830  0.040139  1
  P  P253  1  0.163854  0.190533  0.539896  1
  P  P254  1  0.163745  0.690619  0.039705  1
  P  P255  1  0.163757  0.690648  0.539641  1
  P  P256  1  0.495555  0.189997  0.039755  1
  P  P257  1  0.497111  0.190519  0.539782  1
  P  P258  1  0.497090  0.690484  0.039722  1
  P  P259  1  0.497038  0.690536  0.539614  1
  P  P260  1  0.830348  0.190596  0.039658  1
  P  P261  1  0.830390  0.190587  0.539719  1
  P  P262  1  0.830395  0.690572  0.039679  1
  P  P263  1  0.830395  0.690546  0.539693  1
  P  P264  1  0.079277  0.123489  0.173550  1
  P  P265  1  0.079536  0.123700  0.673844  1
  P  P266  1  0.079293  0.623694  0.173514  1
  P  P267  1  0.079329  0.623697  0.673455  1
  P  P268  1  0.412358  0.124011  0.171934  1
  P  P269  1  0.412816  0.123562  0.673553  1
  P  P270  1  0.412639  0.623565  0.173531  1
  P  P271  1  0.412627  0.623584  0.673422  1
  P  P272  1  0.746312  0.123540  0.173537  1
  P  P273  1  0.746022  0.123645  0.673512  1
  P  P274  1  0.745978  0.623615  0.173489  1
  P  P275  1  0.745950  0.623589  0.673467  1
  P  P276  1  0.246071  0.126067  0.423273  1
  P  P277  1  0.248841  0.127615  0.925926  1
  P  P278  1  0.245975  0.626069  0.423464  1
  P  P279  1  0.245974  0.626108  0.923491  1
  P  P280  1  0.579219  0.126045  0.423293  1
  P  P281  1  0.579506  0.125931  0.923694  1
  P  P282  1  0.579268  0.625996  0.423488  1
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  P  P364  1  0.579418  0.247899  0.167207  1
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  P  P368  1  0.912812  0.248007  0.167685  1
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  P  P383  1  0.997755  0.937230  0.794312  1
  P  P384  1  0.078864  0.374552  0.166794  1
  P  P385  1  0.079002  0.374444  0.666665  1
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  P  P391  1  0.412564  0.874415  0.666633  1
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  P  P393  1  0.745553  0.374320  0.666661  1
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  P  P395  1  0.745940  0.874417  0.666546  1
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  P  P455  1  0.997319  0.940658  0.539758  1
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  P  P457  1  0.245846  0.373669  0.673530  1
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  P  P462  1  0.579522  0.873476  0.173582  1
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  P  P478  1  0.746122  0.876056  0.423585  1
  P  P479  1  0.746095  0.876024  0.923424  1
