# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.09379189
_cell_length_b   16.29309611
_cell_length_c   45.81418209
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.94473407
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe216 P108'
_cell_volume   8236.48184452
_cell_formula_units_Z   108
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  0.487802  0.532851  0.303543  1
  Fe  Fe2  1  0.014103  0.482292  0.373761  1
  Fe  Fe3  1  0.821135  0.199518  0.303543  1
  Fe  Fe4  1  0.251282  0.510227  0.336778  1
  Fe  Fe5  1  0.347437  0.148959  0.373761  1
  Fe  Fe6  1  0.154468  0.866184  0.303543  1
  Fe  Fe7  1  0.584616  0.176893  0.336778  1
  Fe  Fe8  1  0.680770  0.815625  0.373761  1
  Fe  Fe9  1  0.917949  0.843560  0.336778  1
  Fe  Fe10  1  0.642850  0.358084  0.358229  1
  Fe  Fe11  1  0.884901  0.374920  0.324526  1
  Fe  Fe12  1  0.976183  0.024751  0.358229  1
  Fe  Fe13  1  0.121321  0.395092  0.292268  1
  Fe  Fe14  1  0.218235  0.041587  0.324526  1
  Fe  Fe15  1  0.309517  0.691417  0.358229  1
  Fe  Fe16  1  0.454654  0.061759  0.292268  1
  Fe  Fe17  1  0.551568  0.708253  0.324526  1
  Fe  Fe18  1  0.787987  0.728425  0.292268  1
  Fe  Fe19  1  0.479299  0.310539  0.305086  1
  Fe  Fe20  1  0.011539  0.289856  0.372663  1
  Fe  Fe21  1  0.812632  0.977206  0.305086  1
  Fe  Fe22  1  0.247463  0.295776  0.335591  1
  Fe  Fe23  1  0.344873  0.956523  0.372663  1
  Fe  Fe24  1  0.145965  0.643873  0.305086  1
  Fe  Fe25  1  0.580797  0.962443  0.335591  1
  Fe  Fe26  1  0.678206  0.623189  0.372663  1
  Fe  Fe27  1  0.914130  0.629109  0.335591  1
  Fe  Fe28  1  0.655589  0.429673  0.306468  1
  Fe  Fe29  1  0.203798  0.395102  0.381661  1
  Fe  Fe30  1  0.988923  0.096340  0.306468  1
  Fe  Fe31  1  0.434134  0.413882  0.343969  1
  Fe  Fe32  1  0.537131  0.061769  0.381661  1
  Fe  Fe33  1  0.322256  0.763006  0.306468  1
  Fe  Fe34  1  0.767467  0.080549  0.343969  1
  Fe  Fe35  1  0.870465  0.728436  0.381661  1
  Fe  Fe36  1  0.100801  0.747216  0.343969  1
  Fe  Fe37  1  0.794214  0.251703  0.353708  1
  Fe  Fe38  1  0.035721  0.263467  0.316721  1
  Fe  Fe39  1  0.127547  0.918370  0.353708  1
  Fe  Fe40  1  0.269828  0.282504  0.281886  1
  Fe  Fe41  1  0.369054  0.930134  0.316721  1
  Fe  Fe42  1  0.460881  0.585037  0.353708  1
  Fe  Fe43  1  0.603162  0.949171  0.281886  1
  Fe  Fe44  1  0.702388  0.596800  0.316721  1
  Fe  Fe45  1  0.936495  0.615837  0.281886  1
  Fe  Fe46  1  0.805195  0.496016  0.353542  1
  Fe  Fe47  1  0.032226  0.512367  0.318077  1
  Fe  Fe48  1  0.138529  0.162683  0.353542  1
  Fe  Fe49  1  0.240318  0.530452  0.281457  1
  Fe  Fe50  1  0.365560  0.179034  0.318077  1
  Fe  Fe51  1  0.471862  0.829350  0.353542  1
  Fe  Fe52  1  0.573652  0.197119  0.281457  1
  Fe  Fe53  1  0.698893  0.845700  0.318077  1
  Fe  Fe54  1  0.906985  0.863785  0.281457  1
  Fe  Fe55  1  0.788648  0.464921  0.412831  1
  Fe  Fe56  1  0.320781  0.430178  0.485882  1
  Fe  Fe57  1  0.121981  0.131588  0.412831  1
  Fe  Fe58  1  0.553654  0.447112  0.448978  1
  Fe  Fe59  1  0.654114  0.096845  0.485882  1
  Fe  Fe60  1  0.455315  0.798254  0.412831  1
  Fe  Fe61  1  0.886988  0.113778  0.448978  1
  Fe  Fe62  1  0.987447  0.763512  0.485882  1
  Fe  Fe63  1  0.220321  0.780445  0.448978  1
  Fe  Fe64  1  0.952487  0.316116  0.472871  1
  Fe  Fe65  1  0.184806  0.332342  0.436032  1
  Fe  Fe66  1  0.285821  0.982783  0.472871  1
  Fe  Fe67  1  0.416724  0.350082  0.399841  1
  Fe  Fe68  1  0.518139  0.999009  0.436032  1
  Fe  Fe69  1  0.619154  0.649450  0.472871  1
  Fe  Fe70  1  0.750057  0.016749  0.399841  1
  Fe  Fe71  1  0.851472  0.665675  0.436032  1
  Fe  Fe72  1  0.083391  0.683416  0.399841  1
  Fe  Fe73  1  0.779354  0.274314  0.409449  1
  Fe  Fe74  1  0.315495  0.241326  0.483450  1
  Fe  Fe75  1  0.112687  0.940981  0.409449  1
  Fe  Fe76  1  0.547795  0.258192  0.446400  1
  Fe  Fe77  1  0.648829  0.907993  0.483450  1
  Fe  Fe78  1  0.446021  0.607648  0.409449  1
  Fe  Fe79  1  0.881128  0.924859  0.446400  1
  Fe  Fe80  1  0.982162  0.574659  0.483450  1
  Fe  Fe81  1  0.214461  0.591525  0.446400  1
  Fe  Fe82  1  0.969649  0.378982  0.418257  1
  Fe  Fe83  1  0.506168  0.346269  0.492376  1
  Fe  Fe84  1  0.302982  0.045649  0.418257  1
  Fe  Fe85  1  0.737705  0.362705  0.455340  1
  Fe  Fe86  1  0.839502  0.012935  0.492376  1
  Fe  Fe87  1  0.636315  0.712316  0.418257  1
  Fe  Fe88  1  0.071039  0.029372  0.455340  1
  Fe  Fe89  1  0.172835  0.679602  0.492376  1
  Fe  Fe90  1  0.404372  0.696038  0.455340  1
  Fe  Fe91  1  0.095336  0.201825  0.464451  1
  Fe  Fe92  1  0.328071  0.218233  0.427670  1
  Fe  Fe93  1  0.428669  0.868492  0.464451  1
  Fe  Fe94  1  0.562844  0.235219  0.390939  1
  Fe  Fe95  1  0.661405  0.884900  0.427670  1
  Fe  Fe96  1  0.762003  0.535159  0.464451  1
  Fe  Fe97  1  0.896177  0.901886  0.390939  1
  Fe  Fe98  1  0.994738  0.551567  0.427670  1
  Fe  Fe99  1  0.229511  0.568552  0.390939  1
  Fe  Fe100  1  0.104499  0.447984  0.467006  1
  Fe  Fe101  1  0.335294  0.465352  0.430074  1
  Fe  Fe102  1  0.437833  0.114650  0.467006  1
  Fe  Fe103  1  0.566262  0.481289  0.393726  1
  Fe  Fe104  1  0.668628  0.132019  0.430074  1
  Fe  Fe105  1  0.771166  0.781317  0.467006  1
  Fe  Fe106  1  0.899596  0.147956  0.393726  1
  Fe  Fe107  1  0.001961  0.798685  0.430074  1
  Fe  Fe108  1  0.232929  0.814623  0.393726  1
  Fe  Fe109  1  0.090025  0.412455  0.523074  1
  Fe  Fe110  1  0.619931  0.382346  0.597397  1
  Fe  Fe111  1  0.423358  0.079122  0.523074  1
  Fe  Fe112  1  0.857689  0.401349  0.559797  1
  Fe  Fe113  1  0.953264  0.049012  0.597397  1
  Fe  Fe114  1  0.756692  0.745788  0.523074  1
  Fe  Fe115  1  0.191022  0.068015  0.559797  1
  Fe  Fe116  1  0.286597  0.715679  0.597397  1
  Fe  Fe117  1  0.524356  0.734682  0.559797  1
  Fe  Fe118  1  0.239268  0.259122  0.578649  1
  Fe  Fe119  1  0.487170  0.283041  0.546974  1
  Fe  Fe120  1  0.572602  0.925789  0.578649  1
  Fe  Fe121  1  0.720376  0.300006  0.510101  1
  Fe  Fe122  1  0.820503  0.949708  0.546974  1
  Fe  Fe123  1  0.905935  0.592456  0.578649  1
  Fe  Fe124  1  0.053709  0.966672  0.510101  1
  Fe  Fe125  1  0.153836  0.616374  0.546974  1
  Fe  Fe126  1  0.387043  0.633339  0.510101  1
  Fe  Fe127  1  0.088156  0.223071  0.522517  1
  Fe  Fe128  1  0.615296  0.192785  0.593841  1
  Fe  Fe129  1  0.421489  0.889738  0.522517  1
  Fe  Fe130  1  0.853722  0.206947  0.559213  1
  Fe  Fe131  1  0.948630  0.859452  0.593841  1
  Fe  Fe132  1  0.754823  0.556405  0.522517  1
  Fe  Fe133  1  0.187055  0.873614  0.559213  1
  Fe  Fe134  1  0.281963  0.526119  0.593841  1
  Fe  Fe135  1  0.520388  0.540281  0.559213  1
  Fe  Fe136  1  0.273205  0.329879  0.529312  1
  Fe  Fe137  1  0.806461  0.296705  0.602796  1
  Fe  Fe138  1  0.606539  0.996546  0.529312  1
  Fe  Fe139  1  0.039386  0.313797  0.566066  1
  Fe  Fe140  1  0.139794  0.963372  0.602796  1
  Fe  Fe141  1  0.939872  0.663212  0.529312  1
  Fe  Fe142  1  0.372720  0.980464  0.566066  1
  Fe  Fe143  1  0.473128  0.630039  0.602796  1
  Fe  Fe144  1  0.706053  0.647131  0.566066  1
  Fe  Fe145  1  0.397239  0.151593  0.575356  1
  Fe  Fe146  1  0.630278  0.168471  0.538333  1
  Fe  Fe147  1  0.730573  0.818259  0.575356  1
  Fe  Fe148  1  0.863103  0.185394  0.501340  1
  Fe  Fe149  1  0.963611  0.835138  0.538333  1
  Fe  Fe150  1  0.063906  0.484926  0.575356  1
  Fe  Fe151  1  0.196436  0.852061  0.501340  1
  Fe  Fe152  1  0.296945  0.501805  0.538333  1
  Fe  Fe153  1  0.529770  0.518728  0.501340  1
  Fe  Fe154  1  0.404904  0.395286  0.578172  1
  Fe  Fe155  1  0.637309  0.412776  0.541072  1
  Fe  Fe156  1  0.738237  0.061953  0.578172  1
  Fe  Fe157  1  0.871317  0.430441  0.504132  1
  Fe  Fe158  1  0.970642  0.079442  0.541072  1
  Fe  Fe159  1  0.071570  0.728619  0.578172  1
  Fe  Fe160  1  0.204650  0.097107  0.504132  1
  Fe  Fe161  1  0.303976  0.746109  0.541072  1
  Fe  Fe162  1  0.537983  0.763774  0.504132  1
  Fe  Fe163  1  0.395692  0.364753  0.636956  1
  Fe  Fe164  1  0.928633  0.324315  0.705186  1
  Fe  Fe165  1  0.729025  0.031420  0.636956  1
  Fe  Fe166  1  0.163970  0.362888  0.672140  1
  Fe  Fe167  1  0.261966  0.990982  0.705186  1
  Fe  Fe168  1  0.062359  0.698087  0.636956  1
  Fe  Fe169  1  0.497304  0.029554  0.672140  1
  Fe  Fe170  1  0.595300  0.657648  0.705186  1
  Fe  Fe171  1  0.830637  0.696221  0.672140  1
  Fe  Fe172  1  0.552785  0.207698  0.688038  1
  Fe  Fe173  1  0.789518  0.229740  0.658630  1
  Fe  Fe174  1  0.886118  0.874365  0.688038  1
  Fe  Fe175  1  0.007413  0.242644  0.614846  1
  Fe  Fe176  1  0.122852  0.896407  0.658630  1
  Fe  Fe177  1  0.219452  0.541032  0.688038  1
  Fe  Fe178  1  0.340746  0.909310  0.614846  1
  Fe  Fe179  1  0.456185  0.563073  0.658630  1
  Fe  Fe180  1  0.674080  0.575977  0.614846  1
  Fe  Fe181  1  0.391847  0.167335  0.637671  1
  Fe  Fe182  1  0.928469  0.146037  0.703708  1
  Fe  Fe183  1  0.725180  0.834002  0.637671  1
  Fe  Fe184  1  0.164897  0.146105  0.672678  1
  Fe  Fe185  1  0.261802  0.812703  0.703708  1
  Fe  Fe186  1  0.058514  0.500669  0.637671  1
  Fe  Fe187  1  0.498231  0.812771  0.672678  1
  Fe  Fe188  1  0.595135  0.479370  0.703708  1
  Fe  Fe189  1  0.831564  0.479438  0.672678  1
  Fe  Fe190  1  0.572138  0.281844  0.640969  1
  Fe  Fe191  1  0.110898  0.243163  0.712602  1
  Fe  Fe192  1  0.905471  0.948510  0.640969  1
  Fe  Fe193  1  0.337311  0.265512  0.677621  1
  Fe  Fe194  1  0.444231  0.909829  0.712602  1
  Fe  Fe195  1  0.238805  0.615177  0.640969  1
  Fe  Fe196  1  0.670644  0.932178  0.677621  1
  Fe  Fe197  1  0.777565  0.576496  0.712602  1
  Fe  Fe198  1  0.003978  0.598845  0.677621  1
  Fe  Fe199  1  0.704758  0.100142  0.684852  1
  Fe  Fe200  1  0.929315  0.114314  0.649665  1
  Fe  Fe201  1  0.038091  0.766809  0.684852  1
  Fe  Fe202  1  0.165841  0.134246  0.612302  1
  Fe  Fe203  1  0.262648  0.780981  0.649665  1
  Fe  Fe204  1  0.371424  0.433476  0.684852  1
  Fe  Fe205  1  0.499174  0.800912  0.612302  1
  Fe  Fe206  1  0.595981  0.447647  0.649665  1
  Fe  Fe207  1  0.832508  0.467579  0.612302  1
  Fe  Fe208  1  0.719993  0.348415  0.689470  1
  Fe  Fe209  1  0.943153  0.364738  0.652714  1
  Fe  Fe210  1  0.053326  0.015081  0.689470  1
  Fe  Fe211  1  0.172279  0.378530  0.615473  1
  Fe  Fe212  1  0.276486  0.031404  0.652714  1
  Fe  Fe213  1  0.386659  0.681748  0.689470  1
  Fe  Fe214  1  0.505613  0.045197  0.615473  1
  Fe  Fe215  1  0.609819  0.698071  0.652714  1
  Fe  Fe216  1  0.838946  0.711864  0.615473  1
  P  P217  1  0.852643  0.376666  0.375251  1
  P  P218  1  0.095701  0.391883  0.340705  1
  P  P219  1  0.185976  0.043333  0.375251  1
  P  P220  1  0.334697  0.413067  0.300229  1
  P  P221  1  0.429035  0.058550  0.340705  1
  P  P222  1  0.519310  0.710000  0.375251  1
  P  P223  1  0.668031  0.079733  0.300229  1
  P  P224  1  0.762368  0.725216  0.340705  1
  P  P225  1  0.001364  0.746400  0.300229  1
  P  P226  1  0.690828  0.296435  0.311974  1
  P  P227  1  0.939426  0.311921  0.276546  1
  P  P228  1  0.024161  0.963102  0.311974  1
  P  P229  1  0.453981  0.276439  0.353708  1
  P  P230  1  0.272759  0.978587  0.276546  1
  P  P231  1  0.357495  0.629769  0.311974  1
  P  P232  1  0.787314  0.943106  0.353708  1
  P  P233  1  0.606093  0.645254  0.276546  1
  P  P234  1  0.120647  0.609772  0.353708  1
  P  P235  1  0.608956  0.499214  0.346385  1
  P  P236  1  0.840173  0.500819  0.300338  1
  P  P237  1  0.942290  0.165880  0.346385  1
  P  P238  1  0.370127  0.483143  0.381632  1
  P  P239  1  0.173506  0.167485  0.300338  1
  P  P240  1  0.275623  0.832547  0.346385  1
  P  P241  1  0.703461  0.149810  0.381632  1
  P  P242  1  0.506839  0.834152  0.300338  1
  P  P243  1  0.036794  0.816477  0.381632  1
  P  P244  1  0.157046  0.325647  0.487065  1
  P  P245  1  0.390431  0.343137  0.450196  1
  P  P246  1  0.490379  0.992314  0.487065  1
  P  P247  1  0.623285  0.361215  0.412284  1
  P  P248  1  0.723764  0.009804  0.450196  1
  P  P249  1  0.823713  0.658981  0.487065  1
  P  P250  1  0.956618  0.027882  0.412284  1
  P  P251  1  0.057097  0.676470  0.450196  1
  P  P252  1  0.289952  0.694549  0.412284  1
  P  P253  1  0.989033  0.243098  0.425156  1
  P  P254  1  0.220884  0.258715  0.388737  1
  P  P255  1  0.322366  0.909764  0.425156  1
  P  P256  1  0.756730  0.226742  0.462315  1
  P  P257  1  0.554218  0.925382  0.388737  1
  P  P258  1  0.655700  0.576431  0.425156  1
  P  P259  1  0.090063  0.893408  0.462315  1
  P  P260  1  0.887551  0.592049  0.388737  1
  P  P261  1  0.423396  0.560075  0.462315  1
  P  P262  1  0.907361  0.450957  0.456385  1
  P  P263  1  0.138094  0.467703  0.418790  1
  P  P264  1  0.240694  0.117623  0.456385  1
  P  P265  1  0.674665  0.435302  0.493350  1
  P  P266  1  0.471427  0.134370  0.418790  1
  P  P267  1  0.574027  0.784290  0.456385  1
  P  P268  1  0.007998  0.101968  0.493350  1
  P  P269  1  0.804761  0.801037  0.418790  1
  P  P270  1  0.341331  0.768635  0.493350  1
  P  P271  1  0.453427  0.273751  0.598464  1
  P  P272  1  0.692339  0.292754  0.561210  1
  P  P273  1  0.786760  0.940418  0.598464  1
  P  P274  1  0.925120  0.308315  0.524185  1
  P  P275  1  0.025673  0.959421  0.561210  1
  P  P276  1  0.120094  0.607084  0.598464  1
  P  P277  1  0.258454  0.974981  0.524185  1
  P  P278  1  0.359006  0.626087  0.561210  1
  P  P279  1  0.591787  0.641648  0.524185  1
  P  P280  1  0.294044  0.192084  0.535442  1
  P  P281  1  0.524794  0.209832  0.499240  1
  P  P282  1  0.627377  0.858750  0.535442  1
  P  P283  1  0.056934  0.172603  0.572690  1
  P  P284  1  0.858127  0.876499  0.499240  1
  P  P285  1  0.960710  0.525417  0.535442  1
  P  P286  1  0.390267  0.839269  0.572690  1
  P  P287  1  0.191460  0.543166  0.499240  1
  P  P288  1  0.723601  0.505936  0.572690  1
  P  P289  1  0.210202  0.401859  0.567878  1
  P  P290  1  0.441784  0.418675  0.530239  1
  P  P291  1  0.543536  0.068526  0.567878  1
  P  P292  1  0.977343  0.385384  0.604660  1
  P  P293  1  0.775117  0.085342  0.530239  1
  P  P294  1  0.876869  0.735193  0.567878  1
  P  P295  1  0.310676  0.052051  0.604660  1
  P  P296  1  0.108451  0.752008  0.530239  1
  P  P297  1  0.644010  0.718717  0.604660  1
  P  P298  1  0.747261  0.220024  0.712764  1
  P  P299  1  0.996556  0.241096  0.668964  1
  P  P300  1  0.080594  0.886691  0.712764  1
  P  P301  1  0.224128  0.256730  0.634267  1
  P  P302  1  0.329889  0.907763  0.668964  1
  P  P303  1  0.413928  0.553358  0.712764  1
  P  P304  1  0.557461  0.923397  0.634267  1
  P  P305  1  0.663222  0.574429  0.668964  1
  P  P306  1  0.890795  0.590063  0.634267  1
  P  P307  1  0.593981  0.143917  0.645501  1
  P  P308  1  0.822359  0.158496  0.609963  1
  P  P309  1  0.927315  0.810584  0.645501  1
  P  P310  1  0.364168  0.126439  0.691652  1
  P  P311  1  0.155692  0.825163  0.609963  1
  P  P312  1  0.260648  0.477250  0.645501  1
  P  P313  1  0.697501  0.793105  0.691652  1
  P  P314  1  0.489025  0.491829  0.609963  1
  P  P315  1  0.030834  0.459772  0.691652  1
  P  P316  1  0.516006  0.346850  0.684738  1
  P  P317  1  0.742967  0.366971  0.640718  1
  P  P318  1  0.849340  0.013517  0.684738  1
  P  P319  1  0.266681  0.340752  0.718787  1
  P  P320  1  0.076301  0.033637  0.640718  1
  P  P321  1  0.182673  0.680183  0.684738  1
  P  P322  1  0.600015  0.007419  0.718787  1
  P  P323  1  0.409634  0.700304  0.640718  1
  P  P324  1  0.933348  0.674085  0.718787  1
