# generated using pymatgen
data_Fe90P179
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.23123474
_cell_length_b   16.99728821
_cell_length_c   17.79657708
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe90P179
_chemical_formula_sum   'Fe90 P179'
_cell_volume   4909.84381346
_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  0.979663  1.000158  0.004718  1
  Fe  Fe2  1  0.979521  1.001386  0.338035  1
  Fe  Fe3  1  0.992481  0.003800  0.669141  1
  Fe  Fe4  1  0.978991  0.331864  0.006052  1
  Fe  Fe5  1  0.991732  0.334149  0.337600  1
  Fe  Fe6  1  0.979133  0.338077  0.667175  1
  Fe  Fe7  1  0.006880  0.668454  1.002679  1
  Fe  Fe8  1  0.991703  0.668963  0.335442  1
  Fe  Fe9  1  0.979641  0.670412  0.667264  1
  Fe  Fe10  1  0.203183  0.004749  1.000439  1
  Fe  Fe11  1  0.202467  0.005268  0.332394  1
  Fe  Fe12  1  0.179853  1.001038  0.672027  1
  Fe  Fe13  1  0.203994  0.335937  1.000749  1
  Fe  Fe14  1  0.178827  0.338561  0.334241  1
  Fe  Fe15  1  0.202379  0.334428  0.671504  1
  Fe  Fe16  1  0.193002  0.669170  0.003337  1
  Fe  Fe17  1  0.177613  0.668917  0.336053  1
  Fe  Fe18  1  0.202676  0.667106  0.671384  1
  Fe  Fe19  1  0.383726  1.002495  0.004800  1
  Fe  Fe20  1  0.383957  0.002812  0.337145  1
  Fe  Fe21  1  0.402223  0.004485  0.666160  1
  Fe  Fe22  1  0.382635  0.335538  0.003000  1
  Fe  Fe23  1  0.401740  0.335442  0.339193  1
  Fe  Fe24  1  0.383669  0.338046  0.668027  1
  Fe  Fe25  1  0.380388  0.669271  0.003108  1
  Fe  Fe26  1  0.401171  0.669562  0.336323  1
  Fe  Fe27  1  0.383815  0.670710  0.668043  1
  Fe  Fe28  1  0.605095  0.003786  1.001814  1
  Fe  Fe29  1  0.606427  0.004179  0.333963  1
  Fe  Fe30  1  0.583439  0.003144  0.668229  1
  Fe  Fe31  1  0.604938  0.335951  0.003446  1
  Fe  Fe32  1  0.582189  0.336813  0.337404  1
  Fe  Fe33  1  0.604831  0.336435  0.670701  1
  Fe  Fe34  1  0.601737  0.669328  0.003122  1
  Fe  Fe35  1  0.582658  0.669830  0.336418  1
  Fe  Fe36  1  0.605462  0.669074  0.671365  1
  Fe  Fe37  1  0.792266  0.004224  1.001470  1
  Fe  Fe38  1  0.793393  0.004560  0.333162  1
  Fe  Fe39  1  0.804922  1.001139  0.671003  1
  Fe  Fe40  1  0.789976  0.336752  1.002393  1
  Fe  Fe41  1  0.804279  0.337613  0.335304  1
  Fe  Fe42  1  0.792227  0.335047  0.670836  1
  Fe  Fe43  1  0.782925  0.668725  0.003133  1
  Fe  Fe44  1  0.804936  0.669381  0.335667  1
  Fe  Fe45  1  0.792582  0.667816  0.671230  1
  Fe  Fe46  1  0.076402  0.175878  0.163484  1
  Fe  Fe47  1  0.101143  0.169508  0.503204  1
  Fe  Fe48  1  0.083203  0.171340  0.840098  1
  Fe  Fe49  1  0.080596  0.497566  0.167426  1
  Fe  Fe50  1  0.100306  0.503427  0.503071  1
  Fe  Fe51  1  0.083393  0.500579  0.834320  1
  Fe  Fe52  1  0.101226  0.836943  0.172365  1
  Fe  Fe53  1  0.101273  0.836039  0.502914  1
  Fe  Fe54  1  0.083586  0.835387  0.836542  1
  Fe  Fe55  1  0.303102  0.173326  0.170668  1
  Fe  Fe56  1  0.281184  0.169826  0.502646  1
  Fe  Fe57  1  0.306665  0.167838  0.833599  1
  Fe  Fe58  1  0.304839  0.504091  0.171463  1
  Fe  Fe59  1  0.281423  0.500822  0.500171  1
  Fe  Fe60  1  0.306291  0.502878  0.837154  1
  Fe  Fe61  1  0.282001  0.837007  0.169506  1
  Fe  Fe62  1  0.282509  0.836407  0.502272  1
  Fe  Fe63  1  0.305993  0.835764  0.836591  1
  Fe  Fe64  1  0.493085  0.169353  0.168138  1
  Fe  Fe65  1  0.505359  0.169809  0.502370  1
  Fe  Fe66  1  0.493453  0.170665  0.837573  1
  Fe  Fe67  1  0.491819  0.501959  0.168273  1
  Fe  Fe68  1  0.505010  0.505203  0.505067  1
  Fe  Fe69  1  0.492980  0.502859  0.836303  1
  Fe  Fe70  1  0.504651  0.836363  0.170370  1
  Fe  Fe71  1  0.505947  0.836336  0.502447  1
  Fe  Fe72  1  0.492513  0.836783  0.835859  1
  Fe  Fe73  1  0.683067  0.172324  0.170302  1
  Fe  Fe74  1  0.693814  0.169583  0.502842  1
  Fe  Fe75  1  0.681185  0.168721  0.834973  1
  Fe  Fe76  1  0.679975  0.504549  0.170456  1
  Fe  Fe77  1  0.692660  0.501721  0.501168  1
  Fe  Fe78  1  0.679615  0.502249  0.835775  1
  Fe  Fe79  1  0.692535  0.836541  0.168818  1
  Fe  Fe80  1  0.692420  0.836189  0.502703  1
  Fe  Fe81  1  0.680240  0.835546  0.836848  1
  Fe  Fe82  1  0.910065  0.177862  0.163465  1
  Fe  Fe83  1  0.880940  0.169444  0.503670  1
  Fe  Fe84  1  0.902935  0.170229  0.838211  1
  Fe  Fe85  1  0.903329  0.498474  0.169733  1
  Fe  Fe86  1  0.879775  0.501839  0.500171  1
  Fe  Fe87  1  0.902644  0.502937  0.838350  1
  Fe  Fe88  1  0.879819  0.834264  0.166784  1
  Fe  Fe89  1  0.879418  0.835877  0.502984  1
  Fe  Fe90  1  0.901960  0.835769  0.836321  1
  P  P91  1  0.992345  0.255751  0.451438  1
  P  P92  1  -0.007129  0.261542  0.781712  1
  P  P93  1  -0.006898  0.592599  0.114820  1
  P  P94  1  0.991566  0.590173  0.450878  1
  P  P95  1  -0.007155  0.593269  0.780892  1
  P  P96  1  0.990893  0.921112  0.116714  1
  P  P97  1  0.990796  0.923408  0.451572  1
  P  P98  1  -0.007475  0.925980  0.782812  1
  P  P99  1  0.187006  0.258208  0.117293  1
  P  P100  1  0.191992  0.261351  0.447914  1
  P  P101  1  0.193738  0.255256  0.784702  1
  P  P102  1  0.191888  0.587393  0.117218  1
  P  P103  1  0.191233  0.593551  0.447658  1
  P  P104  1  0.193595  0.589031  0.784235  1
  P  P105  1  0.191560  0.929572  0.116175  1
  P  P106  1  0.191874  0.927396  0.447687  1
  P  P107  1  0.191979  0.922399  0.784520  1
  P  P108  1  0.393437  0.260311  0.116185  1
  P  P109  1  0.393277  0.256319  0.451690  1
  P  P110  1  0.394789  0.260261  0.781991  1
  P  P111  1  0.393141  0.594236  0.116528  1
  P  P112  1  0.392288  0.590066  0.451131  1
  P  P113  1  0.394992  0.593461  0.781991  1
  P  P114  1  0.392485  0.922410  0.117523  1
  P  P115  1  0.391988  0.923143  0.450588  1
  P  P116  1  0.393827  0.926881  0.781373  1
  P  P117  1  0.592378  0.260008  0.115736  1
  P  P118  1  0.594787  0.259775  0.449388  1
  P  P119  1  0.592210  0.260031  0.782600  1
  P  P120  1  0.590657  0.593328  0.116068  1
  P  P121  1  0.594280  0.593651  0.449303  1
  P  P122  1  0.591899  0.593216  0.782909  1
  P  P123  1  0.593660  0.926956  0.115000  1
  P  P124  1  0.594697  0.927210  0.448158  1
  P  P125  1  0.590960  0.926408  0.782064  1
  P  P126  1  0.796971  0.258923  0.118997  1
  P  P127  1  0.791910  0.260959  0.448840  1
  P  P128  1  0.792975  0.255899  0.784950  1
  P  P129  1  0.792532  0.588823  0.117395  1
  P  P130  1  0.791321  0.592985  0.447799  1
  P  P131  1  0.792876  0.589613  0.785427  1
  P  P132  1  0.790938  0.927857  0.116718  1
  P  P133  1  0.790698  0.925816  0.448828  1
  P  P134  1  0.792699  0.923390  0.784658  1
  P  P135  1  -0.007189  0.077007  0.222921  1
  P  P136  1  -0.007269  0.082841  0.555807  1
  P  P137  1  -0.007066  0.077395  0.891370  1
  P  P138  1  0.991521  0.394314  0.213225  1
  P  P139  1  0.990682  0.415947  0.554030  1
  P  P140  1  0.992065  0.410557  0.891124  1
  P  P141  1  0.991843  0.749514  0.221308  1
  P  P142  1  0.991042  0.748249  0.554415  1
  P  P143  1  -0.006796  0.744668  0.891044  1
  P  P144  1  0.191824  0.086800  0.220788  1
  P  P145  1  0.192112  0.078058  0.558288  1
  P  P146  1  0.193791  0.082728  0.887633  1
  P  P147  1  0.191683  0.416671  0.221474  1
  P  P148  1  0.190995  0.411526  0.557254  1
  P  P149  1  0.193632  0.414442  0.886823  1
  P  P150  1  0.191602  0.743573  0.223442  1
  P  P151  1  0.191643  0.744935  0.557502  1
  P  P152  1  0.193070  0.748850  0.887827  1
  P  P153  1  0.393954  0.079572  0.222821  1
  P  P154  1  0.393587  0.083361  0.553387  1
  P  P155  1  0.395483  0.078937  0.890118  1
  P  P156  1  0.393070  0.413053  0.224309  1
  P  P157  1  0.392260  0.416426  0.554327  1
  P  P158  1  0.394830  0.412493  0.890106  1
  P  P159  1  0.393046  0.750597  0.222360  1
  P  P160  1  0.391935  0.749764  0.554165  1
  P  P161  1  0.393999  0.745671  0.890533  1
  P  P162  1  0.593586  0.080347  0.222606  1
  P  P163  1  0.594868  0.079840  0.555975  1
  P  P164  1  0.592037  0.079556  0.889978  1
  P  P165  1  0.590472  0.413148  0.223615  1
  P  P166  1  0.593990  0.412835  0.557114  1
  P  P167  1  0.591163  0.412184  0.890603  1
  P  P168  1  0.593772  0.746476  0.223278  1
  P  P169  1  0.594341  0.745677  0.557278  1
  P  P170  1  0.590509  0.746069  0.890216  1
  P  P171  1  0.795255  0.086070  0.220212  1
  P  P172  1  0.791928  0.077678  0.557382  1
  P  P173  1  0.793018  0.082182  0.887560  1
  P  P174  1  0.791932  0.416779  0.222000  1
  P  P175  1  0.790717  0.412003  0.555582  1
  P  P176  1  0.792188  0.415623  0.887925  1
  P  P177  1  0.791283  0.744246  0.222315  1
  P  P178  1  0.790616  0.745814  0.556318  1
  P  P179  1  0.791771  0.748056  0.888056  1
  P  P180  1  0.092311  0.243168  0.283817  1
  P  P181  1  0.091727  0.249977  0.617231  1
  P  P182  1  0.090792  0.248818  0.953534  1
  P  P183  1  0.090089  0.576738  0.281089  1
  P  P184  1  0.092241  0.582230  0.617418  1
  P  P185  1  0.095264  0.577667  0.948545  1
  P  P186  1  0.092505  0.917403  0.284020  1
  P  P187  1  0.090557  0.911646  0.616494  1
  P  P188  1  0.092923  0.916079  0.950790  1
  P  P189  1  0.292641  0.251921  0.283339  1
  P  P190  1  0.293179  0.244342  0.616111  1
  P  P191  1  0.292491  0.244416  0.947736  1
  P  P192  1  0.292549  0.582993  0.284466  1
  P  P193  1  0.293440  0.578130  0.614257  1
  P  P194  1  0.292093  0.579129  0.948726  1
  P  P195  1  0.292936  0.912113  0.282429  1
  P  P196  1  0.291961  0.916723  0.616538  1
  P  P197  1  0.293098  0.911767  0.948507  1
  P  P198  1  0.492524  0.244071  0.283712  1
  P  P199  1  0.493572  0.250982  0.615991  1
  P  P200  1  0.493032  0.248387  0.951988  1
  P  P201  1  0.492196  0.579457  0.282761  1
  P  P202  1  0.493890  0.583518  0.617329  1
  P  P203  1  0.492543  0.582030  0.951757  1
  P  P204  1  0.494147  0.916804  0.283525  1
  P  P205  1  0.492522  0.911679  0.614177  1
  P  P206  1  0.493032  0.915623  0.951409  1
  P  P207  1  0.692041  0.251788  0.283085  1
  P  P208  1  0.693757  0.244583  0.617664  1
  P  P209  1  0.693963  0.246037  0.948589  1
  P  P210  1  0.692199  0.582202  0.284102  1
  P  P211  1  0.694300  0.578387  0.616703  1
  P  P212  1  0.692732  0.577549  0.948860  1
  P  P213  1  0.694639  0.913156  0.282312  1
  P  P214  1  0.692759  0.915437  0.618005  1
  P  P215  1  0.693721  0.912991  0.948286  1
  P  P216  1  0.892571  0.242909  0.283856  1
  P  P217  1  0.890932  0.245934  0.615657  1
  P  P218  1  0.891009  0.246058  0.950914  1
  P  P219  1  0.894253  0.577631  0.281075  1
  P  P220  1  0.890940  0.578626  0.614573  1
  P  P221  1  0.893644  0.583326  0.950436  1
  P  P222  1  0.890944  0.911774  0.281522  1
  P  P223  1  0.893497  0.912047  0.615860  1
  P  P224  1  0.890503  0.911140  0.949995  1
  P  P225  1  0.092094  0.088958  0.054267  1
  P  P226  1  0.091747  0.088197  0.389747  1
  P  P227  1  0.092026  0.093826  0.724120  1
  P  P228  1  0.091519  0.420643  0.052589  1
  P  P229  1  0.088701  0.426187  0.388267  1
  P  P230  1  0.091823  0.422594  0.720796  1
  P  P231  1  0.093801  0.759962  0.056658  1
  P  P232  1  0.089799  0.760545  0.389179  1
  P  P233  1  0.092144  0.754999  0.721907  1
  P  P234  1  0.293179  0.095478  0.057795  1
  P  P235  1  0.292908  0.095458  0.389080  1
  P  P236  1  0.293308  0.088135  0.721894  1
  P  P237  1  0.292128  0.427264  0.057712  1
  P  P238  1  0.291049  0.423238  0.387653  1
  P  P239  1  0.292673  0.427304  0.724100  1
  P  P240  1  0.290724  0.759345  0.057289  1
  P  P241  1  0.290995  0.755521  0.388368  1
  P  P242  1  0.292770  0.761117  0.723367  1
  P  P243  1  0.493064  0.089539  0.055363  1
  P  P244  1  0.494218  0.088705  0.389034  1
  P  P245  1  0.493383  0.095467  0.721389  1
  P  P246  1  0.492229  0.423537  0.054604  1
  P  P247  1  0.491926  0.428034  0.392047  1
  P  P248  1  0.492911  0.424337  0.720556  1
  P  P249  1  0.492256  0.757522  0.055414  1
  P  P250  1  0.492093  0.761476  0.390432  1
  P  P251  1  0.493042  0.756772  0.721131  1
  P  P252  1  0.694031  0.095401  0.056466  1
  P  P253  1  0.694956  0.095006  0.387677  1
  P  P254  1  0.693137  0.088358  0.722630  1
  P  P255  1  0.692753  0.426321  0.058089  1
  P  P256  1  0.692038  0.423946  0.387129  1
  P  P257  1  0.693614  0.426076  0.724237  1
  P  P258  1  0.692297  0.760287  0.055884  1
  P  P259  1  0.692641  0.756768  0.387492  1
  P  P260  1  0.693891  0.760052  0.723912  1
  P  P261  1  0.891568  0.093394  0.056207  1
  P  P262  1  0.891614  0.091539  0.392090  1
  P  P263  1  0.893891  0.093157  0.724030  1
  P  P264  1  0.889764  0.426867  0.053856  1
  P  P265  1  0.893871  0.426054  0.387636  1
  P  P266  1  0.890307  0.426593  0.723502  1
  P  P267  1  0.891944  0.754494  0.054939  1
  P  P268  1  0.892998  0.759510  0.389930  1
  P  P269  1  0.890855  0.759221  0.723490  1
