# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.65081017
_cell_length_b   17.93819287
_cell_length_c   48.91579331
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.23294406
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe252 P252'
_cell_volume   15480.5312141
_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  0.177045  0.608551  0.334161  1
  Fe  Fe2  1  0.510378  0.275218  0.334161  1
  Fe  Fe3  1  0.534934  0.626527  0.293309  1
  Fe  Fe4  1  0.843711  0.941884  0.334161  1
  Fe  Fe5  1  0.868267  0.293194  0.293309  1
  Fe  Fe6  1  0.856586  0.618383  0.313709  1
  Fe  Fe7  1  0.201601  0.959861  0.293309  1
  Fe  Fe8  1  0.189919  0.285049  0.313709  1
  Fe  Fe9  1  0.523253  0.951716  0.313709  1
  Fe  Fe10  1  0.504750  0.746931  0.331158  1
  Fe  Fe11  1  0.838084  0.413598  0.331158  1
  Fe  Fe12  1  0.860927  0.774107  0.292642  1
  Fe  Fe13  1  0.171417  0.080265  0.331158  1
  Fe  Fe14  1  0.194261  0.440774  0.292642  1
  Fe  Fe15  1  0.184280  0.761880  0.312590  1
  Fe  Fe16  1  0.527594  0.107440  0.292642  1
  Fe  Fe17  1  0.517613  0.428547  0.312590  1
  Fe  Fe18  1  0.850946  0.095214  0.312590  1
  Fe  Fe19  1  0.342451  0.776487  0.322518  1
  Fe  Fe20  1  0.675785  0.443154  0.322518  1
  Fe  Fe21  1  0.707517  0.805809  0.284777  1
  Fe  Fe22  1  0.009118  0.109820  0.322518  1
  Fe  Fe23  1  0.040850  0.472475  0.284777  1
  Fe  Fe24  1  0.019628  0.783339  0.304182  1
  Fe  Fe25  1  0.374183  0.139142  0.284777  1
  Fe  Fe26  1  0.352962  0.450005  0.304182  1
  Fe  Fe27  1  0.686295  0.116672  0.304182  1
  Fe  Fe28  1  0.339065  0.576050  0.342374  1
  Fe  Fe29  1  0.672399  0.242717  0.342374  1
  Fe  Fe30  1  0.692539  0.593312  0.302306  1
  Fe  Fe31  1  0.005732  0.909384  0.342374  1
  Fe  Fe32  1  0.025873  0.259979  0.302306  1
  Fe  Fe33  1  0.016466  0.584533  0.321267  1
  Fe  Fe34  1  0.359206  0.926646  0.302306  1
  Fe  Fe35  1  0.349800  0.251199  0.321267  1
  Fe  Fe36  1  0.683133  0.917866  0.321267  1
  Fe  Fe37  1  0.146798  0.578473  0.394967  1
  Fe  Fe38  1  0.480131  0.245139  0.394967  1
  Fe  Fe39  1  0.500289  0.598093  0.349259  1
  Fe  Fe40  1  0.813464  0.911806  0.394967  1
  Fe  Fe41  1  0.833622  0.264759  0.349259  1
  Fe  Fe42  1  0.823010  0.589050  0.373445  1
  Fe  Fe43  1  0.166956  0.931426  0.349259  1
  Fe  Fe44  1  0.156343  0.255717  0.373445  1
  Fe  Fe45  1  0.489677  0.922383  0.373445  1
  Fe  Fe46  1  0.475785  0.717743  0.391816  1
  Fe  Fe47  1  0.809119  0.384410  0.391816  1
  Fe  Fe48  1  0.828044  0.737927  0.349472  1
  Fe  Fe49  1  0.142452  0.051076  0.391816  1
  Fe  Fe50  1  0.161377  0.404593  0.349472  1
  Fe  Fe51  1  0.152138  0.728678  0.371889  1
  Fe  Fe52  1  0.494710  0.071260  0.349472  1
  Fe  Fe53  1  0.485472  0.395345  0.371889  1
  Fe  Fe54  1  0.818805  0.062011  0.371889  1
  Fe  Fe55  1  0.313280  0.750760  0.383848  1
  Fe  Fe56  1  0.646614  0.417427  0.383848  1
  Fe  Fe57  1  0.668778  0.775551  0.338882  1
  Fe  Fe58  1  0.979947  0.084094  0.383848  1
  Fe  Fe59  1  1.002112  0.442218  0.338882  1
  Fe  Fe60  1  0.990043  0.760955  0.363110  1
  Fe  Fe61  1  0.335445  0.108885  0.338882  1
  Fe  Fe62  1  0.323377  0.427622  0.363110  1
  Fe  Fe63  1  0.656710  0.094289  0.363110  1
  Fe  Fe64  1  0.309319  0.546373  0.403558  1
  Fe  Fe65  1  0.642652  0.213040  0.403558  1
  Fe  Fe66  1  0.662609  0.567561  0.361077  1
  Fe  Fe67  1  0.975986  0.879707  0.403558  1
  Fe  Fe68  1  0.995942  0.234228  0.361077  1
  Fe  Fe69  1  0.985633  0.556230  0.382552  1
  Fe  Fe70  1  0.329276  0.900894  0.361077  1
  Fe  Fe71  1  0.318966  0.222897  0.382552  1
  Fe  Fe72  1  0.652300  0.889563  0.382552  1
  Fe  Fe73  1  0.116286  0.549116  0.456703  1
  Fe  Fe74  1  0.449619  0.215782  0.456703  1
  Fe  Fe75  1  0.469133  0.567938  0.417301  1
  Fe  Fe76  1  0.782953  0.882449  0.456703  1
  Fe  Fe77  1  0.802466  0.234605  0.417301  1
  Fe  Fe78  1  0.793117  0.558986  0.435834  1
  Fe  Fe79  1  0.135799  0.901272  0.417301  1
  Fe  Fe80  1  0.126450  0.225652  0.435834  1
  Fe  Fe81  1  0.459784  0.892319  0.435834  1
  Fe  Fe82  1  0.444222  0.688722  0.455542  1
  Fe  Fe83  1  0.777555  0.355388  0.455542  1
  Fe  Fe84  1  0.797670  0.708269  0.413834  1
  Fe  Fe85  1  0.110889  0.022055  0.455542  1
  Fe  Fe86  1  0.131004  0.374936  0.413834  1
  Fe  Fe87  1  0.121336  0.698659  0.434261  1
  Fe  Fe88  1  0.464337  0.041603  0.413834  1
  Fe  Fe89  1  0.454669  0.365326  0.434261  1
  Fe  Fe90  1  0.788003  0.031993  0.434261  1
  Fe  Fe91  1  0.282327  0.720973  0.446219  1
  Fe  Fe92  1  0.615661  0.387640  0.446219  1
  Fe  Fe93  1  0.634810  0.739018  0.406208  1
  Fe  Fe94  1  0.948994  0.054307  0.446219  1
  Fe  Fe95  1  0.968143  0.405685  0.406208  1
  Fe  Fe96  1  0.958665  0.730574  0.425513  1
  Fe  Fe97  1  0.301477  0.072351  0.406208  1
  Fe  Fe98  1  0.291998  0.397241  0.425513  1
  Fe  Fe99  1  0.625332  0.063907  0.425513  1
  Fe  Fe100  1  0.278638  0.517234  0.465678  1
  Fe  Fe101  1  0.611971  0.183901  0.465678  1
  Fe  Fe102  1  0.632310  0.536746  0.424092  1
  Fe  Fe103  1  0.945304  0.850568  0.465678  1
  Fe  Fe104  1  0.965643  0.203413  0.424092  1
  Fe  Fe105  1  0.955433  0.526972  0.444750  1
  Fe  Fe106  1  0.298976  0.870080  0.424092  1
  Fe  Fe107  1  0.288766  0.193639  0.444750  1
  Fe  Fe108  1  0.622099  0.860305  0.444750  1
  Fe  Fe109  1  0.085699  0.519330  0.520013  1
  Fe  Fe110  1  0.419032  0.185997  0.520013  1
  Fe  Fe111  1  0.439389  0.539011  0.478060  1
  Fe  Fe112  1  0.752366  0.852663  0.520013  1
  Fe  Fe113  1  0.772722  0.205678  0.478060  1
  Fe  Fe114  1  0.762603  0.529355  0.499051  1
  Fe  Fe115  1  0.106055  0.872345  0.478060  1
  Fe  Fe116  1  0.095936  0.196021  0.499051  1
  Fe  Fe117  1  0.429270  0.862688  0.499051  1
  Fe  Fe118  1  0.413976  0.659348  0.517482  1
  Fe  Fe119  1  0.747309  0.326015  0.517482  1
  Fe  Fe120  1  0.767665  0.679030  0.475530  1
  Fe  Fe121  1  0.080642  0.992682  0.517482  1
  Fe  Fe122  1  0.100999  0.345696  0.475530  1
  Fe  Fe123  1  0.090762  0.669005  0.496492  1
  Fe  Fe124  1  0.434332  0.012363  0.475530  1
  Fe  Fe125  1  0.424095  0.335672  0.496492  1
  Fe  Fe126  1  0.757428  0.002338  0.496492  1
  Fe  Fe127  1  0.251230  0.691255  0.508892  1
  Fe  Fe128  1  0.584563  0.357921  0.508892  1
  Fe  Fe129  1  0.605279  0.711260  0.467178  1
  Fe  Fe130  1  0.917897  0.024588  0.508892  1
  Fe  Fe131  1  0.938612  0.377926  0.467178  1
  Fe  Fe132  1  0.928287  0.700880  0.487944  1
  Fe  Fe133  1  0.271945  0.044593  0.467178  1
  Fe  Fe134  1  0.261620  0.367547  0.487944  1
  Fe  Fe135  1  0.594954  0.034214  0.487944  1
  Fe  Fe136  1  0.248086  0.487100  0.528365  1
  Fe  Fe137  1  0.581419  0.153766  0.528365  1
  Fe  Fe138  1  0.602134  0.507105  0.486650  1
  Fe  Fe139  1  0.914753  0.820433  0.528365  1
  Fe  Fe140  1  0.935468  0.173772  0.486650  1
  Fe  Fe141  1  0.925077  0.497479  0.507598  1
  Fe  Fe142  1  0.268801  0.840438  0.486650  1
  Fe  Fe143  1  0.258411  0.164146  0.507598  1
  Fe  Fe144  1  0.591744  0.830813  0.507598  1
  Fe  Fe145  1  0.055694  0.490090  0.581709  1
  Fe  Fe146  1  0.389028  0.156757  0.581709  1
  Fe  Fe147  1  0.409142  0.509638  0.540001  1
  Fe  Fe148  1  0.722361  0.823424  0.581709  1
  Fe  Fe149  1  0.742476  0.176305  0.540001  1
  Fe  Fe150  1  0.732029  0.499700  0.561281  1
  Fe  Fe151  1  0.075809  0.842971  0.540001  1
  Fe  Fe152  1  0.065362  0.166367  0.561281  1
  Fe  Fe153  1  0.398695  0.833034  0.561281  1
  Fe  Fe154  1  0.384232  0.630421  0.578241  1
  Fe  Fe155  1  0.717565  0.297088  0.578241  1
  Fe  Fe156  1  0.737078  0.649244  0.538840  1
  Fe  Fe157  1  0.050899  0.963754  0.578241  1
  Fe  Fe158  1  0.070412  0.315911  0.538840  1
  Fe  Fe159  1  0.060248  0.639374  0.559708  1
  Fe  Fe160  1  0.403745  0.982577  0.538840  1
  Fe  Fe161  1  0.393581  0.306040  0.559708  1
  Fe  Fe162  1  0.726914  0.972707  0.559708  1
  Fe  Fe163  1  0.221055  0.661613  0.571450  1
  Fe  Fe164  1  0.554388  0.328280  0.571450  1
  Fe  Fe165  1  0.574727  0.681125  0.529865  1
  Fe  Fe166  1  0.887722  0.994947  0.571450  1
  Fe  Fe167  1  0.908060  0.347792  0.529865  1
  Fe  Fe168  1  0.897932  0.671388  0.550792  1
  Fe  Fe169  1  0.241394  0.014459  0.529865  1
  Fe  Fe170  1  0.231265  0.338054  0.550792  1
  Fe  Fe171  1  0.564599  0.004721  0.550792  1
  Fe  Fe172  1  0.218555  0.459342  0.589335  1
  Fe  Fe173  1  0.551888  0.126008  0.589335  1
  Fe  Fe174  1  0.571037  0.477386  0.549323  1
  Fe  Fe175  1  0.885221  0.792675  0.589335  1
  Fe  Fe176  1  0.904371  0.144053  0.549323  1
  Fe  Fe177  1  0.894700  0.467786  0.570029  1
  Fe  Fe178  1  0.237704  0.810719  0.549323  1
  Fe  Fe179  1  0.228033  0.134452  0.570029  1
  Fe  Fe180  1  0.561366  0.801119  0.570029  1
  Fe  Fe181  1  0.025321  0.460433  0.646070  1
  Fe  Fe182  1  0.358654  0.127100  0.646070  1
  Fe  Fe183  1  0.377579  0.480617  0.603727  1
  Fe  Fe184  1  0.691988  0.793766  0.646070  1
  Fe  Fe185  1  0.710913  0.147283  0.603727  1
  Fe  Fe186  1  0.701226  0.469682  0.623653  1
  Fe  Fe187  1  0.044246  0.813950  0.603727  1
  Fe  Fe188  1  0.034559  0.136348  0.623653  1
  Fe  Fe189  1  0.367893  0.803015  0.623653  1
  Fe  Fe190  1  0.353076  0.600267  0.646283  1
  Fe  Fe191  1  0.686409  0.266934  0.646283  1
  Fe  Fe192  1  0.706567  0.619887  0.600575  1
  Fe  Fe193  1  0.019742  0.933600  0.646283  1
  Fe  Fe194  1  0.039900  0.286553  0.600575  1
  Fe  Fe195  1  0.030355  0.609310  0.622098  1
  Fe  Fe196  1  0.373234  0.953220  0.600575  1
  Fe  Fe197  1  0.363688  0.275976  0.622098  1
  Fe  Fe198  1  0.697021  0.942643  0.622098  1
  Fe  Fe199  1  0.190756  0.630798  0.634465  1
  Fe  Fe200  1  0.524089  0.297465  0.634465  1
  Fe  Fe201  1  0.544046  0.651986  0.591984  1
  Fe  Fe202  1  0.857422  0.964132  0.634465  1
  Fe  Fe203  1  0.877379  0.318653  0.591984  1
  Fe  Fe204  1  0.867732  0.642130  0.612991  1
  Fe  Fe205  1  0.210712  0.985319  0.591984  1
  Fe  Fe206  1  0.201065  0.308796  0.612991  1
  Fe  Fe207  1  0.534398  0.975463  0.612991  1
  Fe  Fe208  1  0.184586  0.422808  0.656660  1
  Fe  Fe209  1  0.517920  0.089475  0.656660  1
  Fe  Fe210  1  0.540084  0.447599  0.611694  1
  Fe  Fe211  1  0.851253  0.756142  0.656660  1
  Fe  Fe212  1  0.873417  0.114266  0.611694  1
  Fe  Fe213  1  0.863321  0.437404  0.632433  1
  Fe  Fe214  1  0.206751  0.780933  0.611694  1
  Fe  Fe215  1  0.196655  0.104071  0.632433  1
  Fe  Fe216  1  0.529988  0.770738  0.632433  1
  Fe  Fe217  1  0.992437  0.424252  0.702900  1
  Fe  Fe218  1  0.325771  0.090919  0.702900  1
  Fe  Fe219  1  0.348614  0.451428  0.664385  1
  Fe  Fe220  1  0.659104  0.757586  0.702900  1
  Fe  Fe221  1  0.681948  0.118095  0.664385  1
  Fe  Fe222  1  0.669085  0.436479  0.682953  1
  Fe  Fe223  1  0.015281  0.784762  0.664385  1
  Fe  Fe224  1  1.002418  0.103146  0.682953  1
  Fe  Fe225  1  0.335752  0.769812  0.682953  1
  Fe  Fe226  1  0.318431  0.571832  0.702233  1
  Fe  Fe227  1  0.651764  0.238499  0.702233  1
  Fe  Fe228  1  0.676320  0.589809  0.661382  1
  Fe  Fe229  1  0.985097  0.905166  0.702233  1
  Fe  Fe230  1  0.009653  0.256475  0.661382  1
  Fe  Fe231  1  0.996779  0.579977  0.681834  1
  Fe  Fe232  1  0.342987  0.923142  0.661382  1
  Fe  Fe233  1  0.330112  0.246644  0.681834  1
  Fe  Fe234  1  0.663445  0.913310  0.681834  1
  Fe  Fe235  1  0.160825  0.605047  0.693237  1
  Fe  Fe236  1  0.494159  0.271714  0.693237  1
  Fe  Fe237  1  0.514299  0.622309  0.653168  1
  Fe  Fe238  1  0.827492  0.938381  0.693237  1
  Fe  Fe239  1  0.847632  0.288976  0.653168  1
  Fe  Fe240  1  0.836898  0.613827  0.674275  1
  Fe  Fe241  1  0.180966  0.955643  0.653168  1
  Fe  Fe242  1  0.170232  0.280493  0.674275  1
  Fe  Fe243  1  0.503565  0.947160  0.674275  1
  Fe  Fe244  1  0.145848  0.392551  0.710765  1
  Fe  Fe245  1  0.479181  0.059218  0.710765  1
  Fe  Fe246  1  0.510913  0.421873  0.673024  1
  Fe  Fe247  1  0.812514  0.725884  0.710765  1
  Fe  Fe248  1  0.844246  0.088539  0.673024  1
  Fe  Fe249  1  0.833736  0.415021  0.691361  1
  Fe  Fe250  1  0.177580  0.755206  0.673024  1
  Fe  Fe251  1  0.167070  0.081688  0.691361  1
  Fe  Fe252  1  0.500403  0.748354  0.691361  1
  P  P253  1  0.276549  0.840809  0.283926  1
  P  P254  1  0.609882  0.507476  0.283926  1
  P  P255  1  0.592302  0.831406  0.302454  1
  P  P256  1  0.943215  0.174143  0.283926  1
  P  P257  1  0.925635  0.498073  0.302454  1
  P  P258  1  0.919454  0.822938  0.328537  1
  P  P259  1  0.258969  0.164739  0.302454  1
  P  P260  1  0.252788  0.489604  0.328537  1
  P  P261  1  0.586121  0.156271  0.328537  1
  P  P262  1  0.435830  0.548118  0.307322  1
  P  P263  1  0.769164  0.214785  0.307322  1
  P  P264  1  0.765905  0.534289  0.332212  1
  P  P265  1  0.102497  0.881451  0.307322  1
  P  P266  1  0.099238  0.200955  0.332212  1
  P  P267  1  0.121685  0.566259  0.287470  1
  P  P268  1  0.432572  0.867622  0.332212  1
  P  P269  1  0.455019  0.232926  0.287470  1
  P  P270  1  0.788352  0.899592  0.287470  1
  P  P271  1  0.275317  0.660801  0.305222  1
  P  P272  1  0.608650  0.327468  0.305222  1
  P  P273  1  0.602181  0.657535  0.328873  1
  P  P274  1  0.941983  0.994135  0.305222  1
  P  P275  1  0.935514  0.324201  0.328873  1
  P  P276  1  0.953664  0.674285  0.284452  1
  P  P277  1  0.268848  0.990868  0.328873  1
  P  P278  1  0.286998  0.340952  0.284452  1
  P  P279  1  0.620331  0.007619  0.284452  1
  P  P280  1  0.443284  0.728674  0.286950  1
  P  P281  1  0.776618  0.395341  0.286950  1
  P  P282  1  0.762311  0.708565  0.306733  1
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