# generated using pymatgen
data_Fe4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.23088050
_cell_length_b   13.24034449
_cell_length_c   48.13689317
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4P
_chemical_formula_sum   'Fe216 P54'
_cell_volume   8390.41971002
_cell_formula_units_Z   54
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  0.228771  0.481322  0.336663  1
  Fe  Fe2  1  0.542010  0.189534  0.330603  1
  Fe  Fe3  1  0.433186  0.497705  0.356259  1
  Fe  Fe4  1  0.834955  0.898180  0.321527  1
  Fe  Fe5  1  0.826459  0.155204  0.355498  1
  Fe  Fe6  1  0.872790  0.677982  0.327935  1
  Fe  Fe7  1  0.131252  0.806275  0.357435  1
  Fe  Fe8  1  0.260892  0.274926  0.314227  1
  Fe  Fe9  1  0.627373  0.904165  0.328008  1
  Fe  Fe10  1  0.154825  0.310901  0.356509  1
  Fe  Fe11  1  0.437113  0.898854  0.361539  1
  Fe  Fe12  1  0.543472  0.371911  0.316321  1
  Fe  Fe13  1  0.748093  0.627825  0.364695  1
  Fe  Fe14  1  0.879756  0.075727  0.312168  1
  Fe  Fe15  1  0.820822  0.332361  0.353415  1
  Fe  Fe16  1  0.209993  0.681083  0.320357  1
  Fe  Fe17  1  0.147746  0.985220  0.348128  1
  Fe  Fe18  1  0.464593  0.672481  0.348186  1
  Fe  Fe19  1  0.911084  0.509556  0.367499  1
  Fe  Fe20  1  0.288142  0.117572  0.357769  1
  Fe  Fe21  1  0.274756  0.428701  0.382939  1
  Fe  Fe22  1  0.583504  0.787097  0.365096  1
  Fe  Fe23  1  0.711032  0.246431  0.319726  1
  Fe  Fe24  1  0.612060  0.529538  0.344236  1
  Fe  Fe25  1  0.018672  0.816592  0.318898  1
  Fe  Fe26  1  0.998367  0.169293  0.347301  1
  Fe  Fe27  1  0.305860  0.797953  0.348485  1
  Fe  Fe28  1  0.957449  0.290477  0.385635  1
  Fe  Fe29  1  0.266690  0.927504  0.385003  1
  Fe  Fe30  1  0.375860  0.320727  0.346340  1
  Fe  Fe31  1  0.646347  0.713630  0.319730  1
  Fe  Fe32  1  0.705483  0.063541  0.331271  1
  Fe  Fe33  1  0.595936  0.336644  0.362462  1
  Fe  Fe34  1  0.054173  0.636966  0.343226  1
  Fe  Fe35  1  0.963001  0.969689  0.350683  1
  Fe  Fe36  1  0.263554  0.625037  0.368935  1
  Fe  Fe37  1  0.142158  0.342985  0.406402  1
  Fe  Fe38  1  0.407845  0.033005  0.394440  1
  Fe  Fe39  1  0.339062  0.358345  0.431100  1
  Fe  Fe40  1  0.735343  0.776646  0.397243  1
  Fe  Fe41  1  0.768005  0.040264  0.426756  1
  Fe  Fe42  1  0.725801  0.459412  0.383033  1
  Fe  Fe43  1  0.038676  0.796023  0.435186  1
  Fe  Fe44  1  0.123827  0.159137  0.383210  1
  Fe  Fe45  1  0.409129  0.751815  0.390848  1
  Fe  Fe46  1  1.000315  0.207734  0.436502  1
  Fe  Fe47  1  0.366134  0.835251  0.434042  1
  Fe  Fe48  1  0.464542  0.187424  0.376191  1
  Fe  Fe49  1  0.633786  0.515584  0.434980  1
  Fe  Fe50  1  0.787879  0.943328  0.371845  1
  Fe  Fe51  1  0.808864  0.216090  0.405344  1
  Fe  Fe52  1  0.106883  0.513771  0.381497  1
  Fe  Fe53  1  0.050747  0.911267  0.394509  1
  Fe  Fe54  1  0.432322  0.533514  0.407787  1
  Fe  Fe55  1  0.819634  0.377232  0.430070  1
  Fe  Fe56  1  0.203259  0.178444  0.431575  1
  Fe  Fe57  1  0.149850  0.346459  0.457402  1
  Fe  Fe58  1  0.474599  0.677762  0.438645  1
  Fe  Fe59  1  0.577344  0.006726  0.368079  1
  Fe  Fe60  1  0.519176  0.277873  0.423548  1
  Fe  Fe61  1  0.927976  0.790251  0.368218  1
  Fe  Fe62  1  0.926306  0.074938  0.391944  1
  Fe  Fe63  1  0.200517  0.790403  0.406886  1
  Fe  Fe64  1  0.829115  0.183225  0.455713  1
  Fe  Fe65  1  0.181807  0.831047  0.466622  1
  Fe  Fe66  1  0.297609  0.243640  0.391279  1
  Fe  Fe67  1  0.582616  0.616144  0.389520  1
  Fe  Fe68  1  0.552209  0.871247  0.411429  1
  Fe  Fe69  1  0.562325  0.090054  0.412207  1
  Fe  Fe70  1  0.788845  0.585488  0.413906  1
  Fe  Fe71  1  0.874104  0.877936  0.415368  1
  Fe  Fe72  1  0.227635  0.513187  0.428271  1
  Fe  Fe73  1  0.956123  0.343123  0.473322  1
  Fe  Fe74  1  0.273166  0.056533  0.474460  1
  Fe  Fe75  1  0.283874  0.305894  0.509669  1
  Fe  Fe76  1  0.589961  0.650522  0.477659  1
  Fe  Fe77  1  0.555122  0.836135  0.469030  1
  Fe  Fe78  1  0.647993  0.347649  0.459070  1
  Fe  Fe79  1  0.929208  0.551653  0.483791  1
  Fe  Fe80  1  0.943281  0.019414  0.439624  1
  Fe  Fe81  1  0.304687  0.651776  0.463445  1
  Fe  Fe82  1  0.966389  0.121333  0.486908  1
  Fe  Fe83  1  0.213547  0.744093  0.512907  1
  Fe  Fe84  1  0.395122  0.158831  0.433596  1
  Fe  Fe85  1  0.586280  0.476548  0.493845  1
  Fe  Fe86  1  0.738183  0.836805  0.446582  1
  Fe  Fe87  1  0.565089  0.142618  0.458625  1
  Fe  Fe88  1  0.060561  0.501511  0.444058  1
  Fe  Fe89  1  0.912579  0.765964  0.471287  1
  Fe  Fe90  1  0.306619  0.446395  0.476675  1
  Fe  Fe91  1  0.812034  0.295979  0.502287  1
  Fe  Fe92  1  0.122129  0.005206  0.498238  1
  Fe  Fe93  1  0.130570  0.333625  0.534707  1
  Fe  Fe94  1  0.412529  0.610305  0.506440  1
  Fe  Fe95  1  0.453990  0.987082  0.452205  1
  Fe  Fe96  1  0.473901  0.302837  0.477168  1
  Fe  Fe97  1  0.774183  0.652956  0.463465  1
  Fe  Fe98  1  0.824673  0.959206  0.470437  1
  Fe  Fe99  1  0.102875  0.655694  0.467571  1
  Fe  Fe100  1  0.795414  0.101496  0.499700  1
  Fe  Fe101  1  0.033903  0.819808  0.513763  1
  Fe  Fe102  1  0.131876  0.193581  0.485057  1
  Fe  Fe103  1  0.468344  0.485525  0.458858  1
  Fe  Fe104  1  0.397623  0.783664  0.483141  1
  Fe  Fe105  1  0.416181  0.134439  0.488853  1
  Fe  Fe106  1  0.771261  0.469705  0.471477  1
  Fe  Fe107  1  0.745766  0.803316  0.499709  1
  Fe  Fe108  1  0.107200  0.463936  0.496496  1
  Fe  Fe109  1  0.882739  0.163954  0.539515  1
  Fe  Fe110  1  0.192351  0.938619  0.543185  1
  Fe  Fe111  1  0.148193  0.153473  0.577483  1
  Fe  Fe112  1  0.601219  0.471047  0.552683  1
  Fe  Fe113  1  0.496778  0.855191  0.562448  1
  Fe  Fe114  1  0.617497  0.320074  0.520261  1
  Fe  Fe115  1  0.815974  0.507671  0.568541  1
  Fe  Fe116  1  0.926836  0.986482  0.519676  1
  Fe  Fe117  1  0.040566  0.643845  0.513655  1
  Fe  Fe118  1  0.871964  0.009786  0.572696  1
  Fe  Fe119  1  0.105139  0.693451  0.559950  1
  Fe  Fe120  1  0.254120  0.092444  0.524098  1
  Fe  Fe121  1  0.519871  0.320989  0.564722  1
  Fe  Fe122  1  0.541987  0.770197  0.518188  1
  Fe  Fe123  1  0.526623  0.024349  0.552884  1
  Fe  Fe124  1  0.929974  0.420964  0.520939  1
  Fe  Fe125  1  0.800243  0.715784  0.557055  1
  Fe  Fe126  1  0.324831  0.392075  0.555565  1
  Fe  Fe127  1  0.733032  0.029098  0.540407  1
  Fe  Fe128  1  0.021094  0.871046  0.564953  1
  Fe  Fe129  1  0.969921  0.139185  0.591666  1
  Fe  Fe130  1  0.403160  0.555763  0.560471  1
  Fe  Fe131  1  0.429798  0.962945  0.511645  1
  Fe  Fe132  1  0.428219  0.206384  0.534030  1
  Fe  Fe133  1  0.749042  0.471634  0.520458  1
  Fe  Fe134  1  0.679471  0.862547  0.552236  1
  Fe  Fe135  1  0.039109  0.515084  0.553469  1
  Fe  Fe136  1  0.679698  0.025390  0.588998  1
  Fe  Fe137  1  0.956169  0.670170  0.582431  1
  Fe  Fe138  1  0.049935  0.067543  0.544253  1
  Fe  Fe139  1  0.441969  0.408000  0.518256  1
  Fe  Fe140  1  0.366465  0.774237  0.539786  1
  Fe  Fe141  1  0.347599  0.039399  0.565867  1
  Fe  Fe142  1  0.769918  0.338920  0.553998  1
  Fe  Fe143  1  0.637651  0.679640  0.566392  1
  Fe  Fe144  1  0.979272  0.330150  0.564678  1
  Fe  Fe145  1  0.805498  0.134260  0.623011  1
  Fe  Fe146  1  0.108201  0.789912  0.610726  1
  Fe  Fe147  1  0.093299  0.082574  0.632251  1
  Fe  Fe148  1  0.467302  0.426030  0.600243  1
  Fe  Fe149  1  0.375874  0.757866  0.638704  1
  Fe  Fe150  1  0.499701  0.163340  0.590464  1
  Fe  Fe151  1  0.757457  0.348085  0.646640  1
  Fe  Fe152  1  0.841710  0.845408  0.589275  1
  Fe  Fe153  1  0.153699  0.395812  0.582233  1
  Fe  Fe154  1  0.787865  0.953200  0.628161  1
  Fe  Fe155  1  0.095978  0.601610  0.609712  1
  Fe  Fe156  1  0.143276  0.973483  0.591117  1
  Fe  Fe157  1  0.489032  0.243393  0.637673  1
  Fe  Fe158  1  0.440249  0.710433  0.586698  1
  Fe  Fe159  1  0.497117  0.983650  0.599457  1
  Fe  Fe160  1  0.849442  0.317012  0.601352  1
  Fe  Fe161  1  0.793633  0.653958  0.605905  1
  Fe  Fe162  1  0.050555  0.284337  0.609959  1
  Fe  Fe163  1  0.617205  0.070626  0.634943  1
  Fe  Fe164  1  0.935322  0.763123  0.628202  1
  Fe  Fe165  1  0.938076  0.044017  0.657173  1
  Fe  Fe166  1  0.259496  0.498556  0.618763  1
  Fe  Fe167  1  0.332793  0.877814  0.592948  1
  Fe  Fe168  1  0.282646  0.042853  0.616577  1
  Fe  Fe169  1  0.665766  0.419764  0.597287  1
  Fe  Fe170  1  0.658544  0.831895  0.597539  1
  Fe  Fe171  1  0.965228  0.482928  0.598133  1
  Fe  Fe172  1  0.516105  0.840488  0.667163  1
  Fe  Fe173  1  0.831314  0.506618  0.665758  1
  Fe  Fe174  1  0.969723  0.957252  0.611542  1
  Fe  Fe175  1  0.343963  0.299486  0.596454  1
  Fe  Fe176  1  0.274866  0.671091  0.600818  1
  Fe  Fe177  1  0.225598  0.896493  0.642211  1
  Fe  Fe178  1  0.646963  0.249431  0.610166  1
  Fe  Fe179  1  0.643124  0.552402  0.635178  1
  Fe  Fe180  1  0.933714  0.229170  0.642734  1
  Fe  Fe181  1  0.640500  0.965305  0.679361  1
  Fe  Fe182  1  0.928522  0.646988  0.673250  1
  Fe  Fe183  1  0.983730  0.915970  0.702384  1
  Fe  Fe184  1  0.360725  0.297586  0.682385  1
  Fe  Fe185  1  0.284414  0.485210  0.676441  1
  Fe  Fe186  1  0.346735  1.001473  0.667153  1
  Fe  Fe187  1  0.544018  0.299581  0.693635  1
  Fe  Fe188  1  0.713476  0.684458  0.666435  1
  Fe  Fe189  1  0.025196  0.359125  0.665555  1
  Fe  Fe190  1  0.651344  0.805942  0.703560  1
  Fe  Fe191  1  0.957005  0.488412  0.701055  1
  Fe  Fe192  1  0.035445  0.887907  0.653978  1
  Fe  Fe193  1  0.312855  0.137196  0.701998  1
  Fe  Fe194  1  0.421259  0.569220  0.634130  1
  Fe  Fe195  1  0.323383  0.830396  0.684287  1
  Fe  Fe196  1  0.661986  0.215369  0.660999  1
  Fe  Fe197  1  0.644915  0.480957  0.681461  1
  Fe  Fe198  1  0.032827  0.174532  0.683803  1
  Fe  Fe199  1  0.473643  0.956710  0.705387  1
  Fe  Fe200  1  0.811020  0.678648  0.708786  1
  Fe  Fe201  1  0.806442  0.887441  0.721967  1
  Fe  Fe202  1  0.178989  0.328549  0.694473  1
  Fe  Fe203  1  0.235403  0.668706  0.649422  1
  Fe  Fe204  1  0.153751  0.007660  0.681127  1
  Fe  Fe205  1  0.567662  0.390842  0.643309  1
  Fe  Fe206  1  0.540351  0.648190  0.670760  1
  Fe  Fe207  1  0.874395  0.304334  0.687642  1
  Fe  Fe208  1  0.477822  0.751402  0.711155  1
  Fe  Fe209  1  0.777064  0.478007  0.715246  1
  Fe  Fe210  1  0.836208  0.857717  0.674132  1
  Fe  Fe211  1  0.199452  0.180444  0.664064  1
  Fe  Fe212  1  0.113851  0.521696  0.667325  1
  Fe  Fe213  1  0.142913  0.808303  0.688083  1
  Fe  Fe214  1  0.489427  0.132972  0.680055  1
  Fe  Fe215  1  0.461897  0.465005  0.681339  1
  Fe  Fe216  1  0.881174  0.081492  0.705526  1
  P  P217  1  0.052916  0.455608  0.334679  1
  P  P218  1  0.433260  0.051081  0.338097  1
  P  P219  1  0.472369  0.543861  0.311087  1
  P  P220  1  0.755997  0.786399  0.350256  1
  P  P221  1  0.898299  0.254627  0.312447  1
  P  P222  1  0.793236  0.500362  0.332723  1
  P  P223  1  0.198046  0.868436  0.312231  1
  P  P224  1  0.155047  0.148528  0.328343  1
  P  P225  1  0.472949  0.808269  0.318385  1
  P  P226  1  0.988747  0.372820  0.426351  1
  P  P227  1  0.302827  0.004339  0.430681  1
  P  P228  1  0.438958  0.370789  0.388704  1
  P  P229  1  0.640442  0.704067  0.433540  1
  P  P230  1  0.715771  0.092663  0.385110  1
  P  P231  1  0.665597  0.339388  0.410335  1
  P  P232  1  0.077522  0.699965  0.388761  1
  P  P233  1  0.078803  0.063826  0.418579  1
  P  P234  1  0.309421  0.658255  0.416661  1
  P  P235  1  1.001091  0.251856  0.517894  1
  P  P236  1  0.279891  0.902250  0.503896  1
  P  P237  1  0.295021  0.250988  0.466837  1
  P  P238  1  0.602508  0.608322  0.523203  1
  P  P239  1  0.629921  0.981182  0.447487  1
  P  P240  1  0.675426  0.212862  0.484562  1
  P  P241  1  0.942224  0.631257  0.438697  1
  P  P242  1  0.009915  0.923337  0.475535  1
  P  P243  1  0.224812  0.579655  0.501227  1
  P  P244  1  0.783741  0.169374  0.577443  1
  P  P245  1  0.212631  0.804184  0.569754  1
  P  P246  1  0.268115  0.223109  0.554005  1
  P  P247  1  0.546390  0.575202  0.593648  1
  P  P248  1  0.603657  0.927395  0.514744  1
  P  P249  1  0.589278  0.167258  0.544312  1
  P  P250  1  0.880531  0.591004  0.531769  1
  P  P251  1  0.857667  0.860952  0.540088  1
  P  P252  1  0.224480  0.548524  0.569685  1
  P  P253  1  0.764302  0.059862  0.667050  1
  P  P254  1  0.068433  0.695532  0.654988  1
  P  P255  1  0.216963  0.214354  0.620015  1
  P  P256  1  0.373840  0.388838  0.638916  1
  P  P257  1  0.503201  0.829715  0.617331  1
  P  P258  1  0.440746  0.083837  0.634337  1
  P  P259  1  0.813171  0.486271  0.618495  1
  P  P260  1  0.761693  0.789863  0.633061  1
  P  P261  1  0.090789  0.441163  0.627955  1
  P  P262  1  0.638478  0.967402  0.728990  1
  P  P263  1  0.978300  0.644866  0.723198  1
  P  P264  1  0.053827  0.062699  0.723310  1
  P  P265  1  0.294841  0.275511  0.730408  1
  P  P266  1  0.371224  0.635353  0.681734  1
  P  P267  1  0.298343  0.978859  0.716937  1
  P  P268  1  0.713301  0.309870  0.702776  1
  P  P269  1  0.638804  0.627930  0.714148  1
  P  P270  1  0.021184  0.320533  0.716687  1
