# generated using pymatgen
data_Fe96P383
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.30711032
_cell_length_b   27.07403615
_cell_length_c   18.90271439
_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   10391.1504561
_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  0.159730  0.185910  0.162602  1
  Fe  Fe2  1  0.159665  0.185954  0.662653  1
  Fe  Fe3  1  0.159265  0.685857  0.162926  1
  Fe  Fe4  1  0.159437  0.685776  0.662667  1
  Fe  Fe5  1  0.493142  0.185554  0.162612  1
  Fe  Fe6  1  0.492969  0.185885  0.662504  1
  Fe  Fe7  1  0.492566  0.685738  0.162724  1
  Fe  Fe8  1  0.492595  0.685666  0.662605  1
  Fe  Fe9  1  0.826329  0.185880  0.162675  1
  Fe  Fe10  1  0.826347  0.185936  0.662619  1
  Fe  Fe11  1  0.825887  0.685896  0.162701  1
  Fe  Fe12  1  0.825997  0.685780  0.662740  1
  Fe  Fe13  1  0.326224  0.063689  0.412693  1
  Fe  Fe14  1  0.326228  0.063610  0.912613  1
  Fe  Fe15  1  0.326304  0.563592  0.410685  1
  Fe  Fe16  1  0.325873  0.563643  0.914001  1
  Fe  Fe17  1  0.659588  0.063637  0.412725  1
  Fe  Fe18  1  0.659602  0.063625  0.912582  1
  Fe  Fe19  1  0.659081  0.563530  0.412444  1
  Fe  Fe20  1  0.659400  0.563599  0.912732  1
  Fe  Fe21  1  0.992922  0.063753  0.412691  1
  Fe  Fe22  1  0.992925  0.063717  0.912656  1
  Fe  Fe23  1  0.992698  0.563739  0.412637  1
  Fe  Fe24  1  0.992973  0.563600  0.912957  1
  Fe  Fe25  1  0.083792  0.128478  0.049495  1
  Fe  Fe26  1  0.083795  0.128577  0.549468  1
  Fe  Fe27  1  0.083873  0.628182  0.049716  1
  Fe  Fe28  1  0.083473  0.628494  0.549612  1
  Fe  Fe29  1  0.417217  0.128163  0.049336  1
  Fe  Fe30  1  0.417057  0.128491  0.549476  1
  Fe  Fe31  1  0.416247  0.627917  0.050172  1
  Fe  Fe32  1  0.416851  0.628418  0.548866  1
  Fe  Fe33  1  0.750452  0.128458  0.049465  1
  Fe  Fe34  1  0.750441  0.128487  0.549514  1
  Fe  Fe35  1  0.750124  0.628419  0.049511  1
  Fe  Fe36  1  0.750139  0.628352  0.549556  1
  Fe  Fe37  1  0.250399  0.121065  0.299494  1
  Fe  Fe38  1  0.250407  0.121050  0.799419  1
  Fe  Fe39  1  0.249968  0.623123  0.301920  1
  Fe  Fe40  1  0.250366  0.620949  0.799506  1
  Fe  Fe41  1  0.583826  0.120961  0.299498  1
  Fe  Fe42  1  0.583801  0.121009  0.799390  1
  Fe  Fe43  1  0.583182  0.620870  0.299357  1
  Fe  Fe44  1  0.583482  0.620939  0.799532  1
  Fe  Fe45  1  0.917097  0.121097  0.299492  1
  Fe  Fe46  1  0.917139  0.121126  0.799473  1
  Fe  Fe47  1  0.916722  0.621104  0.299568  1
  Fe  Fe48  1  0.917009  0.621015  0.799694  1
  Fe  Fe49  1  0.330226  0.432807  0.162173  1
  Fe  Fe50  1  0.326226  0.435909  0.662566  1
  Fe  Fe51  1  0.326146  0.935800  0.162690  1
  Fe  Fe52  1  0.326169  0.935793  0.662658  1
  Fe  Fe53  1  0.659766  0.435843  0.162616  1
  Fe  Fe54  1  0.659432  0.435867  0.662617  1
  Fe  Fe55  1  0.659512  0.935806  0.162660  1
  Fe  Fe56  1  0.659468  0.935785  0.662667  1
  Fe  Fe57  1  0.993658  0.436221  0.162679  1
  Fe  Fe58  1  0.992932  0.435896  0.662919  1
  Fe  Fe59  1  0.992793  0.935901  0.162666  1
  Fe  Fe60  1  0.992836  0.935885  0.662700  1
  Fe  Fe61  1  0.159782  0.313928  0.412438  1
  Fe  Fe62  1  0.159886  0.313769  0.912877  1
  Fe  Fe63  1  0.159384  0.813756  0.412792  1
  Fe  Fe64  1  0.159482  0.813588  0.912705  1
  Fe  Fe65  1  0.492759  0.313738  0.412288  1
  Fe  Fe66  1  0.492981  0.313610  0.912475  1
  Fe  Fe67  1  0.492737  0.813616  0.412692  1
  Fe  Fe68  1  0.492709  0.813521  0.912702  1
  Fe  Fe69  1  0.826363  0.313731  0.412711  1
  Fe  Fe70  1  0.826516  0.313748  0.912671  1
  Fe  Fe71  1  0.826014  0.813691  0.412786  1
  Fe  Fe72  1  0.826078  0.813642  0.912647  1
  Fe  Fe73  1  0.251243  0.376165  0.047971  1
  Fe  Fe74  1  0.250533  0.378594  0.549162  1
  Fe  Fe75  1  0.250292  0.878421  0.049492  1
  Fe  Fe76  1  0.250286  0.878467  0.549541  1
  Fe  Fe77  1  0.583922  0.378377  0.049515  1
  Fe  Fe78  1  0.583717  0.378492  0.549305  1
  Fe  Fe79  1  0.583619  0.878382  0.049482  1
  Fe  Fe80  1  0.583577  0.878356  0.549537  1
  Fe  Fe81  1  0.917409  0.378665  0.049591  1
  Fe  Fe82  1  0.917180  0.378558  0.549503  1
  Fe  Fe83  1  0.916937  0.878487  0.049472  1
  Fe  Fe84  1  0.916918  0.878471  0.549584  1
  Fe  Fe85  1  0.084182  0.371498  0.299318  1
  Fe  Fe86  1  0.083904  0.371118  0.799867  1
  Fe  Fe87  1  0.083551  0.871164  0.299528  1
  Fe  Fe88  1  0.083633  0.871018  0.799551  1
  Fe  Fe89  1  0.416471  0.371496  0.298317  1
  Fe  Fe90  1  0.417090  0.371051  0.799779  1
  Fe  Fe91  1  0.416952  0.871054  0.299504  1
  Fe  Fe92  1  0.416916  0.870892  0.799520  1
  Fe  Fe93  1  0.750525  0.371031  0.299438  1
  Fe  Fe94  1  0.750607  0.371135  0.799540  1
  Fe  Fe95  1  0.750292  0.871019  0.299501  1
  Fe  Fe96  1  0.750246  0.871009  0.799507  1
  P  P97  1  0.331435  0.186349  0.044607  1
  P  P98  1  0.331344  0.186772  0.544671  1
  P  P99  1  0.330777  0.686305  0.045332  1
  P  P100  1  0.331137  0.686597  0.544317  1
  P  P101  1  0.664701  0.186638  0.044693  1
  P  P102  1  0.664701  0.186689  0.544761  1
  P  P103  1  0.664322  0.686616  0.044756  1
  P  P104  1  0.664332  0.686547  0.544786  1
  P  P105  1  0.998049  0.186712  0.044739  1
  P  P106  1  0.998093  0.186808  0.544696  1
  P  P107  1  0.997772  0.686661  0.044689  1
  P  P108  1  0.997667  0.686680  0.544891  1
  P  P109  1  0.164638  0.062924  0.294767  1
  P  P110  1  0.164626  0.062886  0.794712  1
  P  P111  1  0.164009  0.563400  0.294761  1
  P  P112  1  0.164626  0.562843  0.794707  1
  P  P113  1  0.498011  0.062762  0.294818  1
  P  P114  1  0.498004  0.062765  0.794629  1
  P  P115  1  0.497091  0.562684  0.294367  1
  P  P116  1  0.497628  0.562756  0.795011  1
  P  P117  1  0.831324  0.062869  0.294772  1
  P  P118  1  0.831334  0.062883  0.794721  1
  P  P119  1  0.831043  0.562855  0.294750  1
  P  P120  1  0.831234  0.562800  0.794931  1
  P  P121  1  0.331059  0.062259  0.044334  1
  P  P122  1  0.331036  0.062440  0.544411  1
  P  P123  1  0.330112  0.561965  0.045880  1
  P  P124  1  0.330957  0.562350  0.543489  1
  P  P125  1  0.664435  0.062371  0.044322  1
  P  P126  1  0.664428  0.062382  0.544438  1
  P  P127  1  0.664138  0.562349  0.044473  1
  P  P128  1  0.664036  0.562337  0.544252  1
  P  P129  1  0.997739  0.062451  0.044386  1
  P  P130  1  0.997757  0.062506  0.544417  1
  P  P131  1  0.997752  0.562412  0.044741  1
  P  P132  1  0.997442  0.562440  0.544411  1
  P  P133  1  0.330463  0.059010  0.289800  1
  P  P134  1  0.330458  0.058992  0.789693  1
  P  P135  1  0.327137  0.557767  0.286895  1
  P  P136  1  0.330410  0.559044  0.790161  1
  P  P137  1  0.663854  0.058972  0.289812  1
  P  P138  1  0.663839  0.059008  0.789678  1
  P  P139  1  0.663427  0.558983  0.289658  1
  P  P140  1  0.663521  0.558946  0.789860  1
  P  P141  1  0.997146  0.059087  0.289776  1
  P  P142  1  0.997159  0.059098  0.789753  1
  P  P143  1  0.996885  0.559139  0.289779  1
  P  P144  1  0.997174  0.558998  0.790076  1
  P  P145  1  0.161767  0.063850  0.042982  1
  P  P146  1  0.161740  0.063922  0.543007  1
  P  P147  1  0.161971  0.563753  0.044153  1
  P  P148  1  0.161360  0.563844  0.543096  1
  P  P149  1  0.495147  0.063655  0.042904  1
  P  P150  1  0.495042  0.063813  0.543017  1
  P  P151  1  0.494464  0.563649  0.043504  1
  P  P152  1  0.494706  0.563637  0.542408  1
  P  P153  1  0.828428  0.063851  0.042986  1
  P  P154  1  0.828441  0.063851  0.543040  1
  P  P155  1  0.828243  0.563849  0.043061  1
  P  P156  1  0.828150  0.563793  0.543099  1
  P  P157  1  0.079674  0.001709  0.417770  1
  P  P158  1  0.079697  0.001670  0.917713  1
  P  P159  1  0.079615  0.501767  0.417609  1
  P  P160  1  0.080254  0.501778  0.918459  1
  P  P161  1  0.413002  0.001609  0.417776  1
  P  P162  1  0.413016  0.001525  0.917646  1
  P  P163  1  0.412312  0.501437  0.416217  1
  P  P164  1  0.412604  0.501579  0.918502  1
  P  P165  1  0.746366  0.001600  0.417778  1
  P  P166  1  0.746372  0.001617  0.917675  1
  P  P167  1  0.746172  0.501653  0.417675  1
  P  P168  1  0.746356  0.501648  0.917796  1
  P  P169  1  0.080660  0.498143  0.168138  1
  P  P170  1  0.079671  0.497954  0.667723  1
  P  P171  1  0.079660  0.997925  0.167711  1
  P  P172  1  0.079671  0.997932  0.667742  1
  P  P173  1  0.412783  0.497271  0.167771  1
  P  P174  1  0.412941  0.497973  0.667595  1
  P  P175  1  0.413018  0.997775  0.167733  1
  P  P176  1  0.412990  0.997814  0.667709  1
  P  P177  1  0.746459  0.497897  0.167709  1
  P  P178  1  0.746240  0.497882  0.667759  1
  P  P179  1  0.746326  0.997860  0.167715  1
  P  P180  1  0.746337  0.997837  0.667735  1
  P  P181  1  0.164511  0.187259  0.294319  1
  P  P182  1  0.164469  0.187204  0.794417  1
  P  P183  1  0.163517  0.687625  0.294747  1
  P  P184  1  0.164311  0.687000  0.794437  1
  P  P185  1  0.497836  0.186961  0.294432  1
  P  P186  1  0.497812  0.187056  0.794218  1
  P  P187  1  0.497631  0.687178  0.294405  1
  P  P188  1  0.497313  0.686867  0.794468  1
  P  P189  1  0.831097  0.187143  0.294419  1
  P  P190  1  0.831128  0.187147  0.794338  1
  P  P191  1  0.830653  0.687127  0.294464  1
  P  P192  1  0.830845  0.687029  0.794483  1
  P  P193  1  0.245960  0.124344  0.166730  1
  P  P194  1  0.245919  0.124401  0.666690  1
  P  P195  1  0.244974  0.624213  0.167779  1
  P  P196  1  0.245827  0.624273  0.666559  1
  P  P197  1  0.579355  0.124173  0.166723  1
  P  P198  1  0.579257  0.124333  0.666638  1
  P  P199  1  0.578883  0.624249  0.166744  1
  P  P200  1  0.578804  0.624121  0.666694  1
  P  P201  1  0.912617  0.124375  0.166738  1
  P  P202  1  0.912650  0.124413  0.666724  1
  P  P203  1  0.912110  0.624391  0.166808  1
  P  P204  1  0.912331  0.624274  0.666910  1
  P  P205  1  0.245814  0.498943  0.668001  1
  P  P206  1  0.245640  0.998836  0.168202  1
  P  P207  1  0.245632  0.998833  0.668214  1
  P  P208  1  0.578970  0.498705  0.168188  1
  P  P209  1  0.578767  0.498780  0.668141  1
  P  P210  1  0.578973  0.998765  0.168206  1
  P  P211  1  0.578954  0.998776  0.668186  1
  P  P212  1  0.912628  0.498908  0.168229  1
  P  P213  1  0.912351  0.498842  0.668361  1
  P  P214  1  0.912282  0.998873  0.168196  1
  P  P215  1  0.912306  0.998881  0.668238  1
  P  P216  1  0.328439  0.185655  0.292924  1
  P  P217  1  0.328412  0.185685  0.792959  1
  P  P218  1  0.328198  0.685752  0.293031  1
  P  P219  1  0.328270  0.685478  0.793162  1
  P  P220  1  0.661810  0.185621  0.293059  1
  P  P221  1  0.661834  0.185668  0.792855  1
  P  P222  1  0.661454  0.685622  0.292983  1
  P  P223  1  0.661363  0.685570  0.793072  1
  P  P224  1  0.995100  0.185748  0.293030  1
  P  P225  1  0.995168  0.185782  0.793037  1
  P  P226  1  0.994492  0.685873  0.293286  1
  P  P227  1  0.994961  0.685618  0.793189  1
  P  P228  1  0.245629  0.000729  0.418249  1
  P  P229  1  0.245651  0.000631  0.918130  1
  P  P230  1  0.245338  0.500785  0.418266  1
  P  P231  1  0.245635  0.500607  0.918057  1
  P  P232  1  0.579000  0.000631  0.418279  1
  P  P233  1  0.579007  0.000604  0.918091  1
  P  P234  1  0.578585  0.500558  0.417773  1
  P  P235  1  0.578802  0.500613  0.918452  1
  P  P236  1  0.912326  0.000731  0.418240  1
  P  P237  1  0.912332  0.000716  0.918167  1
  P  P238  1  0.912222  0.500703  0.418200  1
  P  P239  1  0.912578  0.500634  0.918521  1
  P  P240  1  0.079264  0.125299  0.416712  1
  P  P241  1  0.079250  0.125251  0.916731  1
  P  P242  1  0.078840  0.625347  0.416874  1
  P  P243  1  0.079250  0.625097  0.917047  1
  P  P244  1  0.412564  0.125188  0.416742  1
  P  P245  1  0.412635  0.125031  0.916566  1
  P  P246  1  0.412197  0.624824  0.415848  1
  P  P247  1  0.412095  0.625010  0.917401  1
  P  P248  1  0.745934  0.125171  0.416789  1
  P  P249  1  0.745918  0.125194  0.916689  1
  P  P250  1  0.745492  0.625120  0.416753  1
  P  P251  1  0.745613  0.625163  0.916786  1
  P  P252  1  0.163904  0.190472  0.039732  1
  P  P253  1  0.163864  0.190635  0.539692  1
  P  P254  1  0.163565  0.690425  0.040064  1
  P  P255  1  0.163552  0.690528  0.539744  1
  P  P256  1  0.497249  0.190231  0.039640  1
  P  P257  1  0.497108  0.190545  0.539669  1
  P  P258  1  0.496633  0.690273  0.040004  1
  P  P259  1  0.496861  0.690281  0.539534  1
  P  P260  1  0.830518  0.190520  0.039777  1
  P  P261  1  0.830575  0.190532  0.539786  1
  P  P262  1  0.830196  0.690480  0.039751  1
  P  P263  1  0.830151  0.690431  0.539887  1
  P  P264  1  0.079467  0.123594  0.173602  1
  P  P265  1  0.079457  0.123662  0.673587  1
  P  P266  1  0.078468  0.624010  0.173805  1
  P  P267  1  0.079183  0.623552  0.673667  1
  P  P268  1  0.412840  0.123311  0.173557  1
  P  P269  1  0.412743  0.123561  0.673545  1
  P  P270  1  0.412306  0.623500  0.174280  1
  P  P271  1  0.412441  0.623373  0.673188  1
  P  P272  1  0.746132  0.123545  0.173580  1
  P  P273  1  0.746157  0.123561  0.673558  1
  P  P274  1  0.745723  0.623550  0.173602  1
  P  P275  1  0.745747  0.623465  0.673680  1
  P  P276  1  0.246090  0.126068  0.423582  1
  P  P277  1  0.246085  0.125940  0.923498  1
  P  P278  1  0.245670  0.625901  0.423910  1
  P  P279  1  0.245788  0.625745  0.923955  1
  P  P280  1  0.579437  0.125931  0.423670  1
  P  P281  1  0.579453  0.125887  0.923460  1
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  P  P479  1  0.745914  0.875951  0.923580  1
