# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   35.40294604
_cell_length_b   15.24578647
_cell_length_c   48.72696982
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.25186644
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe216 P432'
_cell_volume   25920.442051
_cell_formula_units_Z   216
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  0.737039  0.701899  0.324282  1
  Fe  Fe2  1  0.416752  0.818775  0.277712  1
  Fe  Fe3  1  0.582463  0.756854  0.301905  1
  Fe  Fe4  1  0.078599  0.828547  0.279329  1
  Fe  Fe5  1  0.249030  0.757280  0.301596  1
  Fe  Fe6  1  0.570049  0.202248  0.324087  1
  Fe  Fe7  1  0.748729  0.255936  0.302020  1
  Fe  Fe8  1  0.915285  0.756258  0.301956  1
  Fe  Fe9  1  0.235311  0.206412  0.324541  1
  Fe  Fe10  1  0.416278  0.257593  0.302050  1
  Fe  Fe11  1  0.911774  0.327909  0.279619  1
  Fe  Fe12  1  0.082198  0.257283  0.301699  1
  Fe  Fe13  1  0.823896  0.018456  0.303201  1
  Fe  Fe14  1  0.490268  0.018232  0.303266  1
  Fe  Fe15  1  0.652859  0.951253  0.323857  1
  Fe  Fe16  1  0.157438  0.019524  0.303126  1
  Fe  Fe17  1  0.333034  0.075200  0.279832  1
  Fe  Fe18  1  0.657605  0.517681  0.303133  1
  Fe  Fe19  1  0.819002  0.450059  0.324348  1
  Fe  Fe20  1  0.985394  0.951123  0.324045  1
  Fe  Fe21  1  0.324122  0.518404  0.302810  1
  Fe  Fe22  1  0.486507  0.450358  0.323694  1
  Fe  Fe23  1  0.990700  0.519225  0.303226  1
  Fe  Fe24  1  0.152598  0.452760  0.323440  1
  Fe  Fe25  1  0.720976  0.586632  0.370321  1
  Fe  Fe26  1  0.403784  0.705256  0.322064  1
  Fe  Fe27  1  0.562624  0.648262  0.343632  1
  Fe  Fe28  1  0.069653  0.707211  0.322388  1
  Fe  Fe29  1  0.229326  0.648696  0.343533  1
  Fe  Fe30  1  0.554390  0.087136  0.370136  1
  Fe  Fe31  1  0.729022  0.147389  0.344162  1
  Fe  Fe32  1  0.895857  0.646684  0.343947  1
  Fe  Fe33  1  0.220898  0.087992  0.370232  1
  Fe  Fe34  1  0.396277  0.146837  0.344044  1
  Fe  Fe35  1  0.903068  0.205807  0.322544  1
  Fe  Fe36  1  0.062793  0.147605  0.343450  1
  Fe  Fe37  1  0.813233  0.889397  0.346975  1
  Fe  Fe38  1  0.480553  0.892985  0.348031  1
  Fe  Fe39  1  0.639185  0.836132  0.369997  1
  Fe  Fe40  1  0.147406  0.892824  0.347653  1
  Fe  Fe41  1  0.320038  0.955723  0.322472  1
  Fe  Fe42  1  0.646600  0.389245  0.346906  1
  Fe  Fe43  1  0.805132  0.335354  0.370653  1
  Fe  Fe44  1  0.971741  0.836490  0.370319  1
  Fe  Fe45  1  0.313126  0.389332  0.346466  1
  Fe  Fe46  1  0.472519  0.336483  0.369799  1
  Fe  Fe47  1  0.980525  0.392831  0.347951  1
  Fe  Fe48  1  0.139029  0.337375  0.369631  1
  Fe  Fe49  1  0.705386  0.440768  0.424493  1
  Fe  Fe50  1  0.387811  0.588818  0.369341  1
  Fe  Fe51  1  0.545222  0.506063  0.400236  1
  Fe  Fe52  1  0.054431  0.589140  0.369533  1
  Fe  Fe53  1  0.211959  0.506627  0.400077  1
  Fe  Fe54  1  0.539033  0.940801  0.424516  1
  Fe  Fe55  1  0.711936  0.005601  0.400541  1
  Fe  Fe56  1  0.878585  0.505460  0.400379  1
  Fe  Fe57  1  0.205739  0.941241  0.424388  1
  Fe  Fe58  1  0.378804  0.005673  0.400314  1
  Fe  Fe59  1  0.887662  0.087837  0.369678  1
  Fe  Fe60  1  0.045189  0.006330  0.400037  1
  Fe  Fe61  1  0.797520  0.770790  0.393655  1
  Fe  Fe62  1  0.464522  0.771394  0.394096  1
  Fe  Fe63  1  0.621416  0.692183  0.424529  1
  Fe  Fe64  1  0.131000  0.772016  0.393847  1
  Fe  Fe65  1  0.305815  0.837976  0.369488  1
  Fe  Fe66  1  0.630749  0.271010  0.393650  1
  Fe  Fe67  1  0.787983  0.192266  0.424568  1
  Fe  Fe68  1  0.954649  0.692209  0.424373  1
  Fe  Fe69  1  0.297573  0.271150  0.393130  1
  Fe  Fe70  1  0.454746  0.192242  0.424368  1
  Fe  Fe71  1  0.964361  0.271573  0.393965  1
  Fe  Fe72  1  0.121269  0.192471  0.424343  1
  Fe  Fe73  1  0.690569  0.328909  0.471445  1
  Fe  Fe74  1  0.372254  0.440601  0.424040  1
  Fe  Fe75  1  0.532243  0.383380  0.447381  1
  Fe  Fe76  1  0.038948  0.440988  0.424451  1
  Fe  Fe77  1  0.198991  0.383716  0.447122  1
  Fe  Fe78  1  0.524086  0.828883  0.471427  1
  Fe  Fe79  1  0.698945  0.883068  0.447531  1
  Fe  Fe80  1  0.865580  0.383060  0.447469  1
  Fe  Fe81  1  0.190739  0.829072  0.471182  1
  Fe  Fe82  1  0.365659  0.883543  0.447286  1
  Fe  Fe83  1  0.872055  0.940664  0.424424  1
  Fe  Fe84  1  0.032221  0.883529  0.447282  1
  Fe  Fe85  1  0.780757  0.627150  0.450660  1
  Fe  Fe86  1  0.447342  0.627454  0.450547  1
  Fe  Fe87  1  0.608349  0.578084  0.471101  1
  Fe  Fe88  1  0.114042  0.627746  0.450505  1
  Fe  Fe89  1  0.288271  0.692637  0.424131  1
  Fe  Fe90  1  0.614060  0.127619  0.450738  1
  Fe  Fe91  1  0.774996  0.078002  0.471229  1
  Fe  Fe92  1  0.941755  0.578002  0.471029  1
  Fe  Fe93  1  0.280836  0.128036  0.450367  1
  Fe  Fe94  1  0.441901  0.078066  0.470899  1
  Fe  Fe95  1  0.947353  0.127175  0.450529  1
  Fe  Fe96  1  0.108445  0.078237  0.470841  1
  Fe  Fe97  1  0.675159  0.183891  0.525497  1
  Fe  Fe98  1  0.357423  0.329233  0.471003  1
  Fe  Fe99  1  0.517340  0.264659  0.494800  1
  Fe  Fe100  1  0.024073  0.328796  0.471265  1
  Fe  Fe101  1  0.184056  0.264698  0.494434  1
  Fe  Fe102  1  0.508450  0.684234  0.525304  1
  Fe  Fe103  1  0.683963  0.764377  0.494877  1
  Fe  Fe104  1  0.850612  0.264307  0.494754  1
  Fe  Fe105  1  0.175147  0.684353  0.525191  1
  Fe  Fe106  1  0.350690  0.764994  0.494695  1
  Fe  Fe107  1  0.857299  0.828622  0.471321  1
  Fe  Fe108  1  0.017320  0.764541  0.494643  1
  Fe  Fe109  1  0.766268  0.506154  0.498285  1
  Fe  Fe110  1  0.432963  0.506643  0.498056  1
  Fe  Fe111  1  0.590773  0.435180  0.526054  1
  Fe  Fe112  1  0.099705  0.506499  0.498091  1
  Fe  Fe113  1  0.275129  0.578629  0.470772  1
  Fe  Fe114  1  0.599672  0.006476  0.498307  1
  Fe  Fe115  1  0.757494  0.934624  0.525963  1
  Fe  Fe116  1  0.924238  0.434733  0.525923  1
  Fe  Fe117  1  0.266330  0.006828  0.497962  1
  Fe  Fe118  1  0.424269  0.935439  0.525966  1
  Fe  Fe119  1  0.932929  0.006205  0.498119  1
  Fe  Fe120  1  0.090832  0.935023  0.525955  1
  Fe  Fe121  1  0.660152  0.071999  0.572281  1
  Fe  Fe122  1  0.342024  0.184221  0.524967  1
  Fe  Fe123  1  0.499246  0.123357  0.551245  1
  Fe  Fe124  1  0.008535  0.183932  0.525168  1
  Fe  Fe125  1  0.165822  0.123510  0.551180  1
  Fe  Fe126  1  0.493287  0.572388  0.572052  1
  Fe  Fe127  1  0.665793  0.623196  0.551325  1
  Fe  Fe128  1  0.832476  0.123089  0.551311  1
  Fe  Fe129  1  0.160157  0.571827  0.571928  1
  Fe  Fe130  1  0.332627  0.623504  0.550966  1
  Fe  Fe131  1  0.841878  0.683710  0.525357  1
  Fe  Fe132  1  0.999265  0.622936  0.551242  1
  Fe  Fe133  1  0.751409  0.385806  0.546040  1
  Fe  Fe134  1  0.418270  0.386270  0.545729  1
  Fe  Fe135  1  0.577101  0.318661  0.571644  1
  Fe  Fe136  1  0.084926  0.385950  0.545793  1
  Fe  Fe137  1  0.257676  0.435355  0.525520  1
  Fe  Fe138  1  0.584875  0.886195  0.546014  1
  Fe  Fe139  1  0.743769  0.817954  0.571558  1
  Fe  Fe140  1  0.910540  0.318063  0.571408  1
  Fe  Fe141  1  0.251461  0.886462  0.545742  1
  Fe  Fe142  1  0.410474  0.819023  0.571523  1
  Fe  Fe143  1  0.918156  0.885641  0.545864  1
  Fe  Fe144  1  0.077263  0.818184  0.571468  1
  Fe  Fe145  1  0.645180  0.922766  0.626999  1
  Fe  Fe146  1  0.327031  0.072150  0.571679  1
  Fe  Fe147  1  0.486941  0.004959  0.597060  1
  Fe  Fe148  1  0.993378  0.071673  0.571806  1
  Fe  Fe149  1  0.153562  0.004109  0.596912  1
  Fe  Fe150  1  0.478321  0.423091  0.626858  1
  Fe  Fe151  1  0.653340  0.504807  0.596997  1
  Fe  Fe152  1  0.820085  0.004137  0.596831  1
  Fe  Fe153  1  0.145185  0.423508  0.626653  1
  Fe  Fe154  1  0.320291  0.504812  0.596688  1
  Fe  Fe155  1  0.826860  0.571466  0.572108  1
  Fe  Fe156  1  0.986952  0.503832  0.596902  1
  Fe  Fe157  1  0.734881  0.241653  0.603176  1
  Fe  Fe158  1  0.401648  0.241817  0.602466  1
  Fe  Fe159  1  0.560078  0.174631  0.627280  1
  Fe  Fe160  1  0.068303  0.240975  0.602689  1
  Fe  Fe161  1  0.243965  0.318729  0.571075  1
  Fe  Fe162  1  0.567991  0.741606  0.602726  1
  Fe  Fe163  1  0.726766  0.674553  0.627182  1
  Fe  Fe164  1  0.893124  0.174593  0.627475  1
  Fe  Fe165  1  0.234880  0.741601  0.602594  1
  Fe  Fe166  1  0.392962  0.675423  0.627438  1
  Fe  Fe167  1  0.901735  0.741357  0.602989  1
  Fe  Fe168  1  0.059874  0.674181  0.627612  1
  Fe  Fe169  1  0.630451  0.804070  0.674041  1
  Fe  Fe170  1  0.311748  0.924039  0.626212  1
  Fe  Fe171  1  0.469282  0.865585  0.652722  1
  Fe  Fe172  1  0.978453  0.922970  0.626160  1
  Fe  Fe173  1  0.135932  0.865269  0.652726  1
  Fe  Fe174  1  0.463925  0.304887  0.673971  1
  Fe  Fe175  1  0.636060  0.366035  0.652399  1
  Fe  Fe176  1  0.803124  0.864524  0.652240  1
  Fe  Fe177  1  0.131261  0.302063  0.673410  1
  Fe  Fe178  1  0.303464  0.365352  0.652047  1
  Fe  Fe179  1  0.812015  0.423781  0.626322  1
  Fe  Fe180  1  0.969632  0.363884  0.652501  1
  Fe  Fe181  1  0.719061  0.123269  0.650034  1
  Fe  Fe182  1  0.385084  0.120925  0.648677  1
  Fe  Fe183  1  0.545497  0.057487  0.674222  1
  Fe  Fe184  1  0.051759  0.120561  0.648873  1
  Fe  Fe185  1  0.227418  0.176461  0.625909  1
  Fe  Fe186  1  0.551543  0.620599  0.648942  1
  Fe  Fe187  1  0.712330  0.556865  0.674211  1
  Fe  Fe188  1  0.878910  0.056762  0.674342  1
  Fe  Fe189  1  0.219102  0.623092  0.649318  1
  Fe  Fe190  1  0.378439  0.558747  0.674231  1
  Fe  Fe191  1  0.885949  0.623142  0.649885  1
  Fe  Fe192  1  0.045696  0.556187  0.674557  1
  Fe  Fe193  1  0.616327  0.693793  0.718799  1
  Fe  Fe194  1  0.295432  0.810494  0.672321  1
  Fe  Fe195  1  0.448829  0.755127  0.694572  1
  Fe  Fe196  1  0.964071  0.805581  0.671948  1
  Fe  Fe197  1  0.116957  0.755158  0.694777  1
  Fe  Fe198  1  0.449612  0.195132  0.718842  1
  Fe  Fe199  1  0.616116  0.255075  0.694720  1
  Fe  Fe200  1  0.782932  0.754050  0.694672  1
  Fe  Fe201  1  0.121319  0.183125  0.716767  1
  Fe  Fe202  1  0.282369  0.255643  0.694297  1
  Fe  Fe203  1  0.797429  0.306298  0.672034  1
  Fe  Fe204  1  0.949255  0.253716  0.694669  1
  Fe  Fe205  1  0.709508  0.993884  0.693684  1
  Fe  Fe206  1  0.375081  0.995239  0.693019  1
  Fe  Fe207  1  0.532575  0.938057  0.717158  1
  Fe  Fe208  1  0.041728  0.993268  0.693255  1
  Fe  Fe209  1  0.213547  0.062378  0.672100  1
  Fe  Fe210  1  0.542493  0.493977  0.693378  1
  Fe  Fe211  1  0.699574  0.437109  0.716849  1
  Fe  Fe212  1  0.865785  0.938233  0.716857  1
  Fe  Fe213  1  0.209223  0.494066  0.693180  1
  Fe  Fe214  1  0.365550  0.440207  0.717011  1
  Fe  Fe215  1  0.876073  0.494116  0.693519  1
  Fe  Fe216  1  0.032373  0.438489  0.717151  1
  P  P217  1  0.866033  0.888696  0.312779  1
  P  P218  1  0.532864  0.888831  0.312798  1
  P  P219  1  0.703862  0.956369  0.291114  1
  P  P220  1  0.199853  0.890185  0.312453  1
  P  P221  1  0.374136  0.949425  0.288020  1
  P  P222  1  0.699584  0.388321  0.312722  1
  P  P223  1  0.871216  0.454557  0.289838  1
  P  P224  1  0.037611  0.954595  0.289567  1
  P  P225  1  0.366251  0.389147  0.312746  1
  P  P226  1  0.537467  0.454714  0.290894  1
  P  P227  1  0.032425  0.389281  0.312778  1
  P  P228  1  0.203687  0.456779  0.290837  1
  P  P229  1  0.789711  0.141534  0.276439  1
  P  P230  1  0.457457  0.143277  0.276528  1
  P  P231  1  0.615401  0.084215  0.301639  1
  P  P232  1  0.124846  0.144960  0.276328  1
  P  P233  1  0.277645  0.083472  0.300944  1
  P  P234  1  0.625520  0.644002  0.276583  1
  P  P235  1  0.782174  0.583195  0.301727  1
  P  P236  1  0.948783  0.084776  0.301282  1
  P  P237  1  0.290522  0.642278  0.276083  1
  P  P238  1  0.449562  0.583043  0.301313  1
  P  P239  1  0.956425  0.642134  0.276329  1
  P  P240  1  0.115477  0.586474  0.301146  1
  P  P241  1  0.872882  0.229019  0.276232  1
  P  P242  1  0.541068  0.236186  0.279530  1
  P  P243  1  0.698253  0.173453  0.300499  1
  P  P244  1  0.206650  0.239275  0.279617  1
  P  P245  1  0.364851  0.174363  0.300059  1
  P  P246  1  0.708188  0.737060  0.279707  1
  P  P247  1  0.864906  0.673555  0.300391  1
  P  P248  1  0.032751  0.172995  0.299465  1
  P  P249  1  0.374145  0.727336  0.275546  1
  P  P250  1  0.533378  0.671785  0.299330  1
  P  P251  1  0.039386  0.730110  0.276111  1
  P  P252  1  0.199281  0.673611  0.299604  1
  P  P253  1  0.782056  0.804230  0.313807  1
  P  P254  1  0.452191  0.800249  0.315146  1
  P  P255  1  0.623425  0.864321  0.289924  1
  P  P256  1  0.117879  0.802863  0.314741  1
  P  P257  1  0.291445  0.862316  0.289464  1
  P  P258  1  0.615377  0.304212  0.313723  1
  P  P259  1  0.791102  0.361698  0.290215  1
  P  P260  1  0.957336  0.862594  0.290030  1
  P  P261  1  0.282195  0.303170  0.313062  1
  P  P262  1  0.456819  0.363864  0.289759  1
  P  P263  1  0.951146  0.301847  0.314952  1
  P  P264  1  0.122551  0.366325  0.289710  1
  P  P265  1  0.851735  0.762996  0.365323  1
  P  P266  1  0.519141  0.763386  0.365622  1
  P  P267  1  0.693114  0.826385  0.341749  1
  P  P268  1  0.185652  0.764165  0.365350  1
  P  P269  1  0.359375  0.827683  0.340654  1
  P  P270  1  0.685022  0.263478  0.365394  1
  P  P271  1  0.858859  0.326085  0.342050  1
  P  P272  1  0.025392  0.827155  0.341829  1
  P  P273  1  0.351928  0.263495  0.365027  1
  P  P274  1  0.526433  0.326470  0.341685  1
  P  P275  1  0.018862  0.263169  0.365480  1
  P  P276  1  0.192722  0.328562  0.341737  1
  P  P277  1  0.771744  0.018788  0.328629  1
  P  P278  1  0.437303  0.016817  0.327488  1
  P  P279  1  0.597299  0.957848  0.352160  1
  P  P280  1  0.104756  0.018070  0.327610  1
  P  P281  1  0.264198  0.958658  0.351796  1
  P  P282  1  0.605294  0.519055  0.328338  1
  P  P283  1  0.763720  0.457272  0.352305  1
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  P  P612  1  0.087658  0.426679  0.695534  1
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  P  P621  1  0.166330  0.622352  0.683408  1
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