# generated using pymatgen
data_Fe3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37715079
_cell_length_b   33.12387472
_cell_length_c   53.90077343
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3P
_chemical_formula_sum   'Fe216 P72'
_cell_volume   7814.97582272
_cell_formula_units_Z   72
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  0.006648  0.647012  0.339175  1
  Fe  Fe2  1  0.003930  0.262724  0.385672  1
  Fe  Fe3  1  0.997338  0.026135  0.292387  1
  Fe  Fe4  1  0.497828  0.644145  0.374948  1
  Fe  Fe5  1  0.496285  0.259330  0.421059  1
  Fe  Fe6  1  0.494236  0.028868  0.325937  1
  Fe  Fe7  1  0.503886  0.980018  0.291092  1
  Fe  Fe8  1  0.498609  0.590713  0.337787  1
  Fe  Fe9  1  0.498414  0.206195  0.384185  1
  Fe  Fe10  1  0.006284  0.970853  0.323454  1
  Fe  Fe11  1  0.007660  0.587153  0.372987  1
  Fe  Fe12  1  0.006699  0.202677  0.419137  1
  Fe  Fe13  1  0.745206  0.912735  0.305290  1
  Fe  Fe14  1  0.744477  0.526995  0.352830  1
  Fe  Fe15  1  0.744548  0.142264  0.399437  1
  Fe  Fe16  1  0.758665  0.852991  0.394735  1
  Fe  Fe17  1  0.752293  0.620228  0.297977  1
  Fe  Fe18  1  0.753590  0.237051  0.345926  1
  Fe  Fe19  1  0.758989  0.612030  0.412114  1
  Fe  Fe20  1  0.756932  0.382847  0.314979  1
  Fe  Fe21  1  0.758522  0.996448  0.363504  1
  Fe  Fe22  1  0.743375  0.707737  0.358224  1
  Fe  Fe23  1  0.743082  0.323033  0.405675  1
  Fe  Fe24  1  0.736411  0.090718  0.310739  1
  Fe  Fe25  1  0.272371  0.721369  0.382779  1
  Fe  Fe26  1  0.264572  0.492527  0.287528  1
  Fe  Fe27  1  0.272761  0.105931  0.334527  1
  Fe  Fe28  1  0.233989  0.573779  0.420398  1
  Fe  Fe29  1  0.233883  0.344455  0.324158  1
  Fe  Fe30  1  0.231264  0.957924  0.372402  1
  Fe  Fe31  1  0.231724  0.891150  0.386137  1
  Fe  Fe32  1  0.241730  0.661243  0.292191  1
  Fe  Fe33  1  0.230908  0.276594  0.337911  1
  Fe  Fe34  1  0.270377  0.743887  0.423986  1
  Fe  Fe35  1  0.270431  0.513729  0.328835  1
  Fe  Fe36  1  0.272347  0.128924  0.375397  1
  Fe  Fe37  1  0.511885  0.836944  0.316639  1
  Fe  Fe38  1  0.504891  0.455213  0.362538  1
  Fe  Fe39  1  0.507542  0.070512  0.410194  1
  Fe  Fe40  1  0.993841  0.835750  0.348938  1
  Fe  Fe41  1  0.995713  0.451447  0.397946  1
  Fe  Fe42  1  0.994289  0.221753  0.304787  1
  Fe  Fe43  1  0.996506  0.783229  0.315113  1
  Fe  Fe44  1  0.995015  0.398745  0.360038  1
  Fe  Fe45  1  0.996993  0.013699  0.408140  1
  Fe  Fe46  1  0.509611  0.779113  0.347190  1
  Fe  Fe47  1  0.504974  0.394875  0.395541  1
  Fe  Fe48  1  0.516562  0.163051  0.302771  1
  Fe  Fe49  1  0.248689  0.719263  0.328754  1
  Fe  Fe50  1  0.241902  0.334665  0.375513  1
  Fe  Fe51  1  0.244196  0.949753  0.423479  1
  Fe  Fe52  1  0.258589  0.661212  0.418964  1
  Fe  Fe53  1  0.253627  0.431377  0.322568  1
  Fe  Fe54  1  0.260232  0.045561  0.370951  1
  Fe  Fe55  1  0.258828  0.804027  0.387295  1
  Fe  Fe56  1  0.258096  0.573757  0.291618  1
  Fe  Fe57  1  0.259707  0.188414  0.339792  1
  Fe  Fe58  1  0.236800  0.898843  0.334019  1
  Fe  Fe59  1  0.245542  0.515391  0.383128  1
  Fe  Fe60  1  0.232439  0.288963  0.290112  1
  Fe  Fe61  1  0.768389  0.912581  0.358403  1
  Fe  Fe62  1  0.770718  0.529040  0.406792  1
  Fe  Fe63  1  0.754593  0.299377  0.310613  1
  Fe  Fe64  1  0.732963  0.765736  0.396373  1
  Fe  Fe65  1  0.741305  0.537634  0.300640  1
  Fe  Fe66  1  0.745212  0.151736  0.346993  1
  Fe  Fe67  1  0.734536  0.699199  0.410455  1
  Fe  Fe68  1  0.737349  0.469905  0.315225  1
  Fe  Fe69  1  0.732203  0.085030  0.361897  1
  Fe  Fe70  1  0.777424  0.702537  0.304182  1
  Fe  Fe71  1  0.768462  0.321005  0.351341  1
  Fe  Fe72  1  0.770006  0.935957  0.399733  1
  Fe  Fe73  1  0.005677  0.493539  0.481849  1
  Fe  Fe74  1  0.006730  0.108887  0.529191  1
  Fe  Fe75  1  0.006436  0.877998  0.434230  1
  Fe  Fe76  1  0.495813  0.489943  0.516922  1
  Fe  Fe77  1  0.496808  0.105518  0.564268  1
  Fe  Fe78  1  0.497063  0.874604  0.469309  1
  Fe  Fe79  1  0.496808  0.821292  0.432147  1
  Fe  Fe80  1  0.495813  0.436867  0.479493  1
  Fe  Fe81  1  0.497063  0.052206  0.527106  1
  Fe  Fe82  1  0.006730  0.817923  0.467224  1
  Fe  Fe83  1  0.005677  0.433271  0.514566  1
  Fe  Fe84  1  0.006436  0.048812  0.562185  1
  Fe  Fe85  1  0.744452  0.757577  0.447679  1
  Fe  Fe86  1  0.743989  0.372929  0.494579  1
  Fe  Fe87  1  0.744007  0.988344  0.542608  1
  Fe  Fe88  1  0.758224  0.699473  0.537879  1
  Fe  Fe89  1  0.758268  0.468766  0.442288  1
  Fe  Fe90  1  0.758906  0.084107  0.489635  1
  Fe  Fe91  1  0.758268  0.458044  0.554127  1
  Fe  Fe92  1  0.758224  0.227337  0.458536  1
  Fe  Fe93  1  0.758906  0.842703  0.506780  1
  Fe  Fe94  1  0.743989  0.553881  0.501836  1
  Fe  Fe95  1  0.744452  0.169233  0.548736  1
  Fe  Fe96  1  0.744007  0.938466  0.453807  1
  Fe  Fe97  1  0.270093  0.567552  0.525633  1
  Fe  Fe98  1  0.269617  0.336771  0.429609  1
  Fe  Fe99  1  0.270239  0.952153  0.477619  1
  Fe  Fe100  1  0.233582  0.419865  0.562317  1
  Fe  Fe101  1  0.233165  0.188996  0.467039  1
  Fe  Fe102  1  0.233559  0.804471  0.515313  1
  Fe  Fe103  1  0.233165  0.737813  0.529376  1
  Fe  Fe104  1  0.233582  0.506945  0.434098  1
  Fe  Fe105  1  0.233559  0.122339  0.481102  1
  Fe  Fe106  1  0.269617  0.590039  0.566806  1
  Fe  Fe107  1  0.270093  0.359258  0.470782  1
  Fe  Fe108  1  0.270239  0.974657  0.518796  1
  Fe  Fe109  1  0.506998  0.685928  0.458428  1
  Fe  Fe110  1  0.506430  0.301147  0.505029  1
  Fe  Fe111  1  0.506699  0.916584  0.553361  1
  Fe  Fe112  1  0.996820  0.682406  0.493509  1
  Fe  Fe113  1  0.996756  0.297562  0.540105  1
  Fe  Fe114  1  0.997220  0.066909  0.445106  1
  Fe  Fe115  1  0.996756  0.629248  0.456310  1
  Fe  Fe116  1  0.996820  0.244404  0.502906  1
  Fe  Fe117  1  0.997220  0.859901  0.551309  1
  Fe  Fe118  1  0.506430  0.625663  0.491387  1
  Fe  Fe119  1  0.506998  0.240882  0.537987  1
  Fe  Fe120  1  0.506699  0.010226  0.443054  1
  Fe  Fe121  1  0.244098  0.565315  0.471552  1
  Fe  Fe122  1  0.244093  0.180512  0.518375  1
  Fe  Fe123  1  0.244305  0.796042  0.566697  1
  Fe  Fe124  1  0.258028  0.507327  0.561272  1
  Fe  Fe125  1  0.258175  0.276443  0.465516  1
  Fe  Fe126  1  0.258723  0.891858  0.513794  1
  Fe  Fe127  1  0.258175  0.650367  0.530899  1
  Fe  Fe128  1  0.258028  0.419483  0.435143  1
  Fe  Fe129  1  0.258723  0.034952  0.482621  1
  Fe  Fe130  1  0.244093  0.746298  0.478040  1
  Fe  Fe131  1  0.244098  0.361495  0.524863  1
  Fe  Fe132  1  0.244305  0.130768  0.429718  1
  Fe  Fe133  1  0.769962  0.759921  0.501771  1
  Fe  Fe134  1  0.769936  0.375204  0.548572  1
  Fe  Fe135  1  0.770185  0.144404  0.453493  1
  Fe  Fe136  1  0.733313  0.612187  0.539304  1
  Fe  Fe137  1  0.733376  0.381346  0.443331  1
  Fe  Fe138  1  0.733538  0.996721  0.491175  1
  Fe  Fe139  1  0.733376  0.545464  0.553084  1
  Fe  Fe140  1  0.733313  0.314623  0.457111  1
  Fe  Fe141  1  0.733538  0.930089  0.505240  1
  Fe  Fe142  1  0.769936  0.551606  0.447843  1
  Fe  Fe143  1  0.769962  0.166889  0.494644  1
  Fe  Fe144  1  0.770185  0.782405  0.542922  1
  Fe  Fe145  1  0.007660  0.339657  0.623428  1
  Fe  Fe146  1  0.006284  0.955957  0.672961  1
  Fe  Fe147  1  0.006699  0.724133  0.577278  1
  Fe  Fe148  1  0.498609  0.336097  0.658628  1
  Fe  Fe149  1  0.503886  0.946792  0.705323  1
  Fe  Fe150  1  0.498414  0.720615  0.612230  1
  Fe  Fe151  1  0.496285  0.667480  0.575356  1
  Fe  Fe152  1  0.497828  0.282665  0.621467  1
  Fe  Fe153  1  0.494236  0.897942  0.670478  1
  Fe  Fe154  1  0.003930  0.664086  0.610743  1
  Fe  Fe155  1  0.006648  0.279798  0.657240  1
  Fe  Fe156  1  0.997338  0.900675  0.704028  1
  Fe  Fe157  1  0.743082  0.603777  0.590740  1
  Fe  Fe158  1  0.743375  0.219073  0.638191  1
  Fe  Fe159  1  0.736411  0.836092  0.685677  1
  Fe  Fe160  1  0.756932  0.543963  0.681436  1
  Fe  Fe161  1  0.758989  0.314780  0.584301  1
  Fe  Fe162  1  0.758522  0.930362  0.632912  1
  Fe  Fe163  1  0.752293  0.306582  0.698438  1
  Fe  Fe164  1  0.758665  0.073819  0.601680  1
  Fe  Fe165  1  0.753590  0.689759  0.650489  1
  Fe  Fe166  1  0.744477  0.399815  0.643585  1
  Fe  Fe167  1  0.745206  0.014074  0.691126  1
  Fe  Fe168  1  0.744548  0.784545  0.596978  1
  Fe  Fe169  1  0.270431  0.413081  0.667581  1
  Fe  Fe170  1  0.270377  0.182923  0.572429  1
  Fe  Fe171  1  0.272347  0.797886  0.621018  1
  Fe  Fe172  1  0.241730  0.265567  0.704224  1
  Fe  Fe173  1  0.231724  0.035660  0.610278  1
  Fe  Fe174  1  0.230908  0.650216  0.658504  1
  Fe  Fe175  1  0.233883  0.582355  0.672257  1
  Fe  Fe176  1  0.233989  0.353031  0.576017  1
  Fe  Fe177  1  0.231264  0.968886  0.624013  1
  Fe  Fe178  1  0.264572  0.434283  0.708887  1
  Fe  Fe179  1  0.272371  0.205441  0.613636  1
  Fe  Fe180  1  0.272761  0.820879  0.661888  1
  Fe  Fe181  1  0.504974  0.531935  0.600874  1
  Fe  Fe182  1  0.509611  0.147697  0.649225  1
  Fe  Fe183  1  0.516562  0.763759  0.693644  1
  Fe  Fe184  1  0.995015  0.528065  0.636377  1
  Fe  Fe185  1  0.996506  0.143581  0.681302  1
  Fe  Fe186  1  0.996993  0.913111  0.588275  1
  Fe  Fe187  1  0.995713  0.475363  0.598469  1
  Fe  Fe188  1  0.993841  0.091060  0.647477  1
  Fe  Fe189  1  0.994289  0.705056  0.691628  1
  Fe  Fe190  1  0.504891  0.471597  0.633878  1
  Fe  Fe191  1  0.511885  0.089866  0.679776  1
  Fe  Fe192  1  0.507542  0.856298  0.586221  1
  Fe  Fe193  1  0.245542  0.411419  0.613287  1
  Fe  Fe194  1  0.236800  0.027967  0.662396  1
  Fe  Fe195  1  0.232439  0.637847  0.706303  1
  Fe  Fe196  1  0.258096  0.353053  0.704798  1
  Fe  Fe197  1  0.258828  0.122783  0.609120  1
  Fe  Fe198  1  0.259707  0.738396  0.656624  1
  Fe  Fe199  1  0.253627  0.495433  0.673847  1
  Fe  Fe200  1  0.258589  0.265598  0.577452  1
  Fe  Fe201  1  0.260232  0.881249  0.625464  1
  Fe  Fe202  1  0.241902  0.592144  0.620902  1
  Fe  Fe203  1  0.248689  0.207547  0.667661  1
  Fe  Fe204  1  0.244196  0.977057  0.572937  1
  Fe  Fe205  1  0.768462  0.605805  0.645074  1
  Fe  Fe206  1  0.777424  0.224273  0.692233  1
  Fe  Fe207  1  0.770006  0.990853  0.596682  1
  Fe  Fe208  1  0.737349  0.456905  0.681191  1
  Fe  Fe209  1  0.734536  0.227611  0.585960  1
  Fe  Fe210  1  0.732203  0.841780  0.634518  1
  Fe  Fe211  1  0.741305  0.389176  0.695775  1
  Fe  Fe212  1  0.732963  0.161074  0.600042  1
  Fe  Fe213  1  0.745212  0.775074  0.649422  1
  Fe  Fe214  1  0.770718  0.397770  0.589623  1
  Fe  Fe215  1  0.768389  0.014229  0.638012  1
  Fe  Fe216  1  0.754593  0.627433  0.685802  1
  P  P217  1  0.498612  0.957334  0.333521  1
  P  P218  1  0.505066  0.574095  0.381243  1
  P  P219  1  0.499208  0.346969  0.284182  1
  P  P220  1  0.999909  0.807304  0.423905  1
  P  P221  1  0.001894  0.577021  0.330185  1
  P  P222  1  1.001246  0.192133  0.376094  1
  P  P223  1  1.000104  0.658066  0.382559  1
  P  P224  1  0.994648  0.429351  0.285533  1
  P  P225  1  1.000079  0.042976  0.335031  1
  P  P226  1  0.505937  0.659741  0.331380  1
  P  P227  1  0.501755  0.275950  0.377157  1
  P  P228  1  0.503955  0.891137  0.425581  1
  P  P229  1  0.005830  0.765601  0.357314  1
  P  P230  1  0.002863  0.381693  0.403949  1
  P  P231  1  0.015181  0.148326  0.306068  1
  P  P232  1  0.503683  0.767771  0.302024  1
  P  P233  1  0.498167  0.384818  0.352482  1
  P  P234  1  0.499929  0.999641  0.399788  1
  P  P235  1  0.497357  0.849969  0.358718  1
  P  P236  1  0.498894  0.465465  0.406096  1
  P  P237  1  0.495840  0.235596  0.308050  1
  P  P238  1  0.014982  0.852600  0.303624  1
  P  P239  1  0.003917  0.468693  0.354537  1
  P  P240  1  0.004625  0.083807  0.401261  1
  P  P241  1  0.504307  0.804798  0.475953  1
  P  P242  1  0.503558  0.420158  0.523069  1
  P  P243  1  0.504119  0.189362  0.427762  1
  P  P244  1  0.998970  0.653497  0.567234  1
  P  P245  1  0.998673  0.422778  0.471314  1
  P  P246  1  0.999613  0.038165  0.518952  1
  P  P247  1  0.998673  0.504032  0.525101  1
  P  P248  1  0.998970  0.273312  0.429181  1
  P  P249  1  0.999613  0.888645  0.477463  1
  P  P250  1  0.503558  0.506652  0.473346  1
  P  P251  1  0.504307  0.122012  0.520462  1
  P  P252  1  0.504119  0.737448  0.568653  1
  P  P253  1  0.004027  0.612503  0.499975  1
  P  P254  1  0.004628  0.227734  0.546619  1
  P  P255  1  0.004262  0.997004  0.451819  1
  P  P256  1  0.499274  0.615181  0.448237  1
  P  P257  1  0.499267  0.230421  0.494811  1
  P  P258  1  0.499675  0.845901  0.543072  1
  P  P259  1  0.499267  0.696389  0.501604  1
  P  P260  1  0.499274  0.311629  0.548178  1
  P  P261  1  0.499675  0.080909  0.453343  1
  P  P262  1  0.004628  0.699076  0.449796  1
  P  P263  1  0.004027  0.314307  0.496440  1
  P  P264  1  0.004262  0.929806  0.544596  1
  P  P265  1  0.501755  0.650860  0.619258  1
  P  P266  1  0.505937  0.267069  0.665035  1
  P  P267  1  0.503955  0.035673  0.570835  1
  P  P268  1  0.994648  0.497458  0.710882  1
  P  P269  1  1.000104  0.268743  0.613856  1
  P  P270  1  1.000079  0.883834  0.661384  1
  P  P271  1  0.001894  0.349789  0.666230  1
  P  P272  1  0.999909  0.119506  0.572510  1
  P  P273  1  1.001246  0.734677  0.620321  1
  P  P274  1  0.505066  0.352715  0.615172  1
  P  P275  1  0.498612  0.969476  0.662894  1
  P  P276  1  0.499208  0.579841  0.712233  1
  P  P277  1  0.003917  0.458117  0.641878  1
  P  P278  1  0.014982  0.074210  0.692791  1
  P  P279  1  0.004625  0.843003  0.595154  1
  P  P280  1  0.498894  0.461345  0.590319  1
  P  P281  1  0.497357  0.076841  0.637697  1
  P  P282  1  0.495840  0.691214  0.688365  1
  P  P283  1  0.498167  0.541992  0.643933  1
  P  P284  1  0.503683  0.159039  0.694392  1
  P  P285  1  0.499929  0.927169  0.596627  1
  P  P286  1  0.002863  0.545117  0.592466  1
  P  P287  1  0.005830  0.161209  0.639101  1
  P  P288  1  0.015181  0.778484  0.690347  1
