# generated using pymatgen
data_Fe4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.15663212
_cell_length_b   15.16733004
_cell_length_c   47.73511686
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4P
_chemical_formula_sum   'Fe252 P63'
_cell_volume   10441.2429236
_cell_formula_units_Z   63
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  0.929406  0.232061  0.360418  1
  Fe  Fe2  1  0.313288  0.869009  0.363038  1
  Fe  Fe3  1  0.279206  0.264335  0.351831  1
  Fe  Fe4  1  0.701657  0.363964  0.323324  1
  Fe  Fe5  1  0.934456  0.846325  0.389010  1
  Fe  Fe6  1  0.356856  0.710964  0.327497  1
  Fe  Fe7  1  0.657913  0.519101  0.355710  1
  Fe  Fe8  1  0.596964  0.932627  0.349577  1
  Fe  Fe9  1  0.934288  0.596295  0.348724  1
  Fe  Fe10  1  0.847026  0.041378  0.377180  1
  Fe  Fe11  1  0.265716  0.704132  0.370922  1
  Fe  Fe12  1  0.263496  0.081649  0.357738  1
  Fe  Fe13  1  0.631496  0.081018  0.337840  1
  Fe  Fe14  1  0.954136  0.746313  0.336660  1
  Fe  Fe15  1  0.260194  0.430718  0.335024  1
  Fe  Fe16  1  0.591135  0.368204  0.360056  1
  Fe  Fe17  1  0.598492  0.731216  0.357760  1
  Fe  Fe18  1  0.921406  0.415682  0.352634  1
  Fe  Fe19  1  0.730525  0.200627  0.362681  1
  Fe  Fe20  1  0.019513  0.955603  0.375671  1
  Fe  Fe21  1  0.100328  0.260680  0.351454  1
  Fe  Fe22  1  0.433754  0.297567  0.336020  1
  Fe  Fe23  1  0.753029  0.937551  0.363071  1
  Fe  Fe24  1  0.094080  0.582280  0.330217  1
  Fe  Fe25  1  0.343067  0.544656  0.384547  1
  Fe  Fe26  1  0.418119  0.958161  0.351960  1
  Fe  Fe27  1  0.769156  0.597928  0.351769  1
  Fe  Fe28  1  0.653496  0.072169  0.387438  1
  Fe  Fe29  1  0.123670  0.722464  0.345314  1
  Fe  Fe30  1  0.081480  0.104398  0.366007  1
  Fe  Fe31  1  0.448623  0.111821  0.350013  1
  Fe  Fe32  1  0.764285  0.762641  0.349144  1
  Fe  Fe33  1  0.101633  0.428925  0.352210  1
  Fe  Fe34  1  0.414285  0.463967  0.340277  1
  Fe  Fe35  1  0.430688  0.695650  0.372325  1
  Fe  Fe36  1  0.768101  0.360799  0.367894  1
  Fe  Fe37  1  0.766545  0.109914  0.417583  1
  Fe  Fe38  1  0.113441  0.851890  0.417214  1
  Fe  Fe39  1  0.173923  0.186144  0.393948  1
  Fe  Fe40  1  0.540625  0.239465  0.375292  1
  Fe  Fe41  1  0.740946  0.753019  0.436595  1
  Fe  Fe42  1  0.186175  0.551026  0.374581  1
  Fe  Fe43  1  0.528723  0.385968  0.407130  1
  Fe  Fe44  1  0.467188  0.833745  0.393201  1
  Fe  Fe45  1  0.820686  0.489307  0.393350  1
  Fe  Fe46  1  0.798890  0.928578  0.419627  1
  Fe  Fe47  1  0.062689  0.585817  0.425694  1
  Fe  Fe48  1  0.181973  0.983300  0.396873  1
  Fe  Fe49  1  0.502422  0.989270  0.390907  1
  Fe  Fe50  1  0.838397  0.653945  0.392055  1
  Fe  Fe51  1  0.215539  0.319919  0.395098  1
  Fe  Fe52  1  0.395749  0.285256  0.420100  1
  Fe  Fe53  1  0.466856  0.563640  0.415481  1
  Fe  Fe54  1  0.834777  0.221386  0.402174  1
  Fe  Fe55  1  0.562493  0.193060  0.429327  1
  Fe  Fe56  1  0.905418  0.737305  0.426771  1
  Fe  Fe57  1  0.966140  0.098903  0.402562  1
  Fe  Fe58  1  0.331284  0.156552  0.393894  1
  Fe  Fe59  1  0.630837  0.834839  0.393572  1
  Fe  Fe60  1  0.963649  0.519047  0.394169  1
  Fe  Fe61  1  0.235023  0.464084  0.425123  1
  Fe  Fe62  1  0.286332  0.809945  0.409270  1
  Fe  Fe63  1  0.645064  0.462024  0.401027  1
  Fe  Fe64  1  0.514380  0.918732  0.437700  1
  Fe  Fe65  1  0.026200  0.668474  0.379078  1
  Fe  Fe66  1  0.935696  0.971584  0.423239  1
  Fe  Fe67  1  0.343026  0.977855  0.403095  1
  Fe  Fe68  1  0.683438  0.627588  0.398168  1
  Fe  Fe69  1  0.020003  0.346882  0.392529  1
  Fe  Fe70  1  0.353591  0.377648  0.377692  1
  Fe  Fe71  1  0.215117  0.652495  0.414564  1
  Fe  Fe72  1  0.666277  0.268770  0.407186  1
  Fe  Fe73  1  0.548095  0.093994  0.475137  1
  Fe  Fe74  1  1.000722  0.673202  0.468266  1
  Fe  Fe75  1  0.106900  0.986314  0.446879  1
  Fe  Fe76  1  0.413005  0.110111  0.439020  1
  Fe  Fe77  1  0.673781  0.572687  0.486227  1
  Fe  Fe78  1  0.075377  0.421244  0.442361  1
  Fe  Fe79  1  0.324841  0.407225  0.468716  1
  Fe  Fe80  1  0.338401  0.689701  0.450837  1
  Fe  Fe81  1  0.684835  0.347828  0.449444  1
  Fe  Fe82  1  0.574643  0.781852  0.473764  1
  Fe  Fe83  1  0.923042  0.435273  0.478458  1
  Fe  Fe84  1  0.989749  0.843496  0.462153  1
  Fe  Fe85  1  0.397785  0.841458  0.448179  1
  Fe  Fe86  1  0.767132  0.498400  0.444052  1
  Fe  Fe87  1  0.020257  0.150457  0.459513  1
  Fe  Fe88  1  0.301387  0.135050  0.481761  1
  Fe  Fe89  1  0.440635  0.503284  0.460663  1
  Fe  Fe90  1  0.684632  0.171280  0.462426  1
  Fe  Fe91  1  0.432498  0.983573  0.494104  1
  Fe  Fe92  1  0.759258  0.702907  0.487054  1
  Fe  Fe93  1  0.807392  0.995875  0.467725  1
  Fe  Fe94  1  0.220504  0.109955  0.441669  1
  Fe  Fe95  1  0.497924  0.653523  0.468777  1
  Fe  Fe96  1  0.858334  0.296610  0.453414  1
  Fe  Fe97  1  0.119316  0.267056  0.478705  1
  Fe  Fe98  1  0.145916  0.708511  0.459729  1
  Fe  Fe99  1  0.523943  0.337139  0.455199  1
  Fe  Fe100  1  0.397645  0.797147  0.495875  1
  Fe  Fe101  1  0.896017  0.579180  0.441578  1
  Fe  Fe102  1  0.832639  0.828828  0.466835  1
  Fe  Fe103  1  0.220698  0.838280  0.459415  1
  Fe  Fe104  1  0.596761  0.508140  0.446510  1
  Fe  Fe105  1  0.865971  0.134821  0.452856  1
  Fe  Fe106  1  0.255570  0.264308  0.441035  1
  Fe  Fe107  1  0.137283  0.523989  0.470871  1
  Fe  Fe108  1  0.426215  0.239173  0.470783  1
  Fe  Fe109  1  0.555770  0.845383  0.520207  1
  Fe  Fe110  1  0.806356  0.544423  0.519124  1
  Fe  Fe111  1  0.901780  0.926638  0.510324  1
  Fe  Fe112  1  0.250049  0.976406  0.481180  1
  Fe  Fe113  1  0.501198  0.488045  0.540351  1
  Fe  Fe114  1  0.955739  0.272269  0.492966  1
  Fe  Fe115  1  0.209922  0.236867  0.527953  1
  Fe  Fe116  1  0.220335  0.568177  0.506139  1
  Fe  Fe117  1  0.548692  0.220158  0.507401  1
  Fe  Fe118  1  0.482742  0.727481  0.539487  1
  Fe  Fe119  1  0.868504  0.381241  0.532638  1
  Fe  Fe120  1  0.905745  0.755415  0.506685  1
  Fe  Fe121  1  0.242065  0.720237  0.498549  1
  Fe  Fe122  1  0.578152  0.463433  0.492337  1
  Fe  Fe123  1  0.971740  0.091929  0.508208  1
  Fe  Fe124  1  0.148942  0.992291  0.533562  1
  Fe  Fe125  1  0.286835  0.390469  0.522487  1
  Fe  Fe126  1  0.571236  0.044156  0.523728  1
  Fe  Fe127  1  0.326725  0.877711  0.550004  1
  Fe  Fe128  1  0.683127  0.476777  0.536429  1
  Fe  Fe129  1  0.728363  0.891992  0.506978  1
  Fe  Fe130  1  0.091118  0.918292  0.496351  1
  Fe  Fe131  1  0.398570  0.602112  0.502215  1
  Fe  Fe132  1  0.791464  0.219247  0.492351  1
  Fe  Fe133  1  0.032283  0.220426  0.535339  1
  Fe  Fe134  1  0.056449  0.612050  0.520554  1
  Fe  Fe135  1  0.397516  0.178243  0.516805  1
  Fe  Fe136  1  0.327835  0.715308  0.541669  1
  Fe  Fe137  1  0.765955  0.410042  0.489172  1
  Fe  Fe138  1  0.653548  0.681996  0.524674  1
  Fe  Fe139  1  0.071716  0.756931  0.505091  1
  Fe  Fe140  1  0.454434  0.396629  0.502240  1
  Fe  Fe141  1  0.720440  0.073259  0.509515  1
  Fe  Fe142  1  0.133060  0.114667  0.496788  1
  Fe  Fe143  1  0.043940  0.366271  0.519049  1
  Fe  Fe144  1  0.306937  0.058170  0.526885  1
  Fe  Fe145  1  0.435434  0.752110  0.587742  1
  Fe  Fe146  1  0.766774  0.463453  0.578405  1
  Fe  Fe147  1  0.737665  0.777940  0.544263  1
  Fe  Fe148  1  0.153457  0.838410  0.546698  1
  Fe  Fe149  1  0.347605  0.378466  0.604890  1
  Fe  Fe150  1  0.837999  0.077619  0.543226  1
  Fe  Fe151  1  0.056684  0.092823  0.574514  1
  Fe  Fe152  1  0.157678  0.379135  0.554970  1
  Fe  Fe153  1  0.434580  0.058254  0.555268  1
  Fe  Fe154  1  0.420258  0.608409  0.577960  1
  Fe  Fe155  1  0.753590  0.316808  0.563316  1
  Fe  Fe156  1  0.744416  0.622586  0.564301  1
  Fe  Fe157  1  0.186998  0.672317  0.547754  1
  Fe  Fe158  1  0.431807  0.342441  0.547840  1
  Fe  Fe159  1  0.736069  0.973735  0.550952  1
  Fe  Fe160  1  0.066343  0.900018  0.590852  1
  Fe  Fe161  1  0.114650  0.239384  0.578407  1
  Fe  Fe162  1  0.361273  0.936234  0.597014  1
  Fe  Fe163  1  0.263672  0.801194  0.587902  1
  Fe  Fe164  1  0.587423  0.433967  0.582988  1
  Fe  Fe165  1  0.606079  0.762478  0.572066  1
  Fe  Fe166  1  0.010960  0.789027  0.552202  1
  Fe  Fe167  1  0.336008  0.531536  0.541290  1
  Fe  Fe168  1  0.664096  0.160953  0.555698  1
  Fe  Fe169  1  0.921725  0.050604  0.589804  1
  Fe  Fe170  1  0.971150  0.372810  0.572062  1
  Fe  Fe171  1  0.278130  0.128170  0.582261  1
  Fe  Fe172  1  0.184122  0.486902  0.603543  1
  Fe  Fe173  1  0.611195  0.332216  0.539120  1
  Fe  Fe174  1  0.586159  0.600356  0.572935  1
  Fe  Fe175  1  0.913678  0.650198  0.546452  1
  Fe  Fe176  1  0.318213  0.267580  0.562673  1
  Fe  Fe177  1  0.603252  0.924267  0.557204  1
  Fe  Fe178  1  1.000413  0.970551  0.546536  1
  Fe  Fe179  1  0.929557  0.236964  0.577903  1
  Fe  Fe180  1  0.206321  0.976044  0.583373  1
  Fe  Fe181  1  0.268888  0.557568  0.642420  1
  Fe  Fe182  1  0.598910  0.345507  0.632950  1
  Fe  Fe183  1  0.635397  0.674260  0.615238  1
  Fe  Fe184  1  0.058149  0.637724  0.575658  1
  Fe  Fe185  1  0.206319  0.235951  0.654621  1
  Fe  Fe186  1  0.742814  0.048694  0.595123  1
  Fe  Fe187  1  0.945733  0.948075  0.633100  1
  Fe  Fe188  1  0.034700  0.292639  0.623489  1
  Fe  Fe189  1  0.309577  0.034996  0.636124  1
  Fe  Fe190  1  0.255351  0.403310  0.647630  1
  Fe  Fe191  1  0.600451  0.177605  0.632263  1
  Fe  Fe192  1  0.635149  0.518148  0.621327  1
  Fe  Fe193  1  0.978411  0.540846  0.603627  1
  Fe  Fe194  1  0.424063  0.208304  0.600971  1
  Fe  Fe195  1  0.698473  0.886096  0.598844  1
  Fe  Fe196  1  0.903134  0.806160  0.641146  1
  Fe  Fe197  1  0.955761  0.174139  0.626411  1
  Fe  Fe198  1  0.347628  0.819552  0.632045  1
  Fe  Fe199  1  0.101678  0.577976  0.646493  1
  Fe  Fe200  1  0.454671  0.324560  0.644753  1
  Fe  Fe201  1  0.489944  0.652825  0.628102  1
  Fe  Fe202  1  0.885550  0.750234  0.588130  1
  Fe  Fe203  1  0.226524  0.288268  0.607273  1
  Fe  Fe204  1  0.577439  0.073707  0.583399  1
  Fe  Fe205  1  0.781945  0.945121  0.637114  1
  Fe  Fe206  1  0.866384  0.357236  0.614536  1
  Fe  Fe207  1  0.201105  0.943030  0.632069  1
  Fe  Fe208  1  0.090933  0.419004  0.643585  1
  Fe  Fe209  1  0.536205  0.282578  0.590263  1
  Fe  Fe210  1  0.453161  0.498451  0.627760  1
  Fe  Fe211  1  0.806394  0.563138  0.613139  1
  Fe  Fe212  1  0.153197  0.132954  0.622904  1
  Fe  Fe213  1  0.511040  0.827191  0.618472  1
  Fe  Fe214  1  0.880784  0.910689  0.587883  1
  Fe  Fe215  1  0.811073  0.121677  0.633648  1
  Fe  Fe216  1  0.076222  0.777341  0.635745  1
  Fe  Fe217  1  0.194058  0.493380  0.686789  1
  Fe  Fe218  1  0.506676  0.192381  0.677791  1
  Fe  Fe219  1  0.551746  0.520766  0.665513  1
  Fe  Fe220  1  0.898159  0.618589  0.651741  1
  Fe  Fe221  1  0.065144  0.096970  0.706498  1
  Fe  Fe222  1  0.603528  0.901769  0.650120  1
  Fe  Fe223  1  0.832314  0.870324  0.681816  1
  Fe  Fe224  1  0.912251  0.162630  0.676330  1
  Fe  Fe225  1  0.190129  0.828801  0.663583  1
  Fe  Fe226  1  0.132175  0.354504  0.689446  1
  Fe  Fe227  1  0.512469  0.017730  0.693452  1
  Fe  Fe228  1  0.573403  0.342160  0.679785  1
  Fe  Fe229  1  0.909724  0.459230  0.647248  1
  Fe  Fe230  1  0.199902  0.070768  0.673048  1
  Fe  Fe231  1  0.585630  0.744909  0.661171  1
  Fe  Fe232  1  0.828129  0.712916  0.690865  1
  Fe  Fe233  1  0.852509  0.028140  0.674699  1
  Fe  Fe234  1  0.161979  0.685406  0.675924  1
  Fe  Fe235  1  0.019918  0.515856  0.684464  1
  Fe  Fe236  1  0.348377  0.136648  0.680437  1
  Fe  Fe237  1  0.393327  0.462842  0.673670  1
  Fe  Fe238  1  0.727954  0.574354  0.658144  1
  Fe  Fe239  1  0.061793  0.203041  0.665728  1
  Fe  Fe240  1  0.441688  0.918245  0.658937  1
  Fe  Fe241  1  0.683425  0.853823  0.692992  1
  Fe  Fe242  1  0.703256  0.199612  0.670546  1
  Fe  Fe243  1  0.013793  0.867152  0.676958  1
  Fe  Fe244  1  0.999757  0.280939  0.706626  1
  Fe  Fe245  1  0.478637  0.075639  0.646129  1
  Fe  Fe246  1  0.332949  0.325332  0.688781  1
  Fe  Fe247  1  0.725829  0.384284  0.661417  1
  Fe  Fe248  1  0.044471  0.026341  0.663362  1
  Fe  Fe249  1  0.363898  0.660737  0.663908  1
  Fe  Fe250  1  0.743001  0.762546  0.647481  1
  Fe  Fe251  1  0.666133  0.027417  0.673959  1
  Fe  Fe252  1  0.993050  0.702375  0.677189  1
  P  P253  1  0.969702  0.291911  0.317737  1
  P  P254  1  0.286408  0.966420  0.323492  1
  P  P255  1  0.219468  0.200303  0.317315  1
  P  P256  1  0.610404  0.246063  0.327950  1
  P  P257  1  0.909893  0.913638  0.344608  1
  P  P258  1  0.264507  0.593710  0.334776  1
  P  P259  1  0.627434  0.621753  0.320091  1
  P  P260  1  0.524318  0.853776  0.320517  1
  P  P261  1  0.868034  0.523838  0.316124  1
  P  P262  1  0.853489  0.132018  0.332064  1
  P  P263  1  0.162784  0.853328  0.368623  1
  P  P264  1  0.096001  0.113340  0.418709  1
  P  P265  1  0.482823  0.140330  0.398028  1
  P  P266  1  0.788542  0.811674  0.393828  1
  P  P267  1  0.113356  0.456961  0.398610  1
  P  P268  1  0.507767  0.521394  0.370212  1
  P  P269  1  0.443245  0.716106  0.419603  1
  P  P270  1  0.785582  0.367769  0.415120  1
  P  P271  1  0.670778  0.033972  0.437133  1
  P  P272  1  0.051731  0.736567  0.421003  1
  P  P273  1  0.964197  0.002065  0.471284  1
  P  P274  1  0.355485  0.998161  0.451531  1
  P  P275  1  0.649499  0.655709  0.447074  1
  P  P276  1  0.998434  0.315586  0.443140  1
  P  P277  1  0.389031  0.435433  0.422176  1
  P  P278  1  0.272501  0.580305  0.463712  1
  P  P279  1  0.639344  0.307218  0.491888  1
  P  P280  1  0.583522  0.929931  0.483195  1
  P  P281  1  0.910984  0.595088  0.495168  1
  P  P282  1  0.856009  0.832499  0.545908  1
  P  P283  1  0.249798  0.860517  0.510399  1
  P  P284  1  0.557148  0.591625  0.519101  1
  P  P285  1  0.872869  0.222295  0.529953  1
  P  P286  1  0.272052  0.290847  0.488088  1
  P  P287  1  0.180975  0.522466  0.552214  1
  P  P288  1  0.495754  0.188032  0.553343  1
  P  P289  1  0.474284  0.876776  0.565145  1
  P  P290  1  0.888880  0.519836  0.563587  1
  P  P291  1  0.748094  0.730077  0.597390  1
  P  P292  1  0.134499  0.748593  0.590448  1
  P  P293  1  0.422061  0.459471  0.580731  1
  P  P294  1  0.792330  0.170634  0.587130  1
  P  P295  1  0.172331  0.119225  0.548567  1
  P  P296  1  0.088373  0.392877  0.595837  1
  P  P297  1  0.419215  0.062922  0.602969  1
  P  P298  1  0.335467  0.658068  0.616787  1
  P  P299  1  0.718019  0.369321  0.612093  1
  P  P300  1  0.618322  0.622494  0.694098  1
  P  P301  1  0.986190  0.676368  0.622228  1
  P  P302  1  0.348580  0.247655  0.643918  1
  P  P303  1  0.632790  0.016900  0.625781  1
  P  P304  1  0.062208  0.024012  0.615986  1
  P  P305  1  0.904308  0.311769  0.662081  1
  P  P306  1  0.299762  0.916932  0.674677  1
  P  P307  1  0.293016  0.589702  0.696185  1
  P  P308  1  0.584685  0.234679  0.713106  1
  P  P309  1  0.508391  0.463015  0.708136  1
  P  P310  1  0.857812  0.537521  0.691675  1
  P  P311  1  0.176492  0.191466  0.702714  1
  P  P312  1  0.531921  0.856608  0.697990  1
  P  P313  1  0.906027  0.931402  0.713645  1
  P  P314  1  0.808895  0.163516  0.709357  1
  P  P315  1  0.148893  0.819109  0.708536  1
