# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   34.61979256
_cell_length_b   18.88886746
_cell_length_c   47.92895543
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.45175140
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe252 P504'
_cell_volume   31282.0365131
_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  0.763552  0.433884  0.286328  1
  Fe  Fe2  1  0.251561  0.368031  0.345306  1
  Fe  Fe3  1  0.436133  0.402637  0.304973  1
  Fe  Fe4  1  0.596671  0.100441  0.286355  1
  Fe  Fe5  1  0.593628  0.385243  0.325794  1
  Fe  Fe6  1  0.770688  0.070707  0.305031  1
  Fe  Fe7  1  0.937291  0.405341  0.304988  1
  Fe  Fe8  1  0.085297  0.035775  0.345179  1
  Fe  Fe9  1  0.093429  0.385531  0.326816  1
  Fe  Fe10  1  0.269164  0.069386  0.306015  1
  Fe  Fe11  1  0.429191  0.767054  0.286481  1
  Fe  Fe12  1  0.426548  0.051945  0.326037  1
  Fe  Fe13  1  0.603659  0.736849  0.304792  1
  Fe  Fe14  1  0.760725  0.718997  0.325898  1
  Fe  Fe15  1  0.930856  0.768644  0.286580  1
  Fe  Fe16  1  0.927278  0.052399  0.326110  1
  Fe  Fe17  1  0.103816  0.737906  0.305460  1
  Fe  Fe18  1  0.259923  0.719121  0.326672  1
  Fe  Fe19  1  0.851745  0.590995  0.284873  1
  Fe  Fe20  1  0.350291  0.587159  0.285597  1
  Fe  Fe21  1  0.511122  0.567205  0.304317  1
  Fe  Fe22  1  0.684817  0.255767  0.285553  1
  Fe  Fe23  1  0.673075  0.546876  0.322746  1
  Fe  Fe24  1  0.844850  0.235335  0.304761  1
  Fe  Fe25  1  0.011430  0.568924  0.305311  1
  Fe  Fe26  1  0.187287  0.262370  0.288669  1
  Fe  Fe27  1  0.173009  0.548410  0.322430  1
  Fe  Fe28  1  0.343101  0.233881  0.305505  1
  Fe  Fe29  1  0.517757  0.922389  0.285490  1
  Fe  Fe30  1  0.505822  0.213579  0.322748  1
  Fe  Fe31  1  0.678075  0.901224  0.304490  1
  Fe  Fe32  1  0.840235  0.880842  0.323006  1
  Fe  Fe33  1  0.022088  0.932561  0.287788  1
  Fe  Fe34  1  0.006844  0.216248  0.322210  1
  Fe  Fe35  1  0.176450  0.901815  0.306259  1
  Fe  Fe36  1  0.338669  0.880159  0.323322  1
  Fe  Fe37  1  0.752110  0.373119  0.340855  1
  Fe  Fe38  1  0.238092  0.314300  0.403892  1
  Fe  Fe39  1  0.415074  0.350543  0.357851  1
  Fe  Fe40  1  0.585196  0.039481  0.340778  1
  Fe  Fe41  1  0.575751  0.333152  0.381561  1
  Fe  Fe42  1  0.748633  0.018825  0.357763  1
  Fe  Fe43  1  0.914415  0.354808  0.357675  1
  Fe  Fe44  1  0.071853  0.981728  0.404246  1
  Fe  Fe45  1  0.075545  0.332668  0.382734  1
  Fe  Fe46  1  0.248072  0.017679  0.359043  1
  Fe  Fe47  1  0.418096  0.705889  0.340768  1
  Fe  Fe48  1  0.409161  0.999362  0.381772  1
  Fe  Fe49  1  0.581737  0.685206  0.357585  1
  Fe  Fe50  1  0.742978  0.665891  0.381582  1
  Fe  Fe51  1  0.919122  0.707596  0.340911  1
  Fe  Fe52  1  0.909759  0.999053  0.381949  1
  Fe  Fe53  1  0.080979  0.687837  0.358193  1
  Fe  Fe54  1  0.242296  0.665540  0.382618  1
  Fe  Fe55  1  0.838848  0.540645  0.337712  1
  Fe  Fe56  1  0.336516  0.532181  0.340256  1
  Fe  Fe57  1  0.500550  0.523623  0.358286  1
  Fe  Fe58  1  0.671385  0.203782  0.340378  1
  Fe  Fe59  1  0.660448  0.499167  0.382540  1
  Fe  Fe60  1  0.834430  0.191014  0.358764  1
  Fe  Fe61  1  1.000744  0.524205  0.359266  1
  Fe  Fe62  1  0.170250  0.200245  0.341376  1
  Fe  Fe63  1  0.160895  0.501325  0.379770  1
  Fe  Fe64  1  0.333712  0.188875  0.359672  1
  Fe  Fe65  1  0.504542  0.870210  0.340153  1
  Fe  Fe66  1  0.493635  0.165659  0.382587  1
  Fe  Fe67  1  0.667551  0.857246  0.358344  1
  Fe  Fe68  1  0.827295  0.832759  0.382755  1
  Fe  Fe69  1  0.006667  0.875652  0.338554  1
  Fe  Fe70  1  0.994438  0.168441  0.379437  1
  Fe  Fe71  1  0.167145  0.855304  0.360139  1
  Fe  Fe72  1  0.326864  0.831839  0.383161  1
  Fe  Fe73  1  0.740123  0.316449  0.398914  1
  Fe  Fe74  1  0.223558  0.261410  0.462631  1
  Fe  Fe75  1  0.397952  0.293469  0.426977  1
  Fe  Fe76  1  0.573347  0.982843  0.398747  1
  Fe  Fe77  1  0.562090  0.280996  0.440121  1
  Fe  Fe78  1  0.731871  0.958135  0.426760  1
  Fe  Fe79  1  0.899226  0.289130  0.427038  1
  Fe  Fe80  1  0.056660  0.927774  0.462592  1
  Fe  Fe81  1  0.062122  0.280210  0.441640  1
  Fe  Fe82  1  0.231978  0.957805  0.428022  1
  Fe  Fe83  1  0.406331  0.649217  0.398626  1
  Fe  Fe84  1  0.395729  0.946455  0.440245  1
  Fe  Fe85  1  0.565033  0.624730  0.426615  1
  Fe  Fe86  1  0.728779  0.614352  0.440107  1
  Fe  Fe87  1  0.906795  0.650226  0.399286  1
  Fe  Fe88  1  0.895967  0.947479  0.440704  1
  Fe  Fe89  1  0.065988  0.621852  0.427730  1
  Fe  Fe90  1  0.229515  0.610024  0.441010  1
  Fe  Fe91  1  0.821834  0.479427  0.405083  1
  Fe  Fe92  1  0.322530  0.484703  0.399488  1
  Fe  Fe93  1  0.481703  0.456142  0.426940  1
  Fe  Fe94  1  0.655600  0.148322  0.402662  1
  Fe  Fe95  1  0.646010  0.449892  0.441461  1
  Fe  Fe96  1  0.815329  0.122580  0.427166  1
  Fe  Fe97  1  0.981479  0.455871  0.427583  1
  Fe  Fe98  1  0.154915  0.146598  0.403772  1
  Fe  Fe99  1  0.143882  0.439312  0.449814  1
  Fe  Fe100  1  0.315256  0.122574  0.427046  1
  Fe  Fe101  1  0.488853  0.814729  0.402667  1
  Fe  Fe102  1  0.479556  0.116424  0.441380  1
  Fe  Fe103  1  0.648450  0.789133  0.426927  1
  Fe  Fe104  1  0.812798  0.783036  0.441678  1
  Fe  Fe105  1  0.988148  0.811203  0.405737  1
  Fe  Fe106  1  0.977065  0.106418  0.449456  1
  Fe  Fe107  1  0.148498  0.788853  0.427282  1
  Fe  Fe108  1  0.312664  0.782924  0.442075  1
  Fe  Fe109  1  0.720734  0.256307  0.468370  1
  Fe  Fe110  1  0.206377  0.194647  0.532872  1
  Fe  Fe111  1  0.385252  0.238432  0.483257  1
  Fe  Fe112  1  0.554107  0.923158  0.468302  1
  Fe  Fe113  1  0.545251  0.214963  0.510262  1
  Fe  Fe114  1  0.717846  0.907794  0.483496  1
  Fe  Fe115  1  0.884001  0.242186  0.484050  1
  Fe  Fe116  1  0.039384  0.860803  0.532687  1
  Fe  Fe117  1  0.045455  0.213699  0.511072  1
  Fe  Fe118  1  0.217486  0.906139  0.484412  1
  Fe  Fe119  1  0.387519  0.590382  0.468456  1
  Fe  Fe120  1  0.377869  0.883248  0.510724  1
  Fe  Fe121  1  0.551103  0.574547  0.483378  1
  Fe  Fe122  1  0.711776  0.548217  0.510232  1
  Fe  Fe123  1  0.887360  0.589351  0.468537  1
  Fe  Fe124  1  0.878746  0.881195  0.510497  1
  Fe  Fe125  1  0.050348  0.574287  0.484510  1
  Fe  Fe126  1  0.210164  0.551123  0.511817  1
  Fe  Fe127  1  0.805981  0.424723  0.461607  1
  Fe  Fe128  1  0.305196  0.419327  0.469241  1
  Fe  Fe129  1  0.467504  0.406859  0.486567  1
  Fe  Fe130  1  0.639494  0.091969  0.460785  1
  Fe  Fe131  1  0.627444  0.380443  0.510025  1
  Fe  Fe132  1  0.800826  0.073124  0.486796  1
  Fe  Fe133  1  0.967244  0.405926  0.487261  1
  Fe  Fe134  1  0.141324  0.095273  0.462995  1
  Fe  Fe135  1  0.128163  0.383165  0.508264  1
  Fe  Fe136  1  0.301591  0.075872  0.484714  1
  Fe  Fe137  1  0.472681  0.758696  0.460844  1
  Fe  Fe138  1  0.460832  0.047172  0.510181  1
  Fe  Fe139  1  0.634038  0.740109  0.486582  1
  Fe  Fe140  1  0.794159  0.713835  0.510194  1
  Fe  Fe141  1  0.973460  0.758992  0.462880  1
  Fe  Fe142  1  0.961713  0.050285  0.507755  1
  Fe  Fe143  1  0.134703  0.741582  0.484783  1
  Fe  Fe144  1  0.294086  0.713092  0.510616  1
  Fe  Fe145  1  0.707514  0.203761  0.525172  1
  Fe  Fe146  1  0.190697  0.144118  0.592223  1
  Fe  Fe147  1  0.365983  0.179683  0.553992  1
  Fe  Fe148  1  0.540846  0.870584  0.525088  1
  Fe  Fe149  1  0.529617  0.166564  0.566995  1
  Fe  Fe150  1  0.700182  0.843795  0.553381  1
  Fe  Fe151  1  0.867157  0.176073  0.553442  1
  Fe  Fe152  1  0.023478  0.810136  0.591952  1
  Fe  Fe153  1  0.030133  0.166161  0.568089  1
  Fe  Fe154  1  0.199794  0.842760  0.554497  1
  Fe  Fe155  1  0.374073  0.536520  0.525187  1
  Fe  Fe156  1  0.363675  0.831107  0.567086  1
  Fe  Fe157  1  0.533548  0.510550  0.553359  1
  Fe  Fe158  1  0.696192  0.499791  0.567017  1
  Fe  Fe159  1  0.873942  0.536693  0.525451  1
  Fe  Fe160  1  0.863039  0.832861  0.567357  1
  Fe  Fe161  1  0.033496  0.508230  0.554151  1
  Fe  Fe162  1  0.197572  0.496129  0.568074  1
  Fe  Fe163  1  0.789113  0.365177  0.532841  1
  Fe  Fe164  1  0.290369  0.369546  0.526018  1
  Fe  Fe165  1  0.451876  0.350399  0.545093  1
  Fe  Fe166  1  0.622607  0.032188  0.532620  1
  Fe  Fe167  1  0.613341  0.333122  0.567923  1
  Fe  Fe168  1  0.785613  0.016673  0.545189  1
  Fe  Fe169  1  0.952246  0.349460  0.545605  1
  Fe  Fe170  1  0.121680  0.026860  0.532907  1
  Fe  Fe171  1  0.113789  0.333355  0.567843  1
  Fe  Fe172  1  0.282861  0.006603  0.553115  1
  Fe  Fe173  1  0.456018  0.699192  0.532580  1
  Fe  Fe174  1  0.446777  1.000551  0.567891  1
  Fe  Fe175  1  0.618840  0.683881  0.545022  1
  Fe  Fe176  1  0.779932  0.666468  0.568057  1
  Fe  Fe177  1  0.955256  0.695894  0.533081  1
  Fe  Fe178  1  0.947348  1.000506  0.567337  1
  Fe  Fe179  1  0.115861  0.673308  0.553544  1
  Fe  Fe180  1  0.280003  0.666753  0.568374  1
  Fe  Fe181  1  0.690678  0.139349  0.594010  1
  Fe  Fe182  1  0.177470  0.084671  0.653417  1
  Fe  Fe183  1  0.353059  0.124050  0.612436  1
  Fe  Fe184  1  0.524084  0.806358  0.594029  1
  Fe  Fe185  1  0.514286  0.102998  0.636162  1
  Fe  Fe186  1  0.686141  0.790844  0.612058  1
  Fe  Fe187  1  0.853074  0.123599  0.612246  1
  Fe  Fe188  1  0.010425  0.750920  0.653165  1
  Fe  Fe189  1  0.014106  0.102612  0.637161  1
  Fe  Fe190  1  0.186059  0.790056  0.612965  1
  Fe  Fe191  1  0.357486  0.473508  0.594281  1
  Fe  Fe192  1  0.347510  0.770411  0.636259  1
  Fe  Fe193  1  0.519584  0.457596  0.612028  1
  Fe  Fe194  1  0.680799  0.435766  0.636175  1
  Fe  Fe195  1  0.857008  0.472127  0.594190  1
  Fe  Fe196  1  0.847518  0.768696  0.636748  1
  Fe  Fe197  1  0.019514  0.456463  0.612827  1
  Fe  Fe198  1  0.180322  0.437606  0.637162  1
  Fe  Fe199  1  0.773967  0.308807  0.590991  1
  Fe  Fe200  1  0.273914  0.307061  0.595493  1
  Fe  Fe201  1  0.434593  0.287891  0.615050  1
  Fe  Fe202  1  0.607351  0.975960  0.590882  1
  Fe  Fe203  1  0.594937  0.267574  0.634565  1
  Fe  Fe204  1  0.767984  0.954151  0.615209  1
  Fe  Fe205  1  0.934578  0.287489  0.615619  1
  Fe  Fe206  1  0.107392  0.976170  0.592199  1
  Fe  Fe207  1  0.094732  0.266071  0.636086  1
  Fe  Fe208  1  0.269220  0.956421  0.611966  1
  Fe  Fe209  1  0.440757  0.642614  0.591015  1
  Fe  Fe210  1  0.428351  0.934228  0.634851  1
  Fe  Fe211  1  0.601318  0.621041  0.615092  1
  Fe  Fe212  1  0.761249  0.600552  0.634735  1
  Fe  Fe213  1  0.940321  0.641691  0.591478  1
  Fe  Fe214  1  0.927792  0.932723  0.635553  1
  Fe  Fe215  1  0.102277  0.622771  0.612251  1
  Fe  Fe216  1  0.261606  0.600423  0.635502  1
  Fe  Fe217  1  0.677488  0.086970  0.650962  1
  Fe  Fe218  1  0.166917  0.023117  0.707556  1
  Fe  Fe219  1  0.334328  0.073597  0.669229  1
  Fe  Fe220  1  0.510990  0.753782  0.650969  1
  Fe  Fe221  1  0.495037  0.046909  0.689064  1
  Fe  Fe222  1  0.666825  0.740876  0.668591  1
  Fe  Fe223  1  0.833484  0.073978  0.668806  1
  Fe  Fe224  1  0.999612  0.689777  0.707391  1
  Fe  Fe225  1  0.993972  0.046765  0.689653  1
  Fe  Fe226  1  0.167245  0.741084  0.669726  1
  Fe  Fe227  1  0.344168  0.420424  0.651288  1
  Fe  Fe228  1  0.328458  0.714050  0.689170  1
  Fe  Fe229  1  0.500396  0.407720  0.668498  1
  Fe  Fe230  1  0.661435  0.379746  0.688999  1
  Fe  Fe231  1  0.843804  0.419829  0.651244  1
  Fe  Fe232  1  0.827481  0.712727  0.689278  1
  Fe  Fe233  1  1.000023  0.407797  0.669459  1
  Fe  Fe234  1  0.160916  0.381407  0.689845  1
  Fe  Fe235  1  0.759771  0.259581  0.651267  1
  Fe  Fe236  1  0.259406  0.259078  0.653033  1
  Fe  Fe237  1  0.422587  0.239700  0.672448  1
  Fe  Fe238  1  0.593183  0.926797  0.651153  1
  Fe  Fe239  1  0.583982  0.220868  0.688710  1
  Fe  Fe240  1  0.755248  0.905985  0.672440  1
  Fe  Fe241  1  0.921736  0.239411  0.672824  1
  Fe  Fe242  1  0.091895  0.922890  0.651460  1
  Fe  Fe243  1  0.084074  0.220851  0.689843  1
  Fe  Fe244  1  0.256172  0.907670  0.671509  1
  Fe  Fe245  1  0.426575  0.593801  0.651170  1
  Fe  Fe246  1  0.417556  0.887877  0.689002  1
  Fe  Fe247  1  0.588971  0.572680  0.672340  1
  Fe  Fe248  1  0.750274  0.553748  0.688815  1
  Fe  Fe249  1  0.925153  0.589284  0.650795  1
  Fe  Fe250  1  0.917085  0.886817  0.689270  1
  Fe  Fe251  1  0.088842  0.574347  0.671806  1
  Fe  Fe252  1  0.250914  0.555007  0.689645  1
  P  P253  1  0.891257  0.506900  0.303999  1
  P  P254  1  0.389937  0.505059  0.305322  1
  P  P255  1  0.553722  0.491646  0.326731  1
  P  P256  1  0.724199  0.172794  0.305075  1
  P  P257  1  0.723937  0.532019  0.285034  1
  P  P258  1  0.886922  0.158492  0.327046  1
  P  P259  1  0.053436  0.492173  0.327756  1
  P  P260  1  0.223525  0.172764  0.306387  1
  P  P261  1  0.222899  0.532123  0.287139  1
  P  P262  1  0.386594  0.158602  0.327404  1
  P  P263  1  0.557200  0.839066  0.304780  1
  P  P264  1  0.556989  0.198732  0.285218  1
  P  P265  1  0.720744  0.825183  0.326783  1
  P  P266  1  0.891669  0.867298  0.285558  1
  P  P267  1  0.058122  0.840490  0.304371  1
  P  P268  1  0.057258  0.201733  0.287149  1
  P  P269  1  0.220234  0.825954  0.328016  1
  P  P270  1  0.389725  0.865419  0.285559  1
  P  P271  1  0.797474  0.617065  0.308446  1
  P  P272  1  0.297235  0.615385  0.309989  1
  P  P273  1  0.458809  0.598823  0.329235  1
  P  P274  1  0.630949  0.282119  0.309248  1
  P  P275  1  0.638841  0.631640  0.288805  1
  P  P276  1  0.792487  0.266216  0.329642  1
  P  P277  1  0.958948  0.600216  0.329961  1
  P  P278  1  0.131639  0.283586  0.310716  1
  P  P279  1  0.138737  0.632942  0.289287  1
  P  P280  1  0.291387  0.264288  0.331372  1
  P  P281  1  0.463902  0.948723  0.309243  1
  P  P282  1  0.470956  0.297588  0.288886  1
  P  P283  1  0.625580  0.932283  0.329324  1
  P  P284  1  0.806114  0.965759  0.289069  1
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