# generated using pymatgen
data_Fe54P215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.88647591
_cell_length_b   15.92074198
_cell_length_c   19.93504263
_cell_angle_alpha   90.00000000
_cell_angle_beta   101.49098154
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe54P215
_chemical_formula_sum   'Fe54 P215'
_cell_volume   5874.05502505
_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  0.024313  0.595088  0.313419  1
  Fe  Fe2  1  0.024241  0.596873  0.647434  1
  Fe  Fe3  1  0.023891  0.597613  0.980414  1
  Fe  Fe4  1  0.359955  0.596428  0.260443  1
  Fe  Fe5  1  0.360390  0.596872  0.593942  1
  Fe  Fe6  1  0.360075  0.596863  0.927222  1
  Fe  Fe7  1  0.696007  0.596833  0.204781  1
  Fe  Fe8  1  0.696516  0.597002  0.538151  1
  Fe  Fe9  1  0.696072  0.597722  0.871599  1
  Fe  Fe10  1  0.221920  0.096407  0.257114  1
  Fe  Fe11  1  0.221161  0.096773  0.589844  1
  Fe  Fe12  1  0.220314  0.096914  0.922779  1
  Fe  Fe13  1  0.557942  0.097209  0.202724  1
  Fe  Fe14  1  0.557101  0.097086  0.535687  1
  Fe  Fe15  1  0.556735  0.097249  0.869071  1
  Fe  Fe16  1  0.883840  0.095683  0.312717  1
  Fe  Fe17  1  0.885354  0.096447  0.645721  1
  Fe  Fe18  1  0.883677  0.097057  0.977620  1
  Fe  Fe19  1  0.221866  0.902832  0.089356  1
  Fe  Fe20  1  0.220588  0.903461  0.422669  1
  Fe  Fe21  1  0.220792  0.903855  0.755912  1
  Fe  Fe22  1  0.557538  0.903769  0.035772  1
  Fe  Fe23  1  0.557005  0.903708  0.369072  1
  Fe  Fe24  1  0.557122  0.903973  0.702372  1
  Fe  Fe25  1  0.885301  0.905247  0.145556  1
  Fe  Fe26  1  0.884977  0.903919  0.478810  1
  Fe  Fe27  1  0.885371  0.905010  0.813331  1
  Fe  Fe28  1  0.023071  0.404922  0.145570  1
  Fe  Fe29  1  0.024731  0.403069  0.480068  1
  Fe  Fe30  1  0.024162  0.403987  0.813908  1
  Fe  Fe31  1  0.359295  0.403679  0.093778  1
  Fe  Fe32  1  0.360467  0.403580  0.427117  1
  Fe  Fe33  1  0.360593  0.403887  0.761037  1
  Fe  Fe34  1  0.695729  0.404150  0.038473  1
  Fe  Fe35  1  0.696063  0.403993  0.371638  1
  Fe  Fe36  1  0.696489  0.404403  0.704742  1
  Fe  Fe37  1  0.290646  0.750115  0.174908  1
  Fe  Fe38  1  0.290302  0.749902  0.507954  1
  Fe  Fe39  1  0.290371  0.750397  0.841412  1
  Fe  Fe40  1  0.628828  0.750952  0.119358  1
  Fe  Fe41  1  0.628626  0.750735  0.452684  1
  Fe  Fe42  1  0.628519  0.751173  0.786095  1
  Fe  Fe43  1  0.953021  0.749308  0.230804  1
  Fe  Fe44  1  0.952743  0.750000  0.564098  1
  Fe  Fe45  1  0.952886  0.750924  0.897694  1
  Fe  Fe46  1  0.289904  0.250362  0.007585  1
  Fe  Fe47  1  0.291506  0.249906  0.341965  1
  Fe  Fe48  1  0.291103  0.250365  0.675766  1
  Fe  Fe49  1  0.628091  0.250470  0.952612  1
  Fe  Fe50  1  0.628716  0.249371  0.285586  1
  Fe  Fe51  1  0.628899  0.250183  0.619382  1
  Fe  Fe52  1  0.948711  0.255901  0.056216  1
  Fe  Fe53  1  0.952927  0.249633  0.396003  1
  Fe  Fe54  1  0.952828  0.250446  0.730955  1
  P  P55  1  0.133372  0.500059  0.330226  1
  P  P56  1  0.134786  0.503665  0.664701  1
  P  P57  1  0.134203  0.504158  -0.001772  1
  P  P58  1  0.468885  0.503586  0.278650  1
  P  P59  1  0.469521  0.504019  0.612124  1
  P  P60  1  0.468999  0.503974  0.945492  1
  P  P61  1  0.801551  0.499259  0.221983  1
  P  P62  1  0.802348  0.499418  0.555434  1
  P  P63  1  0.801887  0.500699  0.888644  1
  P  P64  1  0.112104  0.003450  0.238412  1
  P  P65  1  0.112021  0.003940  0.571346  1
  P  P66  1  0.111773  0.003699  0.904122  1
  P  P67  1  0.446246  0.004502  0.184790  1
  P  P68  1  0.446654  0.003772  0.518132  1
  P  P69  1  0.446482  0.003879  0.851398  1
  P  P70  1  0.778596  0.998786  0.295042  1
  P  P71  1  0.779331  0.999333  0.628277  1
  P  P72  1  0.779665  0.999527  0.962327  1
  P  P73  1  0.112785  0.994179  0.069907  1
  P  P74  1  0.111773  0.996925  0.404675  1
  P  P75  1  0.111900  0.996890  0.737743  1
  P  P76  1  0.446684  0.996491  0.018010  1
  P  P77  1  0.446567  0.996886  0.351489  1
  P  P78  1  0.446541  0.996777  0.684703  1
  P  P79  1  0.778905  0.001884  0.128598  1
  P  P80  1  0.779191  0.001423  0.461527  1
  P  P81  1  0.779215  0.001426  0.795183  1
  P  P82  1  0.133727  0.495780  0.164809  1
  P  P83  1  0.135145  0.495665  0.497620  1
  P  P84  1  0.134634  0.496809  0.831513  1
  P  P85  1  0.468574  0.496585  0.112137  1
  P  P86  1  0.469330  0.496762  0.445198  1
  P  P87  1  0.469256  0.497279  0.778893  1
  P  P88  1  0.801490  0.501979  0.055465  1
  P  P89  1  0.802048  0.501126  0.388730  1
  P  P90  1  0.802078  0.502252  0.722053  1
  P  P91  1  0.311330  0.502773  0.166341  1
  P  P92  1  0.312685  0.503204  0.499756  1
  P  P93  1  0.312005  0.503478  0.832940  1
  P  P94  1  0.645229  0.503758  0.109936  1
  P  P95  1  0.645905  0.503969  0.443237  1
  P  P96  1  0.645726  0.504274  0.776554  1
  P  P97  1  0.976815  0.501655  0.218758  1
  P  P98  1  0.977997  0.502822  0.552454  1
  P  P99  1  0.977448  0.503928  0.885218  1
  P  P100  1  0.269466  0.002758  0.350708  1
  P  P101  1  0.269259  0.003397  0.683895  1
  P  P102  1  0.269389  0.003004  0.016778  1
  P  P103  1  0.603447  0.002965  0.297087  1
  P  P104  1  0.603724  0.003198  0.630450  1
  P  P105  1  0.603679  0.003181  0.963774  1
  P  P106  1  0.935494  0.004036  0.408009  1
  P  P107  1  0.935624  0.004642  0.741803  1
  P  P108  1  0.937840  0.013023  0.080798  1
  P  P109  1  0.005142  0.155563  0.325759  1
  P  P110  1  0.005687  0.156357  0.662024  1
  P  P111  1  0.004752  0.157421  0.997799  1
  P  P112  1  0.340169  0.156412  0.272542  1
  P  P113  1  0.340780  0.156401  0.606532  1
  P  P114  1  0.340133  0.156280  0.939846  1
  P  P115  1  0.679959  0.155993  0.220670  1
  P  P116  1  0.678743  0.156342  0.554101  1
  P  P117  1  0.678199  0.156624  0.887615  1
  P  P118  1  0.240451  0.655862  0.243608  1
  P  P119  1  0.240614  0.655957  0.576898  1
  P  P120  1  0.240575  0.656348  0.910298  1
  P  P121  1  0.575532  0.656474  0.188179  1
  P  P122  1  0.575763  0.656489  0.521559  1
  P  P123  1  0.575626  0.656956  0.854913  1
  P  P124  1  0.902945  0.655615  0.295775  1
  P  P125  1  0.902924  0.656363  0.629186  1
  P  P126  1  0.902804  0.657447  0.962497  1
  P  P127  1  0.239687  0.343792  0.077545  1
  P  P128  1  0.241419  0.343804  0.411722  1
  P  P129  1  0.240801  0.344429  0.744178  1
  P  P130  1  0.575049  0.344600  0.021458  1
  P  P131  1  0.575743  0.344196  0.354850  1
  P  P132  1  0.575914  0.344548  0.688183  1
  P  P133  1  0.902328  0.343710  0.127382  1
  P  P134  1  0.903326  0.343970  0.462573  1
  P  P135  1  0.902540  0.344971  0.794576  1
  P  P136  1  0.005679  0.845044  0.162248  1
  P  P137  1  0.005606  0.844202  0.495598  1
  P  P138  1  0.005531  0.844953  0.829134  1
  P  P139  1  0.340975  0.844247  0.106230  1
  P  P140  1  0.340333  0.843830  0.439443  1
  P  P141  1  0.340428  0.844309  0.772650  1
  P  P142  1  0.679016  0.844802  0.054099  1
  P  P143  1  0.678419  0.844460  0.387265  1
  P  P144  1  0.678450  0.844833  0.720601  1
  P  P145  1  0.070691  0.323866  0.074509  1
  P  P146  1  0.071636  0.321815  0.407595  1
  P  P147  1  0.072036  0.322612  0.742962  1
  P  P148  1  0.406933  0.322401  0.022852  1
  P  P149  1  0.407521  0.322414  0.355702  1
  P  P150  1  0.407903  0.322805  0.689621  1
  P  P151  1  0.744433  0.326218  0.967161  1
  P  P152  1  0.744729  0.324815  0.300899  1
  P  P153  1  0.745833  0.325183  0.634495  1
  P  P154  1  0.173782  0.822156  0.160721  1
  P  P155  1  0.173352  0.822092  0.493727  1
  P  P156  1  0.173479  0.822590  0.827089  1
  P  P157  1  0.509374  0.822601  0.106651  1
  P  P158  1  0.509005  0.822442  0.439873  1
  P  P159  1  0.509084  0.822841  0.773312  1
  P  P160  1  0.835704  0.824085  0.214982  1
  P  P161  1  0.835568  0.824546  0.548786  1
  P  P162  1  0.835346  0.824813  0.882111  1
  P  P163  1  0.175136  0.177622  0.329584  1
  P  P164  1  0.173914  0.178187  0.661178  1
  P  P165  1  0.172732  0.177576  0.994520  1
  P  P166  1  0.509184  0.178148  0.273403  1
  P  P167  1  0.509382  0.178233  0.606787  1
  P  P168  1  0.508690  0.178197  0.940094  1
  P  P169  1  0.835137  0.176646  0.381254  1
  P  P170  1  0.835330  0.176416  0.714617  1
  P  P171  1  0.833028  0.177786  0.046047  1
  P  P172  1  0.072028  0.677184  0.243101  1
  P  P173  1  0.072159  0.677913  0.576473  1
  P  P174  1  0.072059  0.678654  0.909819  1
  P  P175  1  0.407376  0.677724  0.189168  1
  P  P176  1  0.407560  0.678047  0.522481  1
  P  P177  1  0.407422  0.678192  0.855839  1
  P  P178  1  0.745470  0.675960  0.134555  1
  P  P179  1  0.745767  0.676162  0.467868  1
  P  P180  1  0.745481  0.676615  0.801166  1
  P  P181  1  0.002274  0.163272  0.493629  1
  P  P182  1  0.001488  0.164075  0.829370  1
  P  P183  1  0.332746  0.163335  0.106692  1
  P  P184  1  0.336398  0.162391  0.440240  1
  P  P185  1  0.335499  0.162947  0.773650  1
  P  P186  1  0.664858  0.163677  0.052855  1
  P  P187  1  0.666114  0.163157  0.386013  1
  P  P188  1  0.666251  0.163525  0.719544  1
  P  P189  1  0.245876  0.662537  0.076790  1
  P  P190  1  0.245389  0.661894  0.409914  1
  P  P191  1  0.245696  0.662885  0.743295  1
  P  P192  1  0.579482  0.663688  0.022160  1
  P  P193  1  0.579138  0.663445  0.355451  1
  P  P194  1  0.579366  0.663770  0.688788  1
  P  P195  1  0.915002  0.664030  0.130311  1
  P  P196  1  0.915269  0.663315  0.463764  1
  P  P197  1  0.915093  0.664222  0.797043  1
  P  P198  1  0.243172  0.336927  0.244088  1
  P  P199  1  0.246359  0.337896  0.577689  1
  P  P200  1  0.244999  0.337850  0.910279  1
  P  P201  1  0.579071  0.336898  0.188611  1
  P  P202  1  0.579692  0.337399  0.522140  1
  P  P203  1  0.578731  0.337715  0.855340  1
  P  P204  1  0.913226  0.337976  0.297425  1
  P  P205  1  0.915443  0.337166  0.630164  1
  P  P206  1  0.913244  0.339140  0.960720  1
  P  P207  1  0.002542  0.835526  0.328872  1
  P  P208  1  0.002067  0.837055  0.661784  1
  P  P209  1  0.002128  0.837827  0.995671  1
  P  P210  1  0.335469  0.837634  0.272979  1
  P  P211  1  0.335256  0.837615  0.606213  1
  P  P212  1  0.335531  0.837756  0.939536  1
  P  P213  1  0.666244  0.837513  0.219357  1
  P  P214  1  0.666074  0.837681  0.552603  1
  P  P215  1  0.666073  0.838204  0.885955  1
  P  P216  1  0.072067  0.673222  0.077658  1
  P  P217  1  0.072348  0.671526  0.410830  1
  P  P218  1  0.072059  0.672982  0.744319  1
  P  P219  1  0.405197  0.673475  0.024277  1
  P  P220  1  0.404820  0.673131  0.357588  1
  P  P221  1  0.405256  0.673704  0.690943  1
  P  P222  1  0.735270  0.675862  0.969507  1
  P  P223  1  0.734970  0.674598  0.302680  1
  P  P224  1  0.735094  0.675209  0.635976  1
  P  P225  1  0.170052  0.172035  0.160120  1
  P  P226  1  0.176349  0.173840  0.493197  1
  P  P227  1  0.175458  0.173529  0.825766  1
  P  P228  1  0.507910  0.172948  0.105948  1
  P  P229  1  0.509563  0.173359  0.439043  1
  P  P230  1  0.509107  0.173355  0.772345  1
  P  P231  1  0.849984  0.173505  0.211965  1
  P  P232  1  0.846795  0.174248  0.546890  1
  P  P233  1  0.845618  0.174274  0.879031  1
  P  P234  1  0.176040  0.826641  0.325460  1
  P  P235  1  0.175951  0.827197  0.658619  1
  P  P236  1  0.176378  0.826642  0.991940  1
  P  P237  1  0.509149  0.827557  0.272134  1
  P  P238  1  0.509289  0.827624  0.605585  1
  P  P239  1  0.509473  0.827576  0.938987  1
  P  P240  1  0.846494  0.826087  0.380477  1
  P  P241  1  0.846503  0.826830  0.714227  1
  P  P242  1  0.847834  0.829323  0.047657  1
  P  P243  1  0.065942  0.319145  0.238548  1
  P  P244  1  0.072272  0.327076  0.576635  1
  P  P245  1  0.071309  0.327815  0.910843  1
  P  P246  1  0.404240  0.326996  0.191144  1
  P  P247  1  0.405770  0.327162  0.524566  1
  P  P248  1  0.404907  0.327365  0.858226  1
  P  P249  1  0.735114  0.325728  0.135946  1
  P  P250  1  0.735304  0.325925  0.469236  1
  P  P251  1  0.734989  0.326632  0.802572  1
  P  P252  1  0.311677  0.497130  -0.000466  1
  P  P253  1  0.311621  0.496592  0.332722  1
  P  P254  1  0.312434  0.497435  0.666496  1
  P  P255  1  0.645410  0.497651  0.943208  1
  P  P256  1  0.645367  0.496855  0.276488  1
  P  P257  1  0.645934  0.497192  0.609838  1
  P  P258  1  0.976438  0.498948  0.051668  1
  P  P259  1  0.977289  0.497415  0.386060  1
  P  P260  1  0.977519  0.497859  0.718945  1
  P  P261  1  0.268476  0.997443  0.183555  1
  P  P262  1  0.268958  0.997144  0.517112  1
  P  P263  1  0.268928  0.997375  0.850353  1
  P  P264  1  0.603435  0.997929  0.130553  1
  P  P265  1  0.603616  0.997781  0.463771  1
  P  P266  1  0.603507  0.998189  0.797027  1
  P  P267  1  0.935214  0.994319  0.243354  1
  P  P268  1  0.935681  0.996501  0.574485  1
  P  P269  1  0.935828  0.996923  0.909984  1
