# generated using pymatgen
data_Fe96P383
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.30849818
_cell_length_b   27.07078436
_cell_length_c   18.89645630
_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   10387.172486
_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  0.160147  0.185489  0.163507  1
  Fe  Fe2  1  0.159746  0.185661  0.662691  1
  Fe  Fe3  1  0.159519  0.685931  0.162740  1
  Fe  Fe4  1  0.159589  0.686037  0.662820  1
  Fe  Fe5  1  0.491484  0.184953  0.164391  1
  Fe  Fe6  1  0.492577  0.185658  0.662448  1
  Fe  Fe7  1  0.492822  0.685857  0.162745  1
  Fe  Fe8  1  0.492782  0.686024  0.662836  1
  Fe  Fe9  1  0.826097  0.185867  0.162800  1
  Fe  Fe10  1  0.826101  0.185831  0.663000  1
  Fe  Fe11  1  0.826141  0.685892  0.162777  1
  Fe  Fe12  1  0.826169  0.685927  0.662877  1
  Fe  Fe13  1  0.327513  0.063359  0.401983  1
  Fe  Fe14  1  0.326063  0.063655  0.913097  1
  Fe  Fe15  1  0.326151  0.563788  0.412900  1
  Fe  Fe16  1  0.326183  0.563744  0.912792  1
  Fe  Fe17  1  0.659597  0.063637  0.412830  1
  Fe  Fe18  1  0.659243  0.063700  0.912946  1
  Fe  Fe19  1  0.659491  0.563697  0.412909  1
  Fe  Fe20  1  0.659461  0.563692  0.912806  1
  Fe  Fe21  1  0.992868  0.063678  0.412816  1
  Fe  Fe22  1  0.992864  0.063649  0.912935  1
  Fe  Fe23  1  0.992808  0.563700  0.412897  1
  Fe  Fe24  1  0.992893  0.563729  0.912815  1
  Fe  Fe25  1  0.084396  0.128181  0.050171  1
  Fe  Fe26  1  0.083594  0.128471  0.549575  1
  Fe  Fe27  1  0.083678  0.628507  0.049603  1
  Fe  Fe28  1  0.083669  0.628548  0.549749  1
  Fe  Fe29  1  0.416299  0.127999  0.052691  1
  Fe  Fe30  1  0.416665  0.128447  0.547782  1
  Fe  Fe31  1  0.416971  0.628506  0.049591  1
  Fe  Fe32  1  0.416949  0.628595  0.549726  1
  Fe  Fe33  1  0.750213  0.128363  0.049720  1
  Fe  Fe34  1  0.750301  0.128461  0.549765  1
  Fe  Fe35  1  0.750293  0.628488  0.049623  1
  Fe  Fe36  1  0.750297  0.628488  0.549756  1
  Fe  Fe37  1  0.252146  0.119609  0.298881  1
  Fe  Fe38  1  0.250609  0.120980  0.799013  1
  Fe  Fe39  1  0.250337  0.621146  0.299645  1
  Fe  Fe40  1  0.250292  0.621197  0.799710  1
  Fe  Fe41  1  0.583563  0.121146  0.300037  1
  Fe  Fe42  1  0.583542  0.121036  0.799583  1
  Fe  Fe43  1  0.583686  0.621090  0.299658  1
  Fe  Fe44  1  0.583555  0.621151  0.799725  1
  Fe  Fe45  1  0.917058  0.121094  0.299644  1
  Fe  Fe46  1  0.917098  0.121077  0.799834  1
  Fe  Fe47  1  0.916980  0.621082  0.299675  1
  Fe  Fe48  1  0.917002  0.621160  0.799715  1
  Fe  Fe49  1  0.326162  0.435844  0.162833  1
  Fe  Fe50  1  0.326151  0.435880  0.662946  1
  Fe  Fe51  1  0.326664  0.934636  0.161734  1
  Fe  Fe52  1  0.326368  0.936143  0.661860  1
  Fe  Fe53  1  0.659459  0.435842  0.162800  1
  Fe  Fe54  1  0.659425  0.435831  0.662975  1
  Fe  Fe55  1  0.659476  0.935925  0.162942  1
  Fe  Fe56  1  0.659188  0.936025  0.662713  1
  Fe  Fe57  1  0.992856  0.435836  0.162842  1
  Fe  Fe58  1  0.992836  0.435850  0.662912  1
  Fe  Fe59  1  0.993093  0.936009  0.162776  1
  Fe  Fe60  1  0.992922  0.935940  0.662917  1
  Fe  Fe61  1  0.159373  0.313839  0.412959  1
  Fe  Fe62  1  0.159648  0.313510  0.912870  1
  Fe  Fe63  1  0.159607  0.813808  0.412660  1
  Fe  Fe64  1  0.159682  0.813927  0.912880  1
  Fe  Fe65  1  0.492810  0.313825  0.412856  1
  Fe  Fe66  1  0.492707  0.313463  0.913098  1
  Fe  Fe67  1  0.492839  0.813748  0.412597  1
  Fe  Fe68  1  0.492667  0.813895  0.912791  1
  Fe  Fe69  1  0.826150  0.313692  0.412898  1
  Fe  Fe70  1  0.826131  0.313582  0.912898  1
  Fe  Fe71  1  0.826211  0.813668  0.412931  1
  Fe  Fe72  1  0.826179  0.813801  0.912741  1
  Fe  Fe73  1  0.250309  0.378334  0.049748  1
  Fe  Fe74  1  0.250251  0.378510  0.549779  1
  Fe  Fe75  1  0.250211  0.878779  0.049846  1
  Fe  Fe76  1  0.250632  0.878749  0.548951  1
  Fe  Fe77  1  0.583495  0.378348  0.049750  1
  Fe  Fe78  1  0.583615  0.378451  0.549759  1
  Fe  Fe79  1  0.583319  0.878766  0.049797  1
  Fe  Fe80  1  0.583484  0.878682  0.549465  1
  Fe  Fe81  1  0.917000  0.378394  0.049720  1
  Fe  Fe82  1  0.916974  0.378445  0.549767  1
  Fe  Fe83  1  0.917041  0.878543  0.049579  1
  Fe  Fe84  1  0.917062  0.878550  0.549756  1
  Fe  Fe85  1  0.083654  0.371096  0.299688  1
  Fe  Fe86  1  0.083687  0.370990  0.799816  1
  Fe  Fe87  1  0.083382  0.870987  0.299653  1
  Fe  Fe88  1  0.083910  0.871268  0.799617  1
  Fe  Fe89  1  0.416964  0.371288  0.299691  1
  Fe  Fe90  1  0.416924  0.370869  0.799886  1
  Fe  Fe91  1  0.416687  0.871744  0.299687  1
  Fe  Fe92  1  0.416906  0.871275  0.799568  1
  Fe  Fe93  1  0.750289  0.371070  0.299670  1
  Fe  Fe94  1  0.750220  0.370995  0.799822  1
  Fe  Fe95  1  0.750456  0.870969  0.299593  1
  Fe  Fe96  1  0.750278  0.871270  0.799718  1
  P  P97  1  0.330997  0.186124  0.046184  1
  P  P98  1  0.331248  0.187089  0.544380  1
  P  P99  1  0.331218  0.686778  0.044855  1
  P  P100  1  0.331230  0.686858  0.544891  1
  P  P101  1  0.664348  0.186555  0.045037  1
  P  P102  1  0.664553  0.186697  0.544982  1
  P  P103  1  0.664542  0.686734  0.044818  1
  P  P104  1  0.664537  0.686712  0.545012  1
  P  P105  1  0.998214  0.186584  0.045063  1
  P  P106  1  0.997923  0.186681  0.544941  1
  P  P107  1  0.997893  0.686715  0.044795  1
  P  P108  1  0.997903  0.686731  0.545018  1
  P  P109  1  0.164812  0.063193  0.294521  1
  P  P110  1  0.164876  0.062846  0.794487  1
  P  P111  1  0.164569  0.562899  0.294911  1
  P  P112  1  0.164552  0.562951  0.794964  1
  P  P113  1  0.498354  0.062957  0.295001  1
  P  P114  1  0.497503  0.062998  0.794771  1
  P  P115  1  0.497888  0.562895  0.294918  1
  P  P116  1  0.497846  0.562902  0.794971  1
  P  P117  1  0.831311  0.062857  0.294845  1
  P  P118  1  0.831195  0.062898  0.795059  1
  P  P119  1  0.831215  0.562879  0.294933  1
  P  P120  1  0.831223  0.562876  0.794958  1
  P  P121  1  0.330802  0.062191  0.044928  1
  P  P122  1  0.331054  0.062670  0.539952  1
  P  P123  1  0.330966  0.562457  0.044527  1
  P  P124  1  0.330960  0.562537  0.544685  1
  P  P125  1  0.663940  0.062441  0.044822  1
  P  P126  1  0.664267  0.062417  0.544489  1
  P  P127  1  0.664296  0.562425  0.044542  1
  P  P128  1  0.664278  0.562434  0.544697  1
  P  P129  1  0.998016  0.062407  0.044766  1
  P  P130  1  0.997535  0.062426  0.544563  1
  P  P131  1  0.997658  0.562434  0.044558  1
  P  P132  1  0.997652  0.562456  0.544678  1
  P  P133  1  0.330644  0.059167  0.789960  1
  P  P134  1  0.330387  0.559147  0.289937  1
  P  P135  1  0.330356  0.559116  0.789957  1
  P  P136  1  0.663944  0.059073  0.289986  1
  P  P137  1  0.663345  0.059009  0.789951  1
  P  P138  1  0.663705  0.559046  0.289946  1
  P  P139  1  0.663666  0.559073  0.789962  1
  P  P140  1  0.997102  0.059053  0.289862  1
  P  P141  1  0.997279  0.059076  0.790036  1
  P  P142  1  0.997063  0.559070  0.289947  1
  P  P143  1  0.997051  0.559085  0.789952  1
  P  P144  1  0.162512  0.063719  0.044311  1
  P  P145  1  0.161283  0.063801  0.542799  1
  P  P146  1  0.161661  0.563896  0.043117  1
  P  P147  1  0.161656  0.563916  0.543294  1
  P  P148  1  0.494014  0.063623  0.044872  1
  P  P149  1  0.494861  0.063769  0.541669  1
  P  P150  1  0.494965  0.563862  0.043098  1
  P  P151  1  0.494939  0.563914  0.543302  1
  P  P152  1  0.828263  0.063840  0.043175  1
  P  P153  1  0.828305  0.063858  0.543340  1
  P  P154  1  0.828313  0.563859  0.043161  1
  P  P155  1  0.828296  0.563845  0.543282  1
  P  P156  1  0.079763  0.001700  0.417544  1
  P  P157  1  0.080084  0.001847  0.918207  1
  P  P158  1  0.079634  0.501679  0.417972  1
  P  P159  1  0.079647  0.501654  0.917909  1
  P  P160  1  0.411914  0.002648  0.413387  1
  P  P161  1  0.412938  0.001659  0.917915  1
  P  P162  1  0.412955  0.501750  0.417980  1
  P  P163  1  0.412941  0.501635  0.917916  1
  P  P164  1  0.746458  0.001665  0.417955  1
  P  P165  1  0.746077  0.001716  0.917976  1
  P  P166  1  0.746275  0.501647  0.417965  1
  P  P167  1  0.746288  0.501645  0.917927  1
  P  P168  1  0.079647  0.497882  0.167872  1
  P  P169  1  0.079629  0.497914  0.668012  1
  P  P170  1  0.080224  0.997973  0.168237  1
  P  P171  1  0.079876  0.997898  0.667688  1
  P  P172  1  0.412949  0.497909  0.167846  1
  P  P173  1  0.412954  0.497927  0.668036  1
  P  P174  1  0.411504  0.998694  0.171836  1
  P  P175  1  0.412603  0.998455  0.666621  1
  P  P176  1  0.746289  0.497894  0.167870  1
  P  P177  1  0.746268  0.497875  0.668022  1
  P  P178  1  0.746349  0.997920  0.167810  1
  P  P179  1  0.746164  0.997944  0.667970  1
  P  P180  1  0.164892  0.186748  0.294947  1
  P  P181  1  0.164561  0.186945  0.794416  1
  P  P182  1  0.164272  0.687131  0.294533  1
  P  P183  1  0.164357  0.687334  0.794586  1
  P  P184  1  0.497823  0.187459  0.295077  1
  P  P185  1  0.497209  0.186791  0.794439  1
  P  P186  1  0.497657  0.687107  0.294538  1
  P  P187  1  0.497599  0.687296  0.794578  1
  P  P188  1  0.831023  0.187123  0.294559  1
  P  P189  1  0.830939  0.187076  0.794760  1
  P  P190  1  0.830971  0.687146  0.294562  1
  P  P191  1  0.830959  0.687172  0.794610  1
  P  P192  1  0.246613  0.123690  0.168743  1
  P  P193  1  0.246245  0.124135  0.665970  1
  P  P194  1  0.245813  0.624423  0.166842  1
  P  P195  1  0.245827  0.624490  0.666947  1
  P  P196  1  0.578747  0.124289  0.167444  1
  P  P197  1  0.578717  0.124197  0.666529  1
  P  P198  1  0.579137  0.624344  0.166839  1
  P  P199  1  0.579082  0.624435  0.666967  1
  P  P200  1  0.912477  0.124359  0.166869  1
  P  P201  1  0.912480  0.124351  0.667064  1
  P  P202  1  0.912471  0.624375  0.166871  1
  P  P203  1  0.912479  0.624380  0.666971  1
  P  P204  1  0.245594  0.498893  0.168318  1
  P  P205  1  0.245587  0.498883  0.668523  1
  P  P206  1  0.248088  0.000026  0.172509  1
  P  P207  1  0.246143  0.999255  0.667269  1
  P  P208  1  0.578915  0.498844  0.168311  1
  P  P209  1  0.578887  0.498831  0.668521  1
  P  P210  1  0.578772  0.998824  0.168840  1
  P  P211  1  0.578554  0.998961  0.667934  1
  P  P212  1  0.912275  0.498856  0.168369  1
  P  P213  1  0.912244  0.498834  0.668482  1
  P  P214  1  0.912426  0.998883  0.168269  1
  P  P215  1  0.912357  0.998902  0.668531  1
  P  P216  1  0.327722  0.186335  0.293181  1
  P  P217  1  0.328588  0.185398  0.793014  1
  P  P218  1  0.328307  0.685811  0.293129  1
  P  P219  1  0.328287  0.685902  0.793162  1
  P  P220  1  0.661779  0.185713  0.293299  1
  P  P221  1  0.661285  0.185597  0.793289  1
  P  P222  1  0.661690  0.685688  0.293176  1
  P  P223  1  0.661586  0.685794  0.793190  1
  P  P224  1  0.995083  0.185721  0.293248  1
  P  P225  1  0.995150  0.185614  0.793361  1
  P  P226  1  0.994970  0.685714  0.293183  1
  P  P227  1  0.995027  0.685805  0.793222  1
  P  P228  1  0.246214  0.001301  0.415984  1
  P  P229  1  0.245703  0.000724  0.918267  1
  P  P230  1  0.245580  0.500803  0.418461  1
  P  P231  1  0.245605  0.500712  0.918362  1
  P  P232  1  0.578970  0.000601  0.418047  1
  P  P233  1  0.578456  0.000824  0.918774  1
  P  P234  1  0.578907  0.500728  0.418468  1
  P  P235  1  0.578903  0.500661  0.918384  1
  P  P236  1  0.912308  0.000709  0.418384  1
  P  P237  1  0.912406  0.000716  0.918498  1
  P  P238  1  0.912252  0.500710  0.418442  1
  P  P239  1  0.912284  0.500701  0.918385  1
  P  P240  1  0.079102  0.125192  0.416842  1
  P  P241  1  0.079448  0.125042  0.917237  1
  P  P242  1  0.079131  0.625227  0.416964  1
  P  P243  1  0.079171  0.625297  0.916861  1
  P  P244  1  0.412209  0.125214  0.414856  1
  P  P245  1  0.412224  0.125103  0.918186  1
  P  P246  1  0.412462  0.625304  0.416938  1
  P  P247  1  0.412460  0.625298  0.916837  1
  P  P248  1  0.745938  0.125199  0.416975  1
  P  P249  1  0.745535  0.125179  0.916988  1
  P  P250  1  0.745803  0.625209  0.416976  1
  P  P251  1  0.745783  0.625225  0.916859  1
  P  P252  1  0.164055  0.190210  0.040503  1
  P  P253  1  0.163837  0.190385  0.539658  1
  P  P254  1  0.163716  0.690657  0.039866  1
  P  P255  1  0.163740  0.690622  0.539938  1
  P  P256  1  0.496421  0.189999  0.041145  1
  P  P257  1  0.496858  0.190377  0.539358  1
  P  P258  1  0.497016  0.690583  0.039823  1
  P  P259  1  0.497005  0.690627  0.539929  1
  P  P260  1  0.830346  0.190456  0.039950  1
  P  P261  1  0.830402  0.190486  0.540080  1
  P  P262  1  0.830363  0.690529  0.039840  1
  P  P263  1  0.830389  0.690526  0.540038  1
  P  P264  1  0.079385  0.123629  0.173990  1
  P  P265  1  0.079440  0.123533  0.673658  1
  P  P266  1  0.079316  0.623588  0.173716  1
  P  P267  1  0.079358  0.623680  0.673866  1
  P  P268  1  0.410572  0.122020  0.178022  1
  P  P269  1  0.412309  0.123310  0.672209  1
  P  P270  1  0.412636  0.623590  0.173714  1
  P  P271  1  0.412622  0.623712  0.673857  1
  P  P272  1  0.745893  0.123578  0.173791  1
  P  P273  1  0.745787  0.123567  0.673912  1
  P  P274  1  0.745969  0.623585  0.173736  1
  P  P275  1  0.745962  0.623598  0.673872  1
  P  P276  1  0.246302  0.125961  0.422916  1
  P  P277  1  0.245956  0.125871  0.923705  1
  P  P278  1  0.245968  0.626081  0.423804  1
  P  P279  1  0.245992  0.626098  0.923773  1
  P  P280  1  0.579533  0.126095  0.423755  1
  P  P281  1  0.578698  0.125744  0.924137  1
  P  P282  1  0.579300  0.625987  0.423836  1
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  P  P479  1  0.745882  0.876090  0.923777  1
