# generated using pymatgen
data_Fe72P287
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.43408485
_cell_length_b   19.44232112
_cell_length_c   20.33780145
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe72P287
_chemical_formula_sum   'Fe72 P287'
_cell_volume   8079.92458893
_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  1.000315  0.060829  0.083003  1
  Fe  Fe2  1  0.000454  0.060972  0.416190  1
  Fe  Fe3  1  0.000454  0.060972  0.749815  1
  Fe  Fe4  1  0.001730  0.560144  0.083003  1
  Fe  Fe5  1  0.000461  0.560914  0.416362  1
  Fe  Fe6  1  0.000461  0.560914  0.749643  1
  Fe  Fe7  1  0.333743  0.060860  0.083003  1
  Fe  Fe8  1  0.333748  0.060904  0.416215  1
  Fe  Fe9  1  0.333748  0.060904  0.749791  1
  Fe  Fe10  1  0.325445  0.555461  0.083003  1
  Fe  Fe11  1  0.333771  0.560923  0.416145  1
  Fe  Fe12  1  0.333771  0.560923  0.749860  1
  Fe  Fe13  1  0.666919  0.061008  0.083003  1
  Fe  Fe14  1  0.667065  0.060917  0.416203  1
  Fe  Fe15  1  0.667065  0.060917  0.749802  1
  Fe  Fe16  1  0.666818  0.560669  0.083003  1
  Fe  Fe17  1  0.667117  0.560918  0.416360  1
  Fe  Fe18  1  0.667117  0.560918  0.749645  1
  Fe  Fe19  1  0.167139  0.189513  0.249426  1
  Fe  Fe20  1  0.167054  0.189251  0.583003  1
  Fe  Fe21  1  0.167139  0.189513  0.916579  1
  Fe  Fe22  1  0.167149  0.689323  0.249884  1
  Fe  Fe23  1  0.167105  0.689369  0.583003  1
  Fe  Fe24  1  0.167149  0.689323  0.916121  1
  Fe  Fe25  1  0.500243  0.189570  0.249608  1
  Fe  Fe26  1  0.500475  0.189223  0.583003  1
  Fe  Fe27  1  0.500243  0.189570  0.916397  1
  Fe  Fe28  1  0.500296  0.689130  0.249499  1
  Fe  Fe29  1  0.500425  0.689397  0.583003  1
  Fe  Fe30  1  0.500296  0.689130  0.916506  1
  Fe  Fe31  1  0.833859  0.189554  0.249609  1
  Fe  Fe32  1  0.833770  0.189293  0.583003  1
  Fe  Fe33  1  0.833859  0.189554  0.916397  1
  Fe  Fe34  1  0.833742  0.689259  0.249572  1
  Fe  Fe35  1  0.833770  0.689371  0.583003  1
  Fe  Fe36  1  0.833742  0.689259  0.916433  1
  Fe  Fe37  1  0.166733  0.309974  0.083003  1
  Fe  Fe38  1  0.167075  0.311026  0.416149  1
  Fe  Fe39  1  0.167075  0.311026  0.749857  1
  Fe  Fe40  1  0.167059  0.810844  0.083003  1
  Fe  Fe41  1  0.167149  0.810841  0.416287  1
  Fe  Fe42  1  0.167149  0.810841  0.749718  1
  Fe  Fe43  1  0.499872  0.311493  0.083003  1
  Fe  Fe44  1  0.500463  0.310830  0.416397  1
  Fe  Fe45  1  0.500463  0.310830  0.749608  1
  Fe  Fe46  1  0.499943  0.810443  0.083003  1
  Fe  Fe47  1  0.500364  0.810872  0.416261  1
  Fe  Fe48  1  0.500364  0.810872  0.749744  1
  Fe  Fe49  1  0.833839  0.311105  0.083003  1
  Fe  Fe50  1  0.833772  0.310910  0.416296  1
  Fe  Fe51  1  0.833772  0.310910  0.749709  1
  Fe  Fe52  1  0.833733  0.810720  0.083003  1
  Fe  Fe53  1  0.833765  0.810938  0.416294  1
  Fe  Fe54  1  0.833765  0.810938  0.749711  1
  Fe  Fe55  1  0.000632  0.439413  0.249482  1
  Fe  Fe56  1  0.000433  0.439306  0.583003  1
  Fe  Fe57  1  0.000632  0.439413  0.916523  1
  Fe  Fe58  1  1.000367  0.939325  0.249633  1
  Fe  Fe59  1  0.000436  0.939345  0.583003  1
  Fe  Fe60  1  1.000367  0.939325  0.916372  1
  Fe  Fe61  1  0.334194  0.438976  0.251215  1
  Fe  Fe62  1  0.333776  0.439416  0.583003  1
  Fe  Fe63  1  0.334194  0.438976  0.914790  1
  Fe  Fe64  1  0.333768  0.939281  0.249605  1
  Fe  Fe65  1  0.333738  0.939286  0.583003  1
  Fe  Fe66  1  0.333768  0.939281  0.916400  1
  Fe  Fe67  1  0.667065  0.439382  0.249645  1
  Fe  Fe68  1  0.667104  0.439332  0.583003  1
  Fe  Fe69  1  0.667065  0.439382  0.916360  1
  Fe  Fe70  1  0.667001  0.939339  0.249557  1
  Fe  Fe71  1  0.667114  0.939314  0.583003  1
  Fe  Fe72  1  0.667001  0.939339  0.916448  1
  P  P73  1  0.168795  0.378281  0.168645  1
  P  P74  1  0.167126  0.376383  0.503669  1
  P  P75  1  0.167107  0.376405  0.837510  1
  P  P76  1  0.167081  0.876364  0.170396  1
  P  P77  1  0.167101  0.876430  0.503671  1
  P  P78  1  0.167154  0.876337  0.837128  1
  P  P79  1  0.499736  0.377214  0.170198  1
  P  P80  1  0.500431  0.376402  0.503757  1
  P  P81  1  0.500549  0.376437  0.836962  1
  P  P82  1  0.500289  0.876211  0.170264  1
  P  P83  1  0.500412  0.876431  0.503659  1
  P  P84  1  0.500334  0.876297  0.837217  1
  P  P85  1  0.833981  0.376684  0.170343  1
  P  P86  1  0.833766  0.376430  0.503711  1
  P  P87  1  0.833792  0.376489  0.837075  1
  P  P88  1  0.833656  0.876384  0.170324  1
  P  P89  1  0.833776  0.876496  0.503685  1
  P  P90  1  0.833726  0.876444  0.837130  1
  P  P91  1  0.248273  0.494047  0.416440  1
  P  P92  1  0.248273  0.494047  0.749565  1
  P  P93  1  0.248244  0.994010  0.083003  1
  P  P94  1  0.248260  0.994061  0.416264  1
  P  P95  1  0.248260  0.994061  0.749742  1
  P  P96  1  0.580892  0.494323  0.083003  1
  P  P97  1  0.581635  0.494066  0.416387  1
  P  P98  1  0.581635  0.494066  0.749618  1
  P  P99  1  0.581471  0.994048  0.083003  1
  P  P100  1  0.581585  0.994038  0.416221  1
  P  P101  1  0.581585  0.994038  0.749784  1
  P  P102  1  0.915582  0.494222  0.083003  1
  P  P103  1  0.914966  0.494077  0.416332  1
  P  P104  1  0.914966  0.494077  0.749673  1
  P  P105  1  0.914787  0.994046  0.083003  1
  P  P106  1  0.914965  0.994113  0.416281  1
  P  P107  1  0.914965  0.994113  0.749725  1
  P  P108  1  0.167064  0.123606  0.003727  1
  P  P109  1  0.167086  0.123917  0.336831  1
  P  P110  1  0.167054  0.123780  0.670460  1
  P  P111  1  0.166895  0.623924  0.003374  1
  P  P112  1  0.167156  0.623662  0.337167  1
  P  P113  1  0.167092  0.623793  0.670363  1
  P  P114  1  0.500255  0.124043  0.003800  1
  P  P115  1  0.500404  0.123858  0.336903  1
  P  P116  1  0.500460  0.123688  0.670418  1
  P  P117  1  0.499873  0.623428  0.003806  1
  P  P118  1  0.500455  0.623790  0.337062  1
  P  P119  1  0.500461  0.623838  0.670374  1
  P  P120  1  0.833679  0.123941  0.003753  1
  P  P121  1  0.833778  0.123872  0.336925  1
  P  P122  1  0.833769  0.123785  0.670433  1
  P  P123  1  0.833873  0.623600  0.003766  1
  P  P124  1  0.833777  0.623791  0.337032  1
  P  P125  1  0.833775  0.623809  0.670384  1
  P  P126  1  0.248278  0.006134  0.249660  1
  P  P127  1  0.248256  0.006147  0.583003  1
  P  P128  1  0.248278  0.006134  0.916345  1
  P  P129  1  0.248380  0.505709  0.249746  1
  P  P130  1  0.248265  0.506205  0.583003  1
  P  P131  1  0.248380  0.505709  0.916260  1
  P  P132  1  0.581512  0.006207  0.249542  1
  P  P133  1  0.581613  0.006122  0.583003  1
  P  P134  1  0.581512  0.006207  0.916464  1
  P  P135  1  0.581588  0.506206  0.249769  1
  P  P136  1  0.581612  0.506181  0.583003  1
  P  P137  1  0.581588  0.506206  0.916236  1
  P  P138  1  0.914878  0.006189  0.249640  1
  P  P139  1  0.914969  0.006214  0.583003  1
  P  P140  1  0.914878  0.006189  0.916365  1
  P  P141  1  0.915043  0.506148  0.249702  1
  P  P142  1  0.914948  0.506162  0.583003  1
  P  P143  1  0.915043  0.506148  0.916303  1
  P  P144  1  0.167064  0.123606  0.162278  1
  P  P145  1  0.167054  0.123780  0.495546  1
  P  P146  1  0.167086  0.123917  0.829174  1
  P  P147  1  0.166895  0.623924  0.162631  1
  P  P148  1  0.167092  0.623793  0.495643  1
  P  P149  1  0.167156  0.623662  0.828839  1
  P  P150  1  0.500255  0.124043  0.162205  1
  P  P151  1  0.500460  0.123688  0.495587  1
  P  P152  1  0.500404  0.123858  0.829102  1
  P  P153  1  0.499873  0.623428  0.162199  1
  P  P154  1  0.500461  0.623838  0.495631  1
  P  P155  1  0.500455  0.623790  0.828943  1
  P  P156  1  0.833679  0.123941  0.162252  1
  P  P157  1  0.833769  0.123785  0.495572  1
  P  P158  1  0.833778  0.123872  0.829080  1
  P  P159  1  0.833873  0.623600  0.162239  1
  P  P160  1  0.833775  0.623809  0.495622  1
  P  P161  1  0.833777  0.623791  0.828973  1
  P  P162  1  0.167107  0.376405  0.328495  1
  P  P163  1  0.167126  0.376383  0.662336  1
  P  P164  1  0.168795  0.378281  0.997360  1
  P  P165  1  0.167154  0.876337  0.328877  1
  P  P166  1  0.167101  0.876430  0.662334  1
  P  P167  1  0.167081  0.876364  0.995609  1
  P  P168  1  0.500549  0.376437  0.329043  1
  P  P169  1  0.500431  0.376402  0.662248  1
  P  P170  1  0.499736  0.377214  0.995807  1
  P  P171  1  0.500334  0.876297  0.328789  1
  P  P172  1  0.500412  0.876431  0.662346  1
  P  P173  1  0.500289  0.876211  0.995742  1
  P  P174  1  0.833792  0.376489  0.328930  1
  P  P175  1  0.833766  0.376430  0.662294  1
  P  P176  1  0.833981  0.376684  0.995662  1
  P  P177  1  0.833726  0.876444  0.328875  1
  P  P178  1  0.833776  0.876496  0.662320  1
  P  P179  1  0.833656  0.876384  0.995681  1
  P  P180  1  0.085905  0.006106  0.249657  1
  P  P181  1  0.085917  0.006184  0.583003  1
  P  P182  1  0.085905  0.006106  0.916349  1
  P  P183  1  0.086013  0.506232  0.249996  1
  P  P184  1  0.085936  0.506131  0.583003  1
  P  P185  1  0.086013  0.506232  0.916010  1
  P  P186  1  0.419238  0.006169  0.249604  1
  P  P187  1  0.419233  0.006122  0.583003  1
  P  P188  1  0.419238  0.006169  0.916401  1
  P  P189  1  0.419274  0.506205  0.249771  1
  P  P190  1  0.419269  0.506244  0.583003  1
  P  P191  1  0.419274  0.506205  0.916234  1
  P  P192  1  0.752477  0.006239  0.249560  1
  P  P193  1  0.752593  0.006173  0.583003  1
  P  P194  1  0.752477  0.006239  0.916445  1
  P  P195  1  0.752586  0.506176  0.249686  1
  P  P196  1  0.752592  0.506179  0.583003  1
  P  P197  1  0.752586  0.506176  0.916319  1
  P  P198  1  0.088978  0.495374  0.083003  1
  P  P199  1  0.085922  0.494000  0.416385  1
  P  P200  1  0.085922  0.494000  0.749620  1
  P  P201  1  0.085825  0.993992  0.083003  1
  P  P202  1  0.085925  0.994077  0.416265  1
  P  P203  1  0.085925  0.994077  0.749740  1
  P  P204  1  0.416483  0.495780  0.083003  1
  P  P205  1  0.419315  0.494124  0.416536  1
  P  P206  1  0.419315  0.494124  0.749469  1
  P  P207  1  0.419245  0.994035  0.083003  1
  P  P208  1  0.419229  0.994043  0.416243  1
  P  P209  1  0.419229  0.994043  0.749762  1
  P  P210  1  0.752554  0.494129  0.083003  1
  P  P211  1  0.752604  0.494074  0.416348  1
  P  P212  1  0.752604  0.494074  0.749657  1
  P  P213  1  0.752401  0.994102  0.083003  1
  P  P214  1  0.752569  0.994090  0.416242  1
  P  P215  1  0.752569  0.994090  0.749763  1
  P  P216  1  1.000383  0.126400  0.170400  1
  P  P217  1  0.000442  0.126456  0.503650  1
  P  P218  1  0.000529  0.126607  0.837179  1
  P  P219  1  0.000504  0.626189  0.170190  1
  P  P220  1  0.000435  0.626467  0.503737  1
  P  P221  1  0.000433  0.626467  0.837059  1
  P  P222  1  0.333739  0.126429  0.170372  1
  P  P223  1  0.333743  0.126361  0.503686  1
  P  P224  1  0.333717  0.126562  0.837134  1
  P  P225  1  0.333656  0.624761  0.168615  1
  P  P226  1  0.333763  0.626416  0.503617  1
  P  P227  1  0.333715  0.626276  0.837526  1
  P  P228  1  0.666938  0.126698  0.170290  1
  P  P229  1  0.667113  0.126383  0.503669  1
  P  P230  1  0.667053  0.126532  0.837178  1
  P  P231  1  0.666960  0.626340  0.170330  1
  P  P232  1  0.667107  0.626494  0.503728  1
  P  P233  1  0.667106  0.626459  0.837043  1
  P  P234  1  0.081250  0.243700  0.083003  1
  P  P235  1  0.081616  0.244145  0.416166  1
  P  P236  1  0.081616  0.244145  0.749839  1
  P  P237  1  0.081593  0.743968  0.083003  1
  P  P238  1  0.081610  0.744067  0.416350  1
  P  P239  1  0.081610  0.744067  0.749655  1
  P  P240  1  0.414423  0.244646  0.083003  1
  P  P241  1  0.415024  0.243895  0.416405  1
  P  P242  1  0.415024  0.243895  0.749601  1
  P  P243  1  0.414451  0.743356  0.083003  1
  P  P244  1  0.414906  0.743978  0.416200  1
  P  P245  1  0.414906  0.743978  0.749805  1
  P  P246  1  0.748215  0.244363  0.083003  1
  P  P247  1  0.748290  0.244057  0.416309  1
  P  P248  1  0.748290  0.244057  0.749696  1
  P  P249  1  0.748196  0.743905  0.083003  1
  P  P250  1  0.748282  0.744088  0.416312  1
  P  P251  1  0.748282  0.744088  0.749693  1
  P  P252  1  0.001317  0.374277  0.004045  1
  P  P253  1  1.000394  0.373881  0.336952  1
  P  P254  1  0.000423  0.373753  0.670397  1
  P  P255  1  1.000355  0.873727  0.003730  1
  P  P256  1  0.000436  0.873758  0.337010  1
  P  P257  1  0.000441  0.873827  0.670416  1
  P  P258  1  0.332760  0.375101  0.003634  1
  P  P259  1  0.333808  0.373149  0.337918  1
  P  P260  1  0.333784  0.373702  0.670214  1
  P  P261  1  0.333708  0.873723  0.003775  1
  P  P262  1  0.333754  0.873666  0.336937  1
  P  P263  1  0.333757  0.873785  0.670441  1
  P  P264  1  0.666869  0.373966  0.003790  1
  P  P265  1  0.667137  0.373813  0.337044  1
  P  P266  1  0.667104  0.373760  0.670379  1
  P  P267  1  0.666924  0.873664  0.003768  1
  P  P268  1  0.667043  0.873762  0.336936  1
  P  P269  1  0.667094  0.873822  0.670440  1
  P  P270  1  0.081993  0.256780  0.249188  1
  P  P271  1  0.081621  0.256163  0.583003  1
  P  P272  1  0.081993  0.256780  0.916818  1
  P  P273  1  0.081597  0.756095  0.249655  1
  P  P274  1  0.081609  0.756206  0.583003  1
  P  P275  1  0.081597  0.756095  0.916350  1
  P  P276  1  0.414779  0.256477  0.249456  1
  P  P277  1  0.414962  0.256036  0.583003  1
  P  P278  1  0.414779  0.256477  0.916550  1
  P  P279  1  0.414671  0.755728  0.249410  1
  P  P280  1  0.414906  0.756173  0.583003  1
  P  P281  1  0.414671  0.755728  0.916595  1
  P  P282  1  0.748289  0.256315  0.249583  1
  P  P283  1  0.748279  0.256132  0.583003  1
  P  P284  1  0.748289  0.256315  0.916422  1
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