# generated using pymatgen
data_Fe89P180
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.25519772
_cell_length_b   17.00685740
_cell_length_c   17.78844122
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe89P180
_chemical_formula_sum   'Fe89 P180'
_cell_volume   4917.61154323
_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  0.978959  1.000325  0.339013  1
  Fe  Fe2  1  0.978959  0.004671  0.666939  1
  Fe  Fe3  1  0.978860  0.336499  0.999725  1
  Fe  Fe4  1  0.990926  0.335208  0.335484  1
  Fe  Fe5  1  0.978688  0.336473  0.667390  1
  Fe  Fe6  1  0.978860  0.668498  0.006227  1
  Fe  Fe7  1  0.978688  0.668524  0.338563  1
  Fe  Fe8  1  0.990926  0.669788  0.670469  1
  Fe  Fe9  1  0.201618  0.002498  0.002976  1
  Fe  Fe10  1  0.201812  0.004118  0.334475  1
  Fe  Fe11  1  0.201812  1.000878  0.671478  1
  Fe  Fe12  1  0.201681  0.334779  0.006012  1
  Fe  Fe13  1  0.177027  0.336137  0.336012  1
  Fe  Fe14  1  0.201708  0.333841  0.672885  1
  Fe  Fe15  1  0.201681  0.670217  0.999941  1
  Fe  Fe16  1  0.201708  0.671155  0.333067  1
  Fe  Fe17  1  0.177027  0.668860  0.669941  1
  Fe  Fe18  1  0.383268  0.002498  0.002976  1
  Fe  Fe19  1  0.383502  1.000918  0.337996  1
  Fe  Fe20  1  0.383502  0.004078  0.667956  1
  Fe  Fe21  1  0.383197  0.336691  1.001058  1
  Fe  Fe22  1  0.400596  0.336157  0.336392  1
  Fe  Fe23  1  0.383538  0.336656  0.667993  1
  Fe  Fe24  1  0.383197  0.668306  0.004894  1
  Fe  Fe25  1  0.383538  0.668341  0.337959  1
  Fe  Fe26  1  0.400596  0.668839  0.669560  1
  Fe  Fe27  1  0.601340  0.002498  0.002976  1
  Fe  Fe28  1  0.604403  1.002453  0.335274  1
  Fe  Fe29  1  0.604403  0.002543  0.670678  1
  Fe  Fe30  1  0.603976  0.335156  0.004396  1
  Fe  Fe31  1  0.581645  0.336310  0.336380  1
  Fe  Fe32  1  0.604192  0.334907  0.671113  1
  Fe  Fe33  1  0.603976  0.669840  1.001556  1
  Fe  Fe34  1  0.604192  0.670090  0.334839  1
  Fe  Fe35  1  0.581645  0.668686  0.669573  1
  Fe  Fe36  1  0.783084  0.002498  0.002976  1
  Fe  Fe37  1  0.791736  0.003860  0.334963  1
  Fe  Fe38  1  0.791736  1.001136  0.670989  1
  Fe  Fe39  1  0.791374  0.334453  0.004616  1
  Fe  Fe40  1  0.804462  0.336070  0.336462  1
  Fe  Fe41  1  0.791760  0.334421  0.671633  1
  Fe  Fe42  1  0.791374  0.670543  1.001336  1
  Fe  Fe43  1  0.791760  0.670575  0.334319  1
  Fe  Fe44  1  0.804462  0.668926  0.669491  1
  Fe  Fe45  1  0.082414  0.166328  0.165181  1
  Fe  Fe46  1  0.099761  0.169498  0.502751  1
  Fe  Fe47  1  0.082226  0.166958  0.837652  1
  Fe  Fe48  1  0.099611  0.502566  0.169728  1
  Fe  Fe49  1  0.099945  0.502498  0.502976  1
  Fe  Fe50  1  0.099611  0.502431  0.836224  1
  Fe  Fe51  1  0.082226  0.838039  0.168300  1
  Fe  Fe52  1  0.099761  0.835499  0.503201  1
  Fe  Fe53  1  0.082414  0.838669  0.840771  1
  Fe  Fe54  1  0.305424  0.170016  0.171870  1
  Fe  Fe55  1  0.280761  0.168743  0.503345  1
  Fe  Fe56  1  0.307351  0.168941  0.835958  1
  Fe  Fe57  1  0.279990  0.503221  0.169118  1
  Fe  Fe58  1  0.281140  0.502498  0.502976  1
  Fe  Fe59  1  0.279990  0.501775  0.836835  1
  Fe  Fe60  1  0.307351  0.836055  0.169994  1
  Fe  Fe61  1  0.280761  0.836253  0.502608  1
  Fe  Fe62  1  0.305424  0.834980  0.834082  1
  Fe  Fe63  1  0.492251  0.168623  0.168638  1
  Fe  Fe64  1  0.503654  0.169740  0.502455  1
  Fe  Fe65  1  0.492819  0.169219  0.836108  1
  Fe  Fe66  1  0.503673  0.502232  0.170044  1
  Fe  Fe67  1  0.505077  0.502498  0.502976  1
  Fe  Fe68  1  0.503673  0.502764  0.835909  1
  Fe  Fe69  1  0.492819  0.835777  0.169845  1
  Fe  Fe70  1  0.503654  0.835256  0.503498  1
  Fe  Fe71  1  0.492251  0.836374  0.837314  1
  Fe  Fe72  1  0.679553  0.170271  0.171984  1
  Fe  Fe73  1  0.691695  0.169137  0.502935  1
  Fe  Fe74  1  0.679298  0.168791  0.836515  1
  Fe  Fe75  1  0.691139  0.502789  0.169338  1
  Fe  Fe76  1  0.691397  0.502498  0.502976  1
  Fe  Fe77  1  0.691139  0.502208  0.836614  1
  Fe  Fe78  1  0.679298  0.836205  0.169437  1
  Fe  Fe79  1  0.691695  0.835859  0.503018  1
  Fe  Fe80  1  0.679553  0.834726  0.833968  1
  Fe  Fe81  1  0.902844  0.166492  0.164592  1
  Fe  Fe82  1  0.879492  0.169315  0.502704  1
  Fe  Fe83  1  0.903191  0.166899  0.837463  1
  Fe  Fe84  1  0.878447  0.502449  0.169639  1
  Fe  Fe85  1  0.878601  0.502498  0.502976  1
  Fe  Fe86  1  0.878447  0.502547  0.836314  1
  Fe  Fe87  1  0.903191  0.838097  0.168489  1
  Fe  Fe88  1  0.879492  0.835682  0.503248  1
  Fe  Fe89  1  0.902844  0.838505  0.841360  1
  P  P90  1  -0.007660  0.261610  0.114929  1
  P  P91  1  0.991269  0.255581  0.450556  1
  P  P92  1  -0.007718  0.260310  0.782426  1
  P  P93  1  0.989918  0.588223  0.116975  1
  P  P94  1  0.989851  0.590523  0.451575  1
  P  P95  1  0.990745  0.587962  0.784053  1
  P  P96  1  -0.007172  0.927959  0.113310  1
  P  P97  1  0.990605  0.922364  0.451176  1
  P  P98  1  -0.007818  0.927816  0.780468  1
  P  P99  1  0.193004  0.254602  0.117403  1
  P  P100  1  0.190518  0.260210  0.447911  1
  P  P101  1  0.192886  0.253784  0.784505  1
  P  P102  1  0.190155  0.594985  0.115515  1
  P  P103  1  0.190478  0.593723  0.447898  1
  P  P104  1  0.190141  0.594129  0.782573  1
  P  P105  1  0.194324  0.922601  0.118231  1
  P  P106  1  0.190880  0.926981  0.448120  1
  P  P107  1  0.193256  0.922224  0.784512  1
  P  P108  1  0.394364  0.260661  0.116516  1
  P  P109  1  0.392255  0.256096  0.451214  1
  P  P110  1  0.394751  0.260339  0.782362  1
  P  P111  1  0.391586  0.588480  0.117627  1
  P  P112  1  0.390938  0.588962  0.451243  1
  P  P113  1  0.391880  0.588199  0.783683  1
  P  P114  1  0.394760  0.926461  0.115943  1
  P  P115  1  0.391996  0.922427  0.451548  1
  P  P116  1  0.394246  0.926167  0.781624  1
  P  P117  1  0.591167  0.259702  0.116447  1
  P  P118  1  0.593187  0.259335  0.449291  1
  P  P119  1  0.591607  0.259184  0.782643  1
  P  P120  1  0.592565  0.592908  0.115299  1
  P  P121  1  0.593276  0.593212  0.448694  1
  P  P122  1  0.592387  0.592273  0.782430  1
  P  P123  1  0.590226  0.926142  0.115636  1
  P  P124  1  0.593487  0.925918  0.448836  1
  P  P125  1  0.591211  0.926232  0.782446  1
  P  P126  1  0.792230  0.254538  0.117478  1
  P  P127  1  0.790891  0.260541  0.448955  1
  P  P128  1  0.792569  0.254985  0.785125  1
  P  P129  1  0.789591  0.594146  0.116904  1
  P  P130  1  0.789708  0.592318  0.449255  1
  P  P131  1  0.790080  0.594304  0.783121  1
  P  P132  1  0.790466  0.923650  0.118165  1
  P  P133  1  0.790148  0.926550  0.449690  1
  P  P134  1  0.792260  0.921894  0.784859  1
  P  P135  1  -0.007818  0.077181  0.225484  1
  P  P136  1  0.990605  0.082633  0.554777  1
  P  P137  1  -0.007172  0.077038  0.892643  1
  P  P138  1  0.990745  0.417034  0.221899  1
  P  P139  1  0.989851  0.414473  0.554377  1
  P  P140  1  0.989918  0.416774  0.888977  1
  P  P141  1  -0.007718  0.744687  0.223526  1
  P  P142  1  0.991269  0.749415  0.555396  1
  P  P143  1  -0.007660  0.743387  0.891023  1
  P  P144  1  0.193256  0.082772  0.221440  1
  P  P145  1  0.190880  0.078016  0.557833  1
  P  P146  1  0.194324  0.082396  0.887722  1
  P  P147  1  0.190141  0.410867  0.223379  1
  P  P148  1  0.190478  0.411274  0.558055  1
  P  P149  1  0.190155  0.410012  0.890438  1
  P  P150  1  0.192886  0.751212  0.221447  1
  P  P151  1  0.190518  0.744786  0.558041  1
  P  P152  1  0.193004  0.750394  0.888550  1
  P  P153  1  0.394246  0.078830  0.224329  1
  P  P154  1  0.391996  0.082569  0.554404  1
  P  P155  1  0.394760  0.078535  0.890010  1
  P  P156  1  0.391880  0.416797  0.222269  1
  P  P157  1  0.390938  0.416035  0.554709  1
  P  P158  1  0.391586  0.416516  0.888325  1
  P  P159  1  0.394751  0.744657  0.223590  1
  P  P160  1  0.392255  0.748900  0.554738  1
  P  P161  1  0.394364  0.744335  0.889437  1
  P  P162  1  0.591211  0.078764  0.223506  1
  P  P163  1  0.593487  0.079078  0.557116  1
  P  P164  1  0.590226  0.078855  0.890316  1
  P  P165  1  0.592387  0.412723  0.223522  1
  P  P166  1  0.593276  0.411784  0.557258  1
  P  P167  1  0.592565  0.412089  0.890653  1
  P  P168  1  0.591607  0.745813  0.223309  1
  P  P169  1  0.593187  0.745662  0.556662  1
  P  P170  1  0.591167  0.745294  0.889506  1
  P  P171  1  0.792260  0.083102  0.221094  1
  P  P172  1  0.790148  0.078446  0.556263  1
  P  P173  1  0.790466  0.081347  0.887787  1
  P  P174  1  0.790080  0.410693  0.222831  1
  P  P175  1  0.789708  0.412679  0.556697  1
  P  P176  1  0.789591  0.410850  0.889048  1
  P  P177  1  0.792569  0.750012  0.220828  1
  P  P178  1  0.790891  0.744456  0.556998  1
  P  P179  1  0.792230  0.750458  0.888474  1
  P  P180  1  0.090104  0.244224  0.281611  1
  P  P181  1  0.091129  0.248654  0.617826  1
  P  P182  1  0.091322  0.248876  0.951217  1
  P  P183  1  0.091157  0.583786  0.283653  1
  P  P184  1  0.088901  0.577975  0.616474  1
  P  P185  1  0.091341  0.582270  0.951292  1
  P  P186  1  0.091751  0.915846  0.284107  1
  P  P187  1  0.091175  0.916630  0.616784  1
  P  P188  1  0.094057  0.915589  0.951408  1
  P  P189  1  0.292161  0.250539  0.283770  1
  P  P190  1  0.292362  0.244998  0.615174  1
  P  P191  1  0.292973  0.244552  0.948512  1
  P  P192  1  0.291663  0.577883  0.282483  1
  P  P193  1  0.290287  0.583206  0.617022  1
  P  P194  1  0.291721  0.578362  0.948510  1
  P  P195  1  0.292861  0.911737  0.282014  1
  P  P196  1  0.292495  0.910590  0.616028  1
  P  P197  1  0.293137  0.911555  0.947859  1
  P  P198  1  0.491694  0.244563  0.283941  1
  P  P199  1  0.492714  0.249206  0.616784  1
  P  P200  1  0.492406  0.249721  0.950960  1
  P  P201  1  0.492896  0.582157  0.284058  1
  P  P202  1  0.491201  0.577646  0.615072  1
  P  P203  1  0.492540  0.581375  0.950918  1
  P  P204  1  0.492863  0.914491  0.285554  1
  P  P205  1  0.492969  0.916842  0.616133  1
  P  P206  1  0.492382  0.914072  0.951563  1
  P  P207  1  0.691523  0.249328  0.284286  1
  P  P208  1  0.693040  0.244901  0.617003  1
  P  P209  1  0.692527  0.244360  0.949478  1
  P  P210  1  0.692936  0.579074  0.283079  1
  P  P211  1  0.691684  0.581991  0.618036  1
  P  P212  1  0.692850  0.579391  0.949625  1
  P  P213  1  0.693367  0.912835  0.281652  1
  P  P214  1  0.692822  0.911276  0.617380  1
  P  P215  1  0.691968  0.911631  0.947955  1
  P  P216  1  0.893046  0.245198  0.280903  1
  P  P217  1  0.890122  0.245287  0.615558  1
  P  P218  1  0.890368  0.244756  0.949598  1
  P  P219  1  0.889679  0.579163  0.282340  1
  P  P220  1  0.892309  0.578764  0.615850  1
  P  P221  1  0.889300  0.579103  0.949158  1
  P  P222  1  0.890396  0.912562  0.282079  1
  P  P223  1  0.890114  0.912163  0.615471  1
  P  P224  1  0.891319  0.916383  0.951151  1
  P  P225  1  0.094057  0.089408  0.054544  1
  P  P226  1  0.091175  0.088366  0.389168  1
  P  P227  1  0.091751  0.089151  0.721846  1
  P  P228  1  0.091341  0.422727  0.054660  1
  P  P229  1  0.088901  0.427021  0.389478  1
  P  P230  1  0.091157  0.421210  0.722300  1
  P  P231  1  0.091322  0.756120  0.054735  1
  P  P232  1  0.091129  0.756342  0.388126  1
  P  P233  1  0.090104  0.760772  0.724341  1
  P  P234  1  0.293137  0.093441  0.058093  1
  P  P235  1  0.292495  0.094406  0.389924  1
  P  P236  1  0.292861  0.093260  0.723938  1
  P  P237  1  0.291721  0.426634  0.057442  1
  P  P238  1  0.290287  0.421790  0.388930  1
  P  P239  1  0.291663  0.427114  0.723470  1
  P  P240  1  0.292973  0.760444  0.057441  1
  P  P241  1  0.292362  0.759998  0.390778  1
  P  P242  1  0.292161  0.754458  0.722183  1
  P  P243  1  0.492382  0.090925  0.054389  1
  P  P244  1  0.492969  0.088155  0.389819  1
  P  P245  1  0.492863  0.090505  0.720398  1
  P  P246  1  0.492540  0.423622  0.055034  1
  P  P247  1  0.491201  0.427350  0.390880  1
  P  P248  1  0.492896  0.422839  0.721894  1
  P  P249  1  0.492406  0.755276  0.054992  1
  P  P250  1  0.492714  0.755790  0.389168  1
  P  P251  1  0.491694  0.760433  0.722012  1
  P  P252  1  0.691968  0.093365  0.057998  1
  P  P253  1  0.692822  0.093720  0.388573  1
  P  P254  1  0.693367  0.092162  0.724300  1
  P  P255  1  0.692850  0.425605  0.056327  1
  P  P256  1  0.691684  0.423005  0.387916  1
  P  P257  1  0.692936  0.425923  0.722873  1
  P  P258  1  0.692527  0.760636  0.056474  1
  P  P259  1  0.693040  0.760095  0.388949  1
  P  P260  1  0.691523  0.755668  0.721666  1
  P  P261  1  0.891319  0.088613  0.054801  1
  P  P262  1  0.890114  0.092833  0.390481  1
  P  P263  1  0.890396  0.092435  0.723873  1
  P  P264  1  0.889300  0.425894  0.056794  1
  P  P265  1  0.892309  0.426232  0.390103  1
  P  P266  1  0.889679  0.425833  0.723613  1
  P  P267  1  0.890368  0.760240  0.056355  1
  P  P268  1  0.890122  0.759709  0.390394  1
  P  P269  1  0.893046  0.759799  0.725050  1
