# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.18208388
_cell_length_b   36.07080108
_cell_length_c   47.80069541
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.46568112
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe252 P504'
_cell_volume   31290.0939763
_cell_formula_units_Z   252
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  0.406622  0.771763  0.286186  1
  Fe  Fe2  1  0.007326  0.593541  0.343254  1
  Fe  Fe3  1  0.048683  0.775008  0.304933  1
  Fe  Fe4  1  0.407128  0.272059  0.286218  1
  Fe  Fe5  1  0.383530  0.440378  0.304997  1
  Fe  Fe6  1  0.360449  0.599969  0.326486  1
  Fe  Fe7  1  0.741333  0.438881  0.286318  1
  Fe  Fe8  1  0.716518  0.607360  0.304946  1
  Fe  Fe9  1  0.693296  0.767044  0.326378  1
  Fe  Fe10  1  0.073786  0.105361  0.286238  1
  Fe  Fe11  1  0.049166  0.273845  0.305178  1
  Fe  Fe12  1  0.027371  0.433328  0.326875  1
  Fe  Fe13  1  0.382302  0.940607  0.305029  1
  Fe  Fe14  1  0.359920  0.100248  0.326427  1
  Fe  Fe15  1  0.740376  0.938676  0.286218  1
  Fe  Fe16  1  0.715615  0.107233  0.305045  1
  Fe  Fe17  1  0.693457  0.266915  0.326433  1
  Fe  Fe18  1  0.026437  0.933661  0.326447  1
  Fe  Fe19  1  0.562277  0.863351  0.285472  1
  Fe  Fe20  1  0.229888  0.696059  0.285095  1
  Fe  Fe21  1  0.208624  0.851466  0.304293  1
  Fe  Fe22  1  0.563502  0.363375  0.285499  1
  Fe  Fe23  1  0.542048  0.517893  0.304216  1
  Fe  Fe24  1  0.522723  0.679501  0.323118  1
  Fe  Fe25  1  0.902135  0.533229  0.287456  1
  Fe  Fe26  1  0.875134  0.684837  0.304494  1
  Fe  Fe27  1  0.855710  0.846404  0.323189  1
  Fe  Fe28  1  0.229165  0.196687  0.285561  1
  Fe  Fe29  1  0.208461  0.351130  0.304241  1
  Fe  Fe30  1  0.190041  0.513150  0.322311  1
  Fe  Fe31  1  0.541738  0.017798  0.304178  1
  Fe  Fe32  1  0.522476  0.179676  0.323145  1
  Fe  Fe33  1  0.895743  0.030041  0.285546  1
  Fe  Fe34  1  0.875169  0.184459  0.304191  1
  Fe  Fe35  1  0.856143  0.346241  0.323227  1
  Fe  Fe36  1  0.189087  0.013043  0.323162  1
  Fe  Fe37  1  0.342300  0.759957  0.341027  1
  Fe  Fe38  1  0.951258  0.583239  0.401021  1
  Fe  Fe39  1  0.990315  0.756975  0.358094  1
  Fe  Fe40  1  0.343177  0.260238  0.341052  1
  Fe  Fe41  1  0.324209  0.423410  0.357762  1
  Fe  Fe42  1  0.299976  0.585859  0.382378  1
  Fe  Fe43  1  0.677588  0.427173  0.341061  1
  Fe  Fe44  1  0.657430  0.590257  0.357940  1
  Fe  Fe45  1  0.633229  0.753125  0.381985  1
  Fe  Fe46  1  0.009683  0.093524  0.341070  1
  Fe  Fe47  1  0.990256  0.256941  0.358124  1
  Fe  Fe48  1  0.966697  0.419273  0.382375  1
  Fe  Fe49  1  0.323460  0.923620  0.358077  1
  Fe  Fe50  1  0.300200  0.086160  0.382124  1
  Fe  Fe51  1  0.676274  0.926840  0.341046  1
  Fe  Fe52  1  0.656800  0.090298  0.358068  1
  Fe  Fe53  1  0.633535  0.252828  0.382103  1
  Fe  Fe54  1  0.966847  0.919486  0.382152  1
  Fe  Fe55  1  0.512209  0.849088  0.337987  1
  Fe  Fe56  1  0.176498  0.679131  0.337194  1
  Fe  Fe57  1  0.158099  0.842812  0.358638  1
  Fe  Fe58  1  0.512895  0.349180  0.338089  1
  Fe  Fe59  1  0.491880  0.509588  0.358589  1
  Fe  Fe60  1  0.467689  0.669760  0.382553  1
  Fe  Fe61  1  0.848319  0.516261  0.338496  1
  Fe  Fe62  1  0.824538  0.676114  0.359049  1
  Fe  Fe63  1  0.800981  0.836543  0.382561  1
  Fe  Fe64  1  0.179113  0.182461  0.338175  1
  Fe  Fe65  1  0.158368  0.342980  0.358719  1
  Fe  Fe66  1  0.136097  0.503569  0.379302  1
  Fe  Fe67  1  0.491449  0.009399  0.358593  1
  Fe  Fe68  1  0.467682  0.169845  0.382548  1
  Fe  Fe69  1  0.845693  0.015769  0.338158  1
  Fe  Fe70  1  0.824805  0.176065  0.358605  1
  Fe  Fe71  1  0.801062  0.336476  0.382598  1
  Fe  Fe72  1  0.134325  1.003185  0.382574  1
  Fe  Fe73  1  0.283188  0.750819  0.399513  1
  Fe  Fe74  1  0.881516  0.567506  0.469094  1
  Fe  Fe75  1  0.922945  0.743142  0.426994  1
  Fe  Fe76  1  0.283258  0.251096  0.399687  1
  Fe  Fe77  1  0.254627  0.410776  0.426897  1
  Fe  Fe78  1  0.243932  0.573345  0.440873  1
  Fe  Fe79  1  0.616718  0.417800  0.399627  1
  Fe  Fe80  1  0.589764  0.576473  0.427148  1
  Fe  Fe81  1  0.576838  0.740713  0.440390  1
  Fe  Fe82  1  0.949960  0.084378  0.399729  1
  Fe  Fe83  1  0.922640  0.242994  0.427011  1
  Fe  Fe84  1  0.910712  0.406875  0.440875  1
  Fe  Fe85  1  0.256048  0.909683  0.427017  1
  Fe  Fe86  1  0.244142  0.073467  0.440611  1
  Fe  Fe87  1  0.616536  0.917703  0.399687  1
  Fe  Fe88  1  0.589360  0.076372  0.426977  1
  Fe  Fe89  1  0.577443  0.240161  0.440596  1
  Fe  Fe90  1  0.910768  0.906787  0.440621  1
  Fe  Fe91  1  0.446620  0.831531  0.405817  1
  Fe  Fe92  1  0.113338  0.665269  0.406112  1
  Fe  Fe93  1  0.088227  0.824866  0.427500  1
  Fe  Fe94  1  0.446749  0.331640  0.405889  1
  Fe  Fe95  1  0.421963  0.491691  0.427574  1
  Fe  Fe96  1  0.412061  0.658305  0.441645  1
  Fe  Fe97  1  0.780555  0.498424  0.405999  1
  Fe  Fe98  1  0.755705  0.658859  0.426531  1
  Fe  Fe99  1  0.745438  0.825025  0.441609  1
  Fe  Fe100  1  0.113544  0.164875  0.405938  1
  Fe  Fe101  1  0.087990  0.324871  0.427704  1
  Fe  Fe102  1  0.070244  0.488892  0.449403  1
  Fe  Fe103  1  0.421399  0.991627  0.427552  1
  Fe  Fe104  1  0.412161  0.158338  0.441606  1
  Fe  Fe105  1  0.780151  0.998221  0.405917  1
  Fe  Fe106  1  0.754735  0.158315  0.427562  1
  Fe  Fe107  1  0.745388  0.324961  0.441620  1
  Fe  Fe108  1  0.078785  0.991682  0.441634  1
  Fe  Fe109  1  0.216894  0.732498  0.468740  1
  Fe  Fe110  1  0.824504  0.556273  0.526089  1
  Fe  Fe111  1  0.867015  0.730654  0.483759  1
  Fe  Fe112  1  0.216865  0.232533  0.468728  1
  Fe  Fe113  1  0.201486  0.396356  0.483811  1
  Fe  Fe114  1  0.173183  0.559235  0.510887  1
  Fe  Fe115  1  0.550111  0.399265  0.468567  1
  Fe  Fe116  1  0.533753  0.563875  0.483943  1
  Fe  Fe117  1  0.507601  0.724999  0.510617  1
  Fe  Fe118  1  0.883436  0.065869  0.468752  1
  Fe  Fe119  1  0.867143  0.230623  0.483885  1
  Fe  Fe120  1  0.839889  0.392530  0.510600  1
  Fe  Fe121  1  0.200543  0.897265  0.483842  1
  Fe  Fe122  1  0.173318  0.059184  0.510659  1
  Fe  Fe123  1  0.550045  0.899165  0.468730  1
  Fe  Fe124  1  0.533875  0.063973  0.483844  1
  Fe  Fe125  1  0.506752  0.225830  0.510631  1
  Fe  Fe126  1  0.839900  0.892502  0.510665  1
  Fe  Fe127  1  0.386730  0.818000  0.462253  1
  Fe  Fe128  1  0.053584  0.651604  0.462356  1
  Fe  Fe129  1  0.032332  0.813774  0.486850  1
  Fe  Fe130  1  0.386990  0.318153  0.462153  1
  Fe  Fe131  1  0.365703  0.480419  0.486861  1
  Fe  Fe132  1  0.340061  0.640314  0.510595  1
  Fe  Fe133  1  0.720104  0.484932  0.462355  1
  Fe  Fe134  1  0.701365  0.648305  0.483975  1
  Fe  Fe135  1  0.672832  0.806936  0.510556  1
  Fe  Fe136  1  0.053495  0.151473  0.462323  1
  Fe  Fe137  1  0.032176  0.313658  0.486952  1
  Fe  Fe138  1  0.008941  0.475011  0.507654  1
  Fe  Fe139  1  0.365633  0.980435  0.486880  1
  Fe  Fe140  1  0.339715  0.140284  0.510534  1
  Fe  Fe141  1  0.720155  0.984781  0.462305  1
  Fe  Fe142  1  0.698988  0.147105  0.486889  1
  Fe  Fe143  1  0.673100  0.307057  0.510491  1
  Fe  Fe144  1  0.006348  0.973616  0.510546  1
  Fe  Fe145  1  0.159775  0.721423  0.525774  1
  Fe  Fe146  1  0.759227  0.537868  0.595421  1
  Fe  Fe147  1  0.798129  0.714987  0.553445  1
  Fe  Fe148  1  0.159911  0.221325  0.525769  1
  Fe  Fe149  1  0.131180  0.382088  0.553038  1
  Fe  Fe150  1  0.119188  0.544727  0.567694  1
  Fe  Fe151  1  0.493417  0.387990  0.525512  1
  Fe  Fe152  1  0.464827  0.548147  0.553414  1
  Fe  Fe153  1  0.450947  0.712360  0.567364  1
  Fe  Fe154  1  0.826588  0.054733  0.525786  1
  Fe  Fe155  1  0.798303  0.214942  0.553251  1
  Fe  Fe156  1  0.785920  0.378016  0.567515  1
  Fe  Fe157  1  0.131593  0.881649  0.553215  1
  Fe  Fe158  1  0.118927  0.044594  0.567450  1
  Fe  Fe159  1  0.493301  0.888065  0.525754  1
  Fe  Fe160  1  0.465011  0.048291  0.553220  1
  Fe  Fe161  1  0.452358  0.211256  0.567454  1
  Fe  Fe162  1  0.785539  0.877918  0.567452  1
  Fe  Fe163  1  0.320433  0.803892  0.533021  1
  Fe  Fe164  1  0.986762  0.637333  0.533318  1
  Fe  Fe165  1  0.971630  0.799978  0.545256  1
  Fe  Fe166  1  0.320292  0.303732  0.533066  1
  Fe  Fe167  1  0.304684  0.466560  0.545107  1
  Fe  Fe168  1  0.285590  0.629808  0.567940  1
  Fe  Fe169  1  0.653722  0.470657  0.533094  1
  Fe  Fe170  1  0.629433  0.630514  0.552877  1
  Fe  Fe171  1  0.618278  0.796360  0.567979  1
  Fe  Fe172  1  0.986952  0.137171  0.533156  1
  Fe  Fe173  1  0.971757  0.299931  0.545323  1
  Fe  Fe174  1  0.952602  0.463551  0.566934  1
  Fe  Fe175  1  0.305113  0.966669  0.545251  1
  Fe  Fe176  1  0.285108  0.129696  0.567878  1
  Fe  Fe177  1  0.653607  0.970541  0.533140  1
  Fe  Fe178  1  0.638492  0.133310  0.545270  1
  Fe  Fe179  1  0.618647  0.296291  0.567836  1
  Fe  Fe180  1  0.951719  0.963036  0.567891  1
  Fe  Fe181  1  0.091527  0.706024  0.594417  1
  Fe  Fe182  1  0.699459  0.528695  0.653651  1
  Fe  Fe183  1  0.740740  0.702914  0.612076  1
  Fe  Fe184  1  0.091747  0.206014  0.594387  1
  Fe  Fe185  1  0.074243  0.369903  0.611817  1
  Fe  Fe186  1  0.051049  0.531248  0.636768  1
  Fe  Fe187  1  0.425188  0.372531  0.594192  1
  Fe  Fe188  1  0.407760  0.536156  0.612035  1
  Fe  Fe189  1  0.384655  0.697720  0.636482  1
  Fe  Fe190  1  0.758419  0.039366  0.594397  1
  Fe  Fe191  1  0.741033  0.203028  0.611953  1
  Fe  Fe192  1  0.717477  0.364613  0.636866  1
  Fe  Fe193  1  0.074314  0.869701  0.611910  1
  Fe  Fe194  1  0.050628  0.031298  0.636795  1
  Fe  Fe195  1  0.424979  0.872760  0.594372  1
  Fe  Fe196  1  0.407671  0.036365  0.611917  1
  Fe  Fe197  1  0.384026  0.197951  0.636772  1
  Fe  Fe198  1  0.717363  0.864651  0.636817  1
  Fe  Fe199  1  0.260169  0.789784  0.591168  1
  Fe  Fe200  1  0.926581  0.622956  0.591363  1
  Fe  Fe201  1  0.904570  0.785053  0.615095  1
  Fe  Fe202  1  0.260265  0.289668  0.591062  1
  Fe  Fe203  1  0.237999  0.451704  0.614885  1
  Fe  Fe204  1  0.216302  0.611472  0.635395  1
  Fe  Fe205  1  0.593465  0.456063  0.590982  1
  Fe  Fe206  1  0.573549  0.618863  0.611870  1
  Fe  Fe207  1  0.549342  0.778323  0.635498  1
  Fe  Fe208  1  0.926958  0.123014  0.591194  1
  Fe  Fe209  1  0.904605  0.285045  0.615073  1
  Fe  Fe210  1  0.882333  0.444603  0.635893  1
  Fe  Fe211  1  0.237887  0.951697  0.615051  1
  Fe  Fe212  1  0.215824  0.111354  0.635419  1
  Fe  Fe213  1  0.593627  0.956369  0.591181  1
  Fe  Fe214  1  0.571277  0.118357  0.615057  1
  Fe  Fe215  1  0.549239  0.278175  0.635455  1
  Fe  Fe216  1  0.882470  0.944713  0.635423  1
  Fe  Fe217  1  0.035117  0.695347  0.651685  1
  Fe  Fe218  1  0.636396  0.517783  0.708337  1
  Fe  Fe219  1  0.682902  0.686222  0.668326  1
  Fe  Fe220  1  0.034844  0.195316  0.651625  1
  Fe  Fe221  1  0.016132  0.352572  0.667924  1
  Fe  Fe222  1  0.987992  0.515113  0.689392  1
  Fe  Fe223  1  0.368269  0.361974  0.651534  1
  Fe  Fe224  1  0.349972  0.519128  0.667890  1
  Fe  Fe225  1  0.321659  0.681631  0.689228  1
  Fe  Fe226  1  0.701499  0.028688  0.651622  1
  Fe  Fe227  1  0.682442  0.185951  0.667990  1
  Fe  Fe228  1  0.653883  0.349020  0.689314  1
  Fe  Fe229  1  0.015911  0.852558  0.667980  1
  Fe  Fe230  1  0.987165  0.015165  0.689311  1
  Fe  Fe231  1  0.368128  0.862065  0.651631  1
  Fe  Fe232  1  0.349123  0.019252  0.667959  1
  Fe  Fe233  1  0.320583  0.181867  0.689279  1
  Fe  Fe234  1  0.653997  0.848535  0.689405  1
  Fe  Fe235  1  0.203973  0.778225  0.651074  1
  Fe  Fe236  1  0.870552  0.611245  0.651478  1
  Fe  Fe237  1  0.849275  0.775450  0.672311  1
  Fe  Fe238  1  0.203890  0.278317  0.651023  1
  Fe  Fe239  1  0.182923  0.441947  0.672129  1
  Fe  Fe240  1  0.166178  0.602827  0.689651  1
  Fe  Fe241  1  0.535123  0.442409  0.650224  1
  Fe  Fe242  1  0.517237  0.608697  0.671267  1
  Fe  Fe243  1  0.498846  0.769522  0.689701  1
  Fe  Fe244  1  0.870418  0.111622  0.651122  1
  Fe  Fe245  1  0.849040  0.275425  0.672286  1
  Fe  Fe246  1  0.832974  0.435976  0.690012  1
  Fe  Fe247  1  0.182325  0.942067  0.672236  1
  Fe  Fe248  1  0.165524  0.102784  0.689653  1
  Fe  Fe249  1  0.537107  0.944978  0.651107  1
  Fe  Fe250  1  0.515693  0.108741  0.672238  1
  Fe  Fe251  1  0.498981  0.269653  0.689702  1
  Fe  Fe252  1  0.832220  0.936126  0.689649  1
  P  P253  1  0.622578  0.822734  0.313992  1
  P  P254  1  0.289337  0.655747  0.314050  1
  P  P255  1  0.272420  0.819495  0.336877  1
  P  P256  1  0.622948  0.322677  0.314137  1
  P  P257  1  0.606370  0.486351  0.336890  1
  P  P258  1  0.635871  0.660757  0.294226  1
  P  P259  1  0.956080  0.488472  0.313857  1
  P  P260  1  0.938451  0.652682  0.337256  1
  P  P261  1  0.968725  0.827749  0.294216  1
  P  P262  1  0.289264  0.156058  0.314113  1
  P  P263  1  0.272712  0.319688  0.336952  1
  P  P264  1  0.303304  0.494003  0.294265  1
  P  P265  1  0.605989  0.986338  0.336859  1
  P  P266  1  0.635514  0.160771  0.294239  1
  P  P267  1  0.955864  0.989422  0.314105  1
  P  P268  1  0.939365  0.152997  0.336884  1
  P  P269  1  0.969099  0.327411  0.294327  1
  P  P270  1  0.302137  0.994142  0.294247  1
  P  P271  1  0.446851  0.879008  0.298133  1
  P  P272  1  0.116580  0.714622  0.298545  1
  P  P273  1  0.099514  0.876619  0.320954  1
  P  P274  1  0.448037  0.378949  0.298056  1
  P  P275  1  0.433038  0.542967  0.320926  1
  P  P276  1  0.478956  0.717089  0.280974  1
  P  P277  1  0.784041  0.546345  0.298416  1
  P  P278  1  0.766236  0.709818  0.320976  1
  P  P279  1  0.812359  0.883992  0.281006  1
  P  P280  1  0.113771  0.212332  0.298260  1
  P  P281  1  0.099532  0.376226  0.321066  1
  P  P282  1  0.147896  0.548471  0.281913  1
  P  P283  1  0.432826  0.043048  0.320840  1
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