# generated using pymatgen
data_Fe96P383
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.30308179
_cell_length_b   27.06359558
_cell_length_c   18.91580668
_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   10392.2755625
_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  0.160535  0.185210  0.161925  1
  Fe  Fe2  1  0.159507  0.185964  0.663036  1
  Fe  Fe3  1  0.159598  0.685984  0.162333  1
  Fe  Fe4  1  0.159574  0.686002  0.662513  1
  Fe  Fe5  1  0.493149  0.186306  0.163234  1
  Fe  Fe6  1  0.493102  0.186155  0.662372  1
  Fe  Fe7  1  0.492873  0.686088  0.162370  1
  Fe  Fe8  1  0.492890  0.686061  0.662445  1
  Fe  Fe9  1  0.826367  0.185971  0.162330  1
  Fe  Fe10  1  0.826303  0.185995  0.662369  1
  Fe  Fe11  1  0.826230  0.686019  0.162383  1
  Fe  Fe12  1  0.826240  0.686032  0.662406  1
  Fe  Fe13  1  0.325918  0.063909  0.412966  1
  Fe  Fe14  1  0.327881  0.063521  0.905168  1
  Fe  Fe15  1  0.326274  0.563825  0.412374  1
  Fe  Fe16  1  0.326280  0.563881  0.912396  1
  Fe  Fe17  1  0.659352  0.063881  0.412180  1
  Fe  Fe18  1  0.659687  0.063855  0.912116  1
  Fe  Fe19  1  0.659621  0.563872  0.412375  1
  Fe  Fe20  1  0.659635  0.563888  0.912361  1
  Fe  Fe21  1  0.992785  0.063841  0.412346  1
  Fe  Fe22  1  0.993195  0.063759  0.912535  1
  Fe  Fe23  1  0.992978  0.563780  0.412383  1
  Fe  Fe24  1  0.993000  0.563822  0.912372  1
  Fe  Fe25  1  0.084007  0.128170  0.049164  1
  Fe  Fe26  1  0.083783  0.128693  0.549095  1
  Fe  Fe27  1  0.083831  0.628623  0.049123  1
  Fe  Fe28  1  0.083804  0.628622  0.549200  1
  Fe  Fe29  1  0.420629  0.132781  0.047672  1
  Fe  Fe30  1  0.417122  0.128616  0.549394  1
  Fe  Fe31  1  0.417078  0.628730  0.049151  1
  Fe  Fe32  1  0.417118  0.628660  0.549163  1
  Fe  Fe33  1  0.750264  0.128438  0.049190  1
  Fe  Fe34  1  0.750493  0.128652  0.549080  1
  Fe  Fe35  1  0.750460  0.628671  0.049128  1
  Fe  Fe36  1  0.750474  0.628671  0.549149  1
  Fe  Fe37  1  0.250566  0.121017  0.297825  1
  Fe  Fe38  1  0.250107  0.121807  0.799011  1
  Fe  Fe39  1  0.250481  0.621177  0.299094  1
  Fe  Fe40  1  0.250459  0.621237  0.799213  1
  Fe  Fe41  1  0.583720  0.121221  0.298805  1
  Fe  Fe42  1  0.583816  0.121288  0.799188  1
  Fe  Fe43  1  0.583789  0.621261  0.299152  1
  Fe  Fe44  1  0.583783  0.621296  0.799136  1
  Fe  Fe45  1  0.917087  0.121185  0.299046  1
  Fe  Fe46  1  0.917354  0.121177  0.799308  1
  Fe  Fe47  1  0.917152  0.621191  0.299150  1
  Fe  Fe48  1  0.917161  0.621229  0.799166  1
  Fe  Fe49  1  0.326316  0.435979  0.162346  1
  Fe  Fe50  1  0.326283  0.436001  0.662401  1
  Fe  Fe51  1  0.325771  0.934105  0.165068  1
  Fe  Fe52  1  0.326166  0.935987  0.661997  1
  Fe  Fe53  1  0.659673  0.436046  0.162421  1
  Fe  Fe54  1  0.659707  0.436042  0.662310  1
  Fe  Fe55  1  0.659105  0.936264  0.162196  1
  Fe  Fe56  1  0.659518  0.936015  0.662475  1
  Fe  Fe57  1  0.993073  0.435920  0.162333  1
  Fe  Fe58  1  0.993056  0.435944  0.662404  1
  Fe  Fe59  1  0.992643  0.935927  0.162469  1
  Fe  Fe60  1  0.992769  0.936010  0.662369  1
  Fe  Fe61  1  0.159772  0.313696  0.412193  1
  Fe  Fe62  1  0.159972  0.313533  0.912433  1
  Fe  Fe63  1  0.159383  0.813728  0.412472  1
  Fe  Fe64  1  0.159803  0.814115  0.912499  1
  Fe  Fe65  1  0.492937  0.313790  0.412363  1
  Fe  Fe66  1  0.493150  0.313950  0.912265  1
  Fe  Fe67  1  0.492790  0.813950  0.412246  1
  Fe  Fe68  1  0.492609  0.814145  0.912585  1
  Fe  Fe69  1  0.826386  0.313801  0.412354  1
  Fe  Fe70  1  0.826445  0.313867  0.912347  1
  Fe  Fe71  1  0.826099  0.813849  0.412369  1
  Fe  Fe72  1  0.826182  0.813845  0.912392  1
  Fe  Fe73  1  0.250614  0.378538  0.049168  1
  Fe  Fe74  1  0.250512  0.378610  0.549112  1
  Fe  Fe75  1  0.251394  0.879445  0.049168  1
  Fe  Fe76  1  0.250296  0.878504  0.549201  1
  Fe  Fe77  1  0.583953  0.378788  0.049077  1
  Fe  Fe78  1  0.583896  0.378657  0.549122  1
  Fe  Fe79  1  0.583549  0.878765  0.049144  1
  Fe  Fe80  1  0.583738  0.878644  0.549043  1
  Fe  Fe81  1  0.917245  0.378563  0.049140  1
  Fe  Fe82  1  0.917307  0.378583  0.549090  1
  Fe  Fe83  1  0.917042  0.878610  0.049129  1
  Fe  Fe84  1  0.916996  0.878644  0.549177  1
  Fe  Fe85  1  0.083997  0.371079  0.299002  1
  Fe  Fe86  1  0.083947  0.371121  0.799253  1
  Fe  Fe87  1  0.083595  0.871167  0.299287  1
  Fe  Fe88  1  0.083887  0.871351  0.799235  1
  Fe  Fe89  1  0.417187  0.371142  0.299100  1
  Fe  Fe90  1  0.417227  0.371272  0.799084  1
  Fe  Fe91  1  0.416771  0.871374  0.298781  1
  Fe  Fe92  1  0.416986  0.871357  0.799449  1
  Fe  Fe93  1  0.750609  0.371221  0.299140  1
  Fe  Fe94  1  0.750656  0.371284  0.799070  1
  Fe  Fe95  1  0.750193  0.871282  0.299114  1
  Fe  Fe96  1  0.750315  0.871296  0.799184  1
  P  P97  1  0.332238  0.186228  0.044379  1
  P  P98  1  0.331323  0.186863  0.544553  1
  P  P99  1  0.331326  0.687005  0.044434  1
  P  P100  1  0.331311  0.686835  0.544467  1
  P  P101  1  0.665028  0.186956  0.044271  1
  P  P102  1  0.664694  0.186827  0.544363  1
  P  P103  1  0.664651  0.686895  0.044432  1
  P  P104  1  0.664635  0.686898  0.544462  1
  P  P105  1  0.998315  0.186621  0.044410  1
  P  P106  1  0.998107  0.186839  0.544429  1
  P  P107  1  0.997988  0.686813  0.044417  1
  P  P108  1  0.998000  0.686811  0.544530  1
  P  P109  1  0.164802  0.062940  0.294199  1
  P  P110  1  0.164650  0.063073  0.794297  1
  P  P111  1  0.164706  0.562942  0.294387  1
  P  P112  1  0.164708  0.562998  0.794521  1
  P  P113  1  0.497551  0.063195  0.293959  1
  P  P114  1  0.497917  0.063047  0.794281  1
  P  P115  1  0.498013  0.563060  0.294449  1
  P  P116  1  0.498025  0.563092  0.794428  1
  P  P117  1  0.831157  0.063033  0.294328  1
  P  P118  1  0.831353  0.063016  0.794591  1
  P  P119  1  0.831377  0.563013  0.294447  1
  P  P120  1  0.831374  0.563015  0.794421  1
  P  P121  1  0.330990  0.062630  0.544498  1
  P  P122  1  0.331124  0.562614  0.044046  1
  P  P123  1  0.331082  0.562579  0.544058  1
  P  P124  1  0.663539  0.062682  0.043922  1
  P  P125  1  0.664384  0.062617  0.543932  1
  P  P126  1  0.664427  0.562622  0.044050  1
  P  P127  1  0.664436  0.562629  0.544045  1
  P  P128  1  0.997539  0.062415  0.044151  1
  P  P129  1  0.997685  0.062619  0.544008  1
  P  P130  1  0.997776  0.562551  0.044041  1
  P  P131  1  0.997807  0.562529  0.544074  1
  P  P132  1  0.330653  0.059278  0.290188  1
  P  P133  1  0.330535  0.059104  0.786746  1
  P  P134  1  0.330540  0.559178  0.289458  1
  P  P135  1  0.330542  0.559226  0.789521  1
  P  P136  1  0.663504  0.059179  0.289204  1
  P  P137  1  0.663777  0.059197  0.789526  1
  P  P138  1  0.663883  0.559240  0.289502  1
  P  P139  1  0.663873  0.559257  0.789459  1
  P  P140  1  0.997096  0.059157  0.289435  1
  P  P141  1  0.997240  0.059143  0.789618  1
  P  P142  1  0.997227  0.559151  0.289470  1
  P  P143  1  0.997213  0.559168  0.789506  1
  P  P144  1  0.161111  0.063293  0.043271  1
  P  P145  1  0.161678  0.064060  0.542691  1
  P  P146  1  0.161817  0.563977  0.042645  1
  P  P147  1  0.161813  0.563952  0.542719  1
  P  P148  1  0.491412  0.064361  0.042718  1
  P  P149  1  0.495204  0.064094  0.542820  1
  P  P150  1  0.495149  0.564080  0.042681  1
  P  P151  1  0.495124  0.564050  0.542679  1
  P  P152  1  0.828114  0.063943  0.042676  1
  P  P153  1  0.828413  0.064000  0.542619  1
  P  P154  1  0.828459  0.563996  0.042685  1
  P  P155  1  0.828501  0.564014  0.542686  1
  P  P156  1  0.079581  0.001784  0.417344  1
  P  P157  1  0.079957  0.001648  0.917419  1
  P  P158  1  0.079830  0.501718  0.417359  1
  P  P159  1  0.079816  0.501746  0.917426  1
  P  P160  1  0.413090  0.001977  0.417849  1
  P  P161  1  0.412351  0.002038  0.916901  1
  P  P162  1  0.413108  0.501803  0.417400  1
  P  P163  1  0.413149  0.501865  0.917403  1
  P  P164  1  0.746179  0.001824  0.417246  1
  P  P165  1  0.746204  0.001810  0.917514  1
  P  P166  1  0.746492  0.501830  0.417418  1
  P  P167  1  0.746475  0.501821  0.917375  1
  P  P168  1  0.079833  0.497987  0.167361  1
  P  P169  1  0.079848  0.497990  0.667468  1
  P  P170  1  0.079587  0.997823  0.167717  1
  P  P171  1  0.079575  0.998051  0.667392  1
  P  P172  1  0.413135  0.498090  0.167396  1
  P  P173  1  0.413106  0.498086  0.667391  1
  P  P174  1  0.411346  0.998071  0.167294  1
  P  P175  1  0.413304  0.997859  0.666992  1
  P  P176  1  0.746495  0.498070  0.167424  1
  P  P177  1  0.746515  0.498084  0.667364  1
  P  P178  1  0.745969  0.998173  0.167177  1
  P  P179  1  0.746335  0.998068  0.667444  1
  P  P180  1  0.164765  0.186981  0.293497  1
  P  P181  1  0.164671  0.187064  0.794961  1
  P  P182  1  0.164383  0.687187  0.294021  1
  P  P183  1  0.164446  0.687331  0.794183  1
  P  P184  1  0.497344  0.187050  0.293860  1
  P  P185  1  0.497901  0.187374  0.794067  1
  P  P186  1  0.497725  0.687337  0.294033  1
  P  P187  1  0.497715  0.687370  0.794123  1
  P  P188  1  0.831101  0.187263  0.293982  1
  P  P189  1  0.831260  0.187231  0.794080  1
  P  P190  1  0.831091  0.687277  0.294052  1
  P  P191  1  0.831083  0.687284  0.794072  1
  P  P192  1  0.246752  0.123430  0.164814  1
  P  P193  1  0.245802  0.124589  0.666448  1
  P  P194  1  0.245941  0.624472  0.166387  1
  P  P195  1  0.245933  0.624486  0.666533  1
  P  P196  1  0.579107  0.124497  0.166082  1
  P  P197  1  0.579395  0.124556  0.666481  1
  P  P198  1  0.579246  0.624549  0.166457  1
  P  P199  1  0.579246  0.624565  0.666452  1
  P  P200  1  0.912581  0.124411  0.166373  1
  P  P201  1  0.912641  0.124465  0.666537  1
  P  P202  1  0.912584  0.624470  0.166444  1
  P  P203  1  0.912604  0.624487  0.666478  1
  P  P204  1  0.245790  0.498943  0.167819  1
  P  P205  1  0.245755  0.498973  0.667913  1
  P  P206  1  0.245775  0.998879  0.168418  1
  P  P207  1  0.245325  0.998829  0.667585  1
  P  P208  1  0.579123  0.499064  0.167922  1
  P  P209  1  0.579121  0.499068  0.667826  1
  P  P210  1  0.578095  0.999214  0.167379  1
  P  P211  1  0.579075  0.999049  0.667858  1
  P  P212  1  0.912481  0.498969  0.167861  1
  P  P213  1  0.912502  0.498967  0.667862  1
  P  P214  1  0.912127  0.998952  0.167911  1
  P  P215  1  0.912270  0.999036  0.667915  1
  P  P216  1  0.328645  0.185457  0.291919  1
  P  P217  1  0.328469  0.185977  0.792614  1
  P  P218  1  0.328428  0.685859  0.292656  1
  P  P219  1  0.328436  0.685933  0.792804  1
  P  P220  1  0.661628  0.185834  0.292582  1
  P  P221  1  0.661949  0.185845  0.792657  1
  P  P222  1  0.661779  0.685892  0.292681  1
  P  P223  1  0.661758  0.685922  0.792699  1
  P  P224  1  0.995203  0.185764  0.292535  1
  P  P225  1  0.995371  0.185752  0.792944  1
  P  P226  1  0.995132  0.685811  0.292669  1
  P  P227  1  0.995143  0.685867  0.792742  1
  P  P228  1  0.245450  0.000946  0.418184  1
  P  P229  1  0.246476  0.001613  0.918010  1
  P  P230  1  0.245760  0.500775  0.417843  1
  P  P231  1  0.245800  0.500800  0.917920  1
  P  P232  1  0.578814  0.000934  0.417670  1
  P  P233  1  0.578429  0.001119  0.918293  1
  P  P234  1  0.579094  0.500873  0.417878  1
  P  P235  1  0.579117  0.500909  0.917845  1
  P  P236  1  0.912188  0.000860  0.417821  1
  P  P237  1  0.912374  0.000801  0.917948  1
  P  P238  1  0.912480  0.500792  0.417872  1
  P  P239  1  0.912443  0.500821  0.917880  1
  P  P240  1  0.079273  0.125314  0.416305  1
  P  P241  1  0.079879  0.125066  0.916617  1
  P  P242  1  0.079286  0.625295  0.416475  1
  P  P243  1  0.079282  0.625373  0.916459  1
  P  P244  1  0.412406  0.125421  0.416734  1
  P  P245  1  0.412515  0.125321  0.916143  1
  P  P246  1  0.412578  0.625390  0.416445  1
  P  P247  1  0.412599  0.625451  0.916477  1
  P  P248  1  0.745798  0.125346  0.416325  1
  P  P249  1  0.745920  0.125373  0.916473  1
  P  P250  1  0.745948  0.625398  0.416458  1
  P  P251  1  0.745947  0.625389  0.916435  1
  P  P252  1  0.164189  0.190246  0.039076  1
  P  P253  1  0.163880  0.190620  0.539587  1
  P  P254  1  0.163834  0.690737  0.039465  1
  P  P255  1  0.163865  0.690588  0.539572  1
  P  P256  1  0.498787  0.191769  0.039120  1
  P  P257  1  0.497219  0.190707  0.539503  1
  P  P258  1  0.497192  0.690705  0.039480  1
  P  P259  1  0.497135  0.690708  0.539502  1
  P  P260  1  0.830670  0.190566  0.039478  1
  P  P261  1  0.830598  0.190618  0.539451  1
  P  P262  1  0.830516  0.690658  0.039476  1
  P  P263  1  0.830510  0.690674  0.539511  1
  P  P264  1  0.079641  0.123513  0.173198  1
  P  P265  1  0.079417  0.123733  0.673336  1
  P  P266  1  0.079427  0.623663  0.173191  1
  P  P267  1  0.079451  0.623676  0.673318  1
  P  P268  1  0.412139  0.123324  0.171171  1
  P  P269  1  0.412973  0.123930  0.673332  1
  P  P270  1  0.412742  0.623760  0.173219  1
  P  P271  1  0.412733  0.623754  0.673276  1
  P  P272  1  0.745954  0.123734  0.173157  1
  P  P273  1  0.746154  0.123665  0.673227  1
  P  P274  1  0.746078  0.623725  0.173231  1
  P  P275  1  0.746082  0.623738  0.673239  1
  P  P276  1  0.246059  0.126185  0.422940  1
  P  P277  1  0.248172  0.124361  0.925120  1
  P  P278  1  0.246082  0.626102  0.423210  1
  P  P279  1  0.246118  0.626215  0.923310  1
  P  P280  1  0.579227  0.126141  0.423045  1
  P  P281  1  0.579223  0.126065  0.923331  1
  P  P282  1  0.579427  0.626210  0.423233  1
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  P  P479  1  0.745977  0.876147  0.923252  1
