# generated using pymatgen
data_Fe96P383
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.30519643
_cell_length_b   27.06337577
_cell_length_c   18.91326360
_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   10391.876255
_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  0.158008  0.186462  0.162922  1
  Fe  Fe2  1  0.159749  0.185967  0.661747  1
  Fe  Fe3  1  0.159609  0.686056  0.162353  1
  Fe  Fe4  1  0.159584  0.686043  0.662471  1
  Fe  Fe5  1  0.492820  0.185697  0.162191  1
  Fe  Fe6  1  0.493008  0.186013  0.662397  1
  Fe  Fe7  1  0.492848  0.686022  0.162419  1
  Fe  Fe8  1  0.492856  0.686004  0.662415  1
  Fe  Fe9  1  0.826337  0.185956  0.162322  1
  Fe  Fe10  1  0.826233  0.186017  0.662376  1
  Fe  Fe11  1  0.826210  0.686021  0.162430  1
  Fe  Fe12  1  0.826253  0.686049  0.662380  1
  Fe  Fe13  1  0.326908  0.063275  0.413626  1
  Fe  Fe14  1  0.326112  0.064172  0.913282  1
  Fe  Fe15  1  0.326183  0.563791  0.412306  1
  Fe  Fe16  1  0.326180  0.563806  0.912452  1
  Fe  Fe17  1  0.659462  0.063823  0.412246  1
  Fe  Fe18  1  0.659679  0.063815  0.912412  1
  Fe  Fe19  1  0.659493  0.563815  0.412397  1
  Fe  Fe20  1  0.659515  0.563846  0.912365  1
  Fe  Fe21  1  0.992893  0.063862  0.412356  1
  Fe  Fe22  1  0.992871  0.064062  0.912727  1
  Fe  Fe23  1  0.992897  0.563865  0.412401  1
  Fe  Fe24  1  0.992898  0.563854  0.912351  1
  Fe  Fe25  1  0.081648  0.128999  0.047518  1
  Fe  Fe26  1  0.083548  0.128592  0.549252  1
  Fe  Fe27  1  0.083770  0.628649  0.049180  1
  Fe  Fe28  1  0.083778  0.628679  0.549187  1
  Fe  Fe29  1  0.419559  0.128730  0.047096  1
  Fe  Fe30  1  0.417046  0.128650  0.549379  1
  Fe  Fe31  1  0.417020  0.628641  0.049217  1
  Fe  Fe32  1  0.417034  0.628626  0.549148  1
  Fe  Fe33  1  0.750571  0.128584  0.049214  1
  Fe  Fe34  1  0.750456  0.128622  0.549060  1
  Fe  Fe35  1  0.750395  0.628641  0.049150  1
  Fe  Fe36  1  0.750404  0.628630  0.549198  1
  Fe  Fe37  1  0.249019  0.122015  0.309138  1
  Fe  Fe38  1  0.250533  0.121195  0.798326  1
  Fe  Fe39  1  0.250405  0.621206  0.299126  1
  Fe  Fe40  1  0.250398  0.621201  0.799229  1
  Fe  Fe41  1  0.583561  0.121270  0.299138  1
  Fe  Fe42  1  0.583848  0.121211  0.799106  1
  Fe  Fe43  1  0.583716  0.621203  0.299180  1
  Fe  Fe44  1  0.583710  0.621214  0.799138  1
  Fe  Fe45  1  0.917252  0.121212  0.299021  1
  Fe  Fe46  1  0.917191  0.121249  0.799239  1
  Fe  Fe47  1  0.917086  0.621247  0.299185  1
  Fe  Fe48  1  0.917110  0.621263  0.799142  1
  Fe  Fe49  1  0.326072  0.435794  0.162298  1
  Fe  Fe50  1  0.326156  0.435983  0.662410  1
  Fe  Fe51  1  0.326081  0.936388  0.162427  1
  Fe  Fe52  1  0.326261  0.935960  0.662659  1
  Fe  Fe53  1  0.659506  0.436008  0.162402  1
  Fe  Fe54  1  0.659470  0.435977  0.662306  1
  Fe  Fe55  1  0.659621  0.935987  0.162445  1
  Fe  Fe56  1  0.659645  0.936020  0.662373  1
  Fe  Fe57  1  0.992814  0.436070  0.162335  1
  Fe  Fe58  1  0.992879  0.436020  0.662399  1
  Fe  Fe59  1  0.992935  0.936026  0.162446  1
  Fe  Fe60  1  0.992910  0.936032  0.662639  1
  Fe  Fe61  1  0.159566  0.313700  0.412019  1
  Fe  Fe62  1  0.159587  0.313688  0.912710  1
  Fe  Fe63  1  0.159627  0.813939  0.412373  1
  Fe  Fe64  1  0.159614  0.814000  0.912507  1
  Fe  Fe65  1  0.492567  0.313595  0.412155  1
  Fe  Fe66  1  0.492770  0.313743  0.912403  1
  Fe  Fe67  1  0.492896  0.813854  0.412348  1
  Fe  Fe68  1  0.492849  0.813896  0.912515  1
  Fe  Fe69  1  0.826157  0.313843  0.412364  1
  Fe  Fe70  1  0.826178  0.313888  0.912325  1
  Fe  Fe71  1  0.826270  0.813852  0.412451  1
  Fe  Fe72  1  0.826245  0.813845  0.912402  1
  Fe  Fe73  1  0.250307  0.378441  0.049155  1
  Fe  Fe74  1  0.250447  0.378679  0.548987  1
  Fe  Fe75  1  0.250390  0.879015  0.049336  1
  Fe  Fe76  1  0.250540  0.878617  0.549131  1
  Fe  Fe77  1  0.583732  0.378651  0.049137  1
  Fe  Fe78  1  0.583637  0.378554  0.549091  1
  Fe  Fe79  1  0.583800  0.878625  0.049200  1
  Fe  Fe80  1  0.583812  0.878646  0.549194  1
  Fe  Fe81  1  0.916970  0.378703  0.049100  1
  Fe  Fe82  1  0.917071  0.378645  0.549179  1
  Fe  Fe83  1  0.917078  0.878620  0.049248  1
  Fe  Fe84  1  0.917248  0.878732  0.549212  1
  Fe  Fe85  1  0.083744  0.371148  0.298987  1
  Fe  Fe86  1  0.083770  0.371108  0.799296  1
  Fe  Fe87  1  0.083912  0.871419  0.299111  1
  Fe  Fe88  1  0.083872  0.871294  0.799289  1
  Fe  Fe89  1  0.416833  0.370905  0.298942  1
  Fe  Fe90  1  0.416984  0.371143  0.799214  1
  Fe  Fe91  1  0.416994  0.871457  0.299151  1
  Fe  Fe92  1  0.417043  0.871303  0.799309  1
  Fe  Fe93  1  0.750348  0.371251  0.299151  1
  Fe  Fe94  1  0.750383  0.371245  0.799075  1
  Fe  Fe95  1  0.750480  0.871180  0.299208  1
  Fe  Fe96  1  0.750507  0.871245  0.799166  1
  P  P97  1  0.330940  0.185934  0.045123  1
  P  P98  1  0.331575  0.187080  0.544651  1
  P  P99  1  0.331283  0.686885  0.044517  1
  P  P100  1  0.331272  0.686836  0.544449  1
  P  P101  1  0.664655  0.186782  0.044455  1
  P  P102  1  0.664637  0.186816  0.544358  1
  P  P103  1  0.664626  0.686834  0.044461  1
  P  P104  1  0.664603  0.686838  0.544486  1
  P  P105  1  0.997698  0.187051  0.044369  1
  P  P106  1  0.997762  0.186865  0.544460  1
  P  P107  1  0.997955  0.686864  0.044450  1
  P  P108  1  0.998022  0.686899  0.544490  1
  P  P109  1  0.165690  0.063784  0.294265  1
  P  P110  1  0.164796  0.062968  0.794018  1
  P  P111  1  0.164601  0.563002  0.294378  1
  P  P112  1  0.164628  0.563000  0.794527  1
  P  P113  1  0.497499  0.063185  0.294219  1
  P  P114  1  0.498149  0.062970  0.794445  1
  P  P115  1  0.497922  0.562978  0.294440  1
  P  P116  1  0.497911  0.562995  0.794456  1
  P  P117  1  0.831488  0.063041  0.294323  1
  P  P118  1  0.831443  0.063028  0.794576  1
  P  P119  1  0.831280  0.563035  0.294495  1
  P  P120  1  0.831281  0.563041  0.794393  1
  P  P121  1  0.330803  0.063573  0.045118  1
  P  P122  1  0.331463  0.062256  0.544615  1
  P  P123  1  0.331024  0.562525  0.044121  1
  P  P124  1  0.330989  0.562544  0.544005  1
  P  P125  1  0.664535  0.062554  0.044099  1
  P  P126  1  0.664420  0.062576  0.543967  1
  P  P127  1  0.664346  0.562576  0.044062  1
  P  P128  1  0.664329  0.562566  0.544069  1
  P  P129  1  0.998033  0.062481  0.044434  1
  P  P130  1  0.997575  0.062567  0.544032  1
  P  P131  1  0.997661  0.562628  0.044039  1
  P  P132  1  0.997746  0.562600  0.544088  1
  P  P133  1  0.329028  0.060369  0.289045  1
  P  P134  1  0.330470  0.059214  0.789506  1
  P  P135  1  0.330406  0.559105  0.289409  1
  P  P136  1  0.330448  0.559165  0.789553  1
  P  P137  1  0.663736  0.059215  0.289457  1
  P  P138  1  0.663974  0.059202  0.789518  1
  P  P139  1  0.663789  0.559195  0.289517  1
  P  P140  1  0.663758  0.559193  0.789438  1
  P  P141  1  0.997702  0.059460  0.289237  1
  P  P142  1  0.997321  0.059233  0.789711  1
  P  P143  1  0.997122  0.559239  0.289493  1
  P  P144  1  0.997148  0.559210  0.789487  1
  P  P145  1  0.163285  0.065628  0.045112  1
  P  P146  1  0.161387  0.063721  0.542879  1
  P  P147  1  0.161712  0.563980  0.042709  1
  P  P148  1  0.161749  0.564012  0.542679  1
  P  P149  1  0.495288  0.063866  0.042587  1
  P  P150  1  0.495155  0.063922  0.542715  1
  P  P151  1  0.495045  0.563993  0.042725  1
  P  P152  1  0.494991  0.563962  0.542648  1
  P  P153  1  0.828617  0.064012  0.042777  1
  P  P154  1  0.828479  0.064016  0.542616  1
  P  P155  1  0.828366  0.564012  0.042676  1
  P  P156  1  0.828404  0.564006  0.542727  1
  P  P157  1  0.080018  0.002040  0.417043  1
  P  P158  1  0.080267  0.002485  0.918465  1
  P  P159  1  0.079713  0.501815  0.417358  1
  P  P160  1  0.079694  0.501776  0.917452  1
  P  P161  1  0.413015  0.001831  0.416887  1
  P  P162  1  0.412904  0.002181  0.917823  1
  P  P163  1  0.412959  0.501711  0.417297  1
  P  P164  1  0.412988  0.501739  0.917474  1
  P  P165  1  0.746445  0.001837  0.417346  1
  P  P166  1  0.746522  0.001791  0.917492  1
  P  P167  1  0.746345  0.501792  0.417450  1
  P  P168  1  0.746325  0.501802  0.917350  1
  P  P169  1  0.079644  0.498105  0.167358  1
  P  P170  1  0.079738  0.498040  0.667447  1
  P  P171  1  0.079801  0.998008  0.167658  1
  P  P172  1  0.079689  0.998029  0.667495  1
  P  P173  1  0.412953  0.497955  0.167402  1
  P  P174  1  0.412962  0.498009  0.667399  1
  P  P175  1  0.413166  0.998168  0.167777  1
  P  P176  1  0.413229  0.997903  0.667754  1
  P  P177  1  0.746325  0.498052  0.167443  1
  P  P178  1  0.746308  0.498038  0.667372  1
  P  P179  1  0.746439  0.998045  0.167478  1
  P  P180  1  0.746484  0.998066  0.667414  1
  P  P181  1  0.164257  0.187033  0.294208  1
  P  P182  1  0.164415  0.187322  0.793487  1
  P  P183  1  0.164382  0.687306  0.294033  1
  P  P184  1  0.164409  0.687318  0.794172  1
  P  P185  1  0.497141  0.187110  0.293823  1
  P  P186  1  0.497854  0.187334  0.794012  1
  P  P187  1  0.497698  0.687273  0.294087  1
  P  P188  1  0.497669  0.687269  0.794111  1
  P  P189  1  0.831107  0.187264  0.293979  1
  P  P190  1  0.831100  0.187259  0.794101  1
  P  P191  1  0.831034  0.687279  0.294127  1
  P  P192  1  0.831037  0.687294  0.794053  1
  P  P193  1  0.245976  0.124506  0.665791  1
  P  P194  1  0.245867  0.624477  0.166428  1
  P  P195  1  0.245884  0.624491  0.666512  1
  P  P196  1  0.579224  0.124414  0.166459  1
  P  P197  1  0.579347  0.124488  0.666414  1
  P  P198  1  0.579202  0.624484  0.166480  1
  P  P199  1  0.579157  0.624476  0.666435  1
  P  P200  1  0.912952  0.124580  0.166334  1
  P  P201  1  0.912564  0.124484  0.666522  1
  P  P202  1  0.912530  0.624511  0.166471  1
  P  P203  1  0.912580  0.624524  0.666453  1
  P  P204  1  0.245619  0.498831  0.167833  1
  P  P205  1  0.245653  0.498984  0.667905  1
  P  P206  1  0.245880  0.999465  0.167753  1
  P  P207  1  0.245739  0.998921  0.667865  1
  P  P208  1  0.578955  0.498999  0.167922  1
  P  P209  1  0.578904  0.498968  0.667833  1
  P  P210  1  0.579096  0.998986  0.167981  1
  P  P211  1  0.579125  0.999010  0.667938  1
  P  P212  1  0.912281  0.499057  0.167888  1
  P  P213  1  0.912355  0.499012  0.667892  1
  P  P214  1  0.912408  0.999027  0.168050  1
  P  P215  1  0.912444  0.999048  0.668022  1
  P  P216  1  0.326783  0.184448  0.291692  1
  P  P217  1  0.328411  0.185952  0.792202  1
  P  P218  1  0.328390  0.685866  0.292637  1
  P  P219  1  0.328393  0.685868  0.792802  1
  P  P220  1  0.661571  0.185840  0.292643  1
  P  P221  1  0.661855  0.185847  0.792637  1
  P  P222  1  0.661743  0.685841  0.292751  1
  P  P223  1  0.661700  0.685861  0.792677  1
  P  P224  1  0.995272  0.185831  0.292404  1
  P  P225  1  0.995110  0.185902  0.792746  1
  P  P226  1  0.995070  0.685899  0.292725  1
  P  P227  1  0.995107  0.685908  0.792736  1
  P  P228  1  0.245787  0.000562  0.418466  1
  P  P229  1  0.245627  0.001385  0.918629  1
  P  P230  1  0.245646  0.500754  0.417760  1
  P  P231  1  0.245654  0.500771  0.917989  1
  P  P232  1  0.578959  0.000881  0.417729  1
  P  P233  1  0.579123  0.000806  0.917892  1
  P  P234  1  0.578939  0.500794  0.417861  1
  P  P235  1  0.578974  0.500837  0.917872  1
  P  P236  1  0.912510  0.000888  0.417694  1
  P  P237  1  0.912568  0.000888  0.918061  1
  P  P238  1  0.912348  0.500859  0.417921  1
  P  P239  1  0.912295  0.500878  0.917830  1
  P  P240  1  0.079214  0.125427  0.416626  1
  P  P241  1  0.079613  0.125391  0.916188  1
  P  P242  1  0.079223  0.625402  0.416458  1
  P  P243  1  0.079212  0.625397  0.916481  1
  P  P244  1  0.412744  0.125334  0.416842  1
  P  P245  1  0.412601  0.125496  0.915829  1
  P  P246  1  0.412496  0.625336  0.416414  1
  P  P247  1  0.412520  0.625347  0.916518  1
  P  P248  1  0.745868  0.125351  0.416324  1
  P  P249  1  0.746020  0.125353  0.916494  1
  P  P250  1  0.745854  0.625357  0.416507  1
  P  P251  1  0.745851  0.625365  0.916426  1
  P  P252  1  0.164160  0.190008  0.040562  1
  P  P253  1  0.163346  0.190989  0.539445  1
  P  P254  1  0.163793  0.690738  0.039511  1
  P  P255  1  0.163846  0.690682  0.539522  1
  P  P256  1  0.497362  0.190872  0.039221  1
  P  P257  1  0.497207  0.190669  0.539487  1
  P  P258  1  0.497141  0.690644  0.039533  1
  P  P259  1  0.497078  0.690663  0.539489  1
  P  P260  1  0.830398  0.190709  0.039467  1
  P  P261  1  0.830455  0.190641  0.539433  1
  P  P262  1  0.830465  0.690653  0.039504  1
  P  P263  1  0.830491  0.690678  0.539529  1
  P  P264  1  0.080730  0.123933  0.172838  1
  P  P265  1  0.079309  0.123744  0.673191  1
  P  P266  1  0.079358  0.623758  0.173245  1
  P  P267  1  0.079418  0.623733  0.673302  1
  P  P268  1  0.412139  0.123843  0.172348  1
  P  P269  1  0.412927  0.123673  0.673353  1
  P  P270  1  0.412701  0.623685  0.173284  1
  P  P271  1  0.412664  0.623687  0.673258  1
  P  P272  1  0.746156  0.123696  0.173288  1
  P  P273  1  0.746136  0.123675  0.673201  1
  P  P274  1  0.746034  0.623704  0.173267  1
  P  P275  1  0.746030  0.623722  0.673249  1
  P  P276  1  0.245960  0.126120  0.427080  1
  P  P277  1  0.245993  0.126307  0.922168  1
  P  P278  1  0.246029  0.626133  0.423196  1
  P  P279  1  0.246046  0.626159  0.923347  1
  P  P280  1  0.579322  0.126131  0.423145  1
  P  P281  1  0.579559  0.126139  0.923158  1
  P  P282  1  0.579333  0.626132  0.423274  1
  P  P283  1  0.579352  0.626146  0.923251  1
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  P  P479  1  0.746089  0.876149  0.923281  1
