# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.32647030
_cell_length_b   18.06996637
_cell_length_c   49.92228892
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.14621663
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe126 P252'
_cell_volume   15621.9260637
_cell_formula_units_Z   126
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  0.155047  0.507010  0.343715  1
  Fe  Fe2  1  0.512989  0.219708  0.284133  1
  Fe  Fe3  1  0.511776  0.527888  0.303658  1
  Fe  Fe4  1  0.846222  0.886254  0.284040  1
  Fe  Fe5  1  0.845755  0.195060  0.303499  1
  Fe  Fe6  1  0.834556  0.516596  0.323056  1
  Fe  Fe7  1  0.180062  0.862894  0.303929  1
  Fe  Fe8  1  0.167823  0.183835  0.323540  1
  Fe  Fe9  1  0.500397  0.850063  0.323076  1
  Fe  Fe10  1  0.326175  0.676967  0.331739  1
  Fe  Fe11  1  0.662329  0.348764  0.331883  1
  Fe  Fe12  1  0.684291  0.698050  0.295207  1
  Fe  Fe13  1  0.995794  0.015213  0.332043  1
  Fe  Fe14  1  0.024083  0.374149  0.296433  1
  Fe  Fe15  1  0.010665  0.679858  0.312407  1
  Fe  Fe16  1  0.350871  0.030633  0.295368  1
  Fe  Fe17  1  0.342682  0.345338  0.313207  1
  Fe  Fe18  1  0.675988  0.011722  0.312949  1
  Fe  Fe19  1  0.124754  0.478764  0.403318  1
  Fe  Fe20  1  0.490458  0.177416  0.337165  1
  Fe  Fe21  1  0.480413  0.498695  0.357702  1
  Fe  Fe22  1  0.823292  0.844588  0.337218  1
  Fe  Fe23  1  0.814882  0.166394  0.357448  1
  Fe  Fe24  1  0.802779  0.487539  0.381723  1
  Fe  Fe25  1  0.147306  0.832464  0.357949  1
  Fe  Fe26  1  0.135690  0.153918  0.382077  1
  Fe  Fe27  1  0.469209  0.820837  0.381633  1
  Fe  Fe28  1  0.296048  0.649133  0.391862  1
  Fe  Fe29  1  0.629268  0.315209  0.391444  1
  Fe  Fe30  1  0.652791  0.672897  0.351989  1
  Fe  Fe31  1  0.962093  0.981545  0.391602  1
  Fe  Fe32  1  0.986212  0.339637  0.352250  1
  Fe  Fe33  1  0.975670  0.662305  0.368249  1
  Fe  Fe34  1  0.320327  0.006822  0.352312  1
  Fe  Fe35  1  0.307955  0.328825  0.369448  1
  Fe  Fe36  1  0.640062  0.994638  0.370792  1
  Fe  Fe37  1  0.091542  0.448470  0.461520  1
  Fe  Fe38  1  0.456147  0.145719  0.405497  1
  Fe  Fe39  1  0.444963  0.466350  0.426265  1
  Fe  Fe40  1  0.791220  0.809141  0.405395  1
  Fe  Fe41  1  0.777834  0.132814  0.425833  1
  Fe  Fe42  1  0.771146  0.458291  0.440382  1
  Fe  Fe43  1  0.110953  0.799455  0.426170  1
  Fe  Fe44  1  0.104269  0.124808  0.440715  1
  Fe  Fe45  1  0.437409  0.791116  0.440271  1
  Fe  Fe46  1  0.265915  0.622753  0.451256  1
  Fe  Fe47  1  0.599685  0.289186  0.450770  1
  Fe  Fe48  1  0.618087  0.637290  0.412843  1
  Fe  Fe49  1  0.931869  0.955534  0.451051  1
  Fe  Fe50  1  0.951426  0.304269  0.412938  1
  Fe  Fe51  1  0.936590  0.626347  0.437933  1
  Fe  Fe52  1  0.284604  0.970634  0.413256  1
  Fe  Fe53  1  0.271394  0.292668  0.437254  1
  Fe  Fe54  1  0.609707  0.964796  0.429304  1
  Fe  Fe55  1  0.054053  0.411312  0.531101  1
  Fe  Fe56  1  0.426482  0.110890  0.461840  1
  Fe  Fe57  1  0.412320  0.435877  0.482975  1
  Fe  Fe58  1  0.756587  0.782228  0.462201  1
  Fe  Fe59  1  0.745809  0.103716  0.482901  1
  Fe  Fe60  1  0.732241  0.423443  0.510412  1
  Fe  Fe61  1  0.078506  0.769695  0.483008  1
  Fe  Fe62  1  0.064642  0.089650  0.510314  1
  Fe  Fe63  1  0.398670  0.757289  0.510297  1
  Fe  Fe64  1  0.223795  0.582164  0.521174  1
  Fe  Fe65  1  0.557338  0.248646  0.521043  1
  Fe  Fe66  1  0.587224  0.610973  0.472114  1
  Fe  Fe67  1  0.890008  0.915787  0.521169  1
  Fe  Fe68  1  0.920561  0.277569  0.472215  1
  Fe  Fe69  1  0.905370  0.596652  0.496688  1
  Fe  Fe70  1  0.253381  0.944480  0.472356  1
  Fe  Fe71  1  0.240079  0.264320  0.494156  1
  Fe  Fe72  1  0.570563  0.929163  0.499228  1
  Fe  Fe73  1  0.019541  0.384289  0.587922  1
  Fe  Fe74  1  0.383730  0.081583  0.532068  1
  Fe  Fe75  1  0.373727  0.401959  0.552968  1
  Fe  Fe76  1  0.719237  0.744807  0.531928  1
  Fe  Fe77  1  0.706360  0.068085  0.552730  1
  Fe  Fe78  1  0.699831  0.393649  0.567303  1
  Fe  Fe79  1  0.039731  0.734862  0.553063  1
  Fe  Fe80  1  0.032597  0.060340  0.567219  1
  Fe  Fe81  1  0.366225  0.726883  0.567048  1
  Fe  Fe82  1  0.192974  0.555814  0.580419  1
  Fe  Fe83  1  0.526296  0.222187  0.580251  1
  Fe  Fe84  1  0.545104  0.570699  0.542057  1
  Fe  Fe85  1  0.859562  0.889044  0.580527  1
  Fe  Fe86  1  0.878703  0.237781  0.542350  1
  Fe  Fe87  1  0.874306  0.566933  0.555468  1
  Fe  Fe88  1  0.211100  0.904012  0.542351  1
  Fe  Fe89  1  0.200641  0.229294  0.563543  1
  Fe  Fe90  1  0.539793  0.900448  0.556038  1
  Fe  Fe91  1  0.988186  0.348314  0.656073  1
  Fe  Fe92  1  0.353141  0.046992  0.590143  1
  Fe  Fe93  1  0.342029  0.372373  0.611544  1
  Fe  Fe94  1  0.686337  0.714651  0.590167  1
  Fe  Fe95  1  0.675301  0.039069  0.611479  1
  Fe  Fe96  1  0.663364  0.360118  0.635701  1
  Fe  Fe97  1  0.008710  0.705862  0.611851  1
  Fe  Fe98  1  0.996614  0.027071  0.635876  1
  Fe  Fe99  1  0.331024  0.694348  0.635466  1
  Fe  Fe100  1  0.158561  0.519964  0.641309  1
  Fe  Fe101  1  0.491698  0.186259  0.641020  1
  Fe  Fe102  1  0.515324  0.544017  0.601462  1
  Fe  Fe103  1  0.825703  0.853577  0.641204  1
  Fe  Fe104  1  0.848888  0.211644  0.601830  1
  Fe  Fe105  1  0.835636  0.530995  0.625195  1
  Fe  Fe106  1  0.181509  0.877332  0.601670  1
  Fe  Fe107  1  0.170961  0.198869  0.621932  1
  Fe  Fe108  1  0.502282  0.864536  0.624343  1
  Fe  Fe109  1  0.966287  0.306155  0.709259  1
  Fe  Fe110  1  0.323071  0.018608  0.649986  1
  Fe  Fe111  1  0.311219  0.342724  0.670059  1
  Fe  Fe112  1  0.656536  0.686283  0.649722  1
  Fe  Fe113  1  0.643863  0.009602  0.670057  1
  Fe  Fe114  1  0.632242  0.330753  0.689684  1
  Fe  Fe115  1  0.977364  0.676853  0.670361  1
  Fe  Fe116  1  0.966889  0.999089  0.689855  1
  Fe  Fe117  1  0.299619  0.664651  0.689517  1
  Fe  Fe118  1  0.127322  0.494858  0.698088  1
  Fe  Fe119  1  0.454352  0.152185  0.696930  1
  Fe  Fe120  1  0.485332  0.516092  0.661596  1
  Fe  Fe121  1  0.788219  0.818785  0.697050  1
  Fe  Fe122  1  0.815978  0.177684  0.661385  1
  Fe  Fe123  1  0.800998  0.513424  0.681025  1
  Fe  Fe124  1  0.151927  0.849196  0.661787  1
  Fe  Fe125  1  0.136473  0.180618  0.679842  1
  Fe  Fe126  1  0.468463  0.846104  0.680476  1
  P  P127  1  0.430467  0.640597  0.298846  1
  P  P128  1  0.766066  0.308541  0.298753  1
  P  P129  1  0.759762  0.631448  0.322399  1
  P  P130  1  0.099561  0.975497  0.298981  1
  P  P131  1  0.093398  0.298748  0.322670  1
  P  P132  1  0.106372  0.655426  0.279500  1
  P  P133  1  0.427050  0.965058  0.322722  1
  P  P134  1  0.440599  0.322973  0.278269  1
  P  P135  1  0.773814  0.988970  0.277684  1
  P  P136  1  0.262592  0.753712  0.295057  1
  P  P137  1  0.595550  0.419625  0.294689  1
  P  P138  1  0.578531  0.738348  0.316169  1
  P  P139  1  0.929545  0.086106  0.294642  1
  P  P140  1  0.913460  0.406013  0.316201  1
  P  P141  1  0.904420  0.732478  0.334995  1
  P  P142  1  0.246174  0.072602  0.316651  1
  P  P143  1  0.236763  0.398000  0.336394  1
  P  P144  1  0.571900  0.065390  0.335200  1
  P  P145  1  0.436458  0.826200  0.280759  1
  P  P146  1  0.769740  0.492577  0.280762  1
  P  P147  1  0.756192  0.805900  0.296907  1
  P  P148  1  0.103291  0.160093  0.281224  1
  P  P149  1  0.094685  0.476942  0.299439  1
  P  P150  1  0.078379  0.797128  0.318368  1
  P  P151  1  0.423539  0.138871  0.296850  1
  P  P152  1  0.409320  0.463299  0.318498  1
  P  P153  1  0.745415  0.128472  0.318104  1
  P  P154  1  0.254143  0.574299  0.316027  1
  P  P155  1  0.595672  0.242608  0.316400  1
  P  P156  1  0.584271  0.563341  0.337835  1
  P  P157  1  0.928297  0.909900  0.316402  1
  P  P158  1  0.919213  0.231018  0.337331  1
  P  P159  1  0.934141  0.581584  0.295512  1
  P  P160  1  0.251847  0.896911  0.338364  1
  P  P161  1  0.268784  0.248034  0.296135  1
  P  P162  1  0.601431  0.914562  0.295532  1
  P  P163  1  0.400750  0.609288  0.362692  1
  P  P164  1  0.735084  0.276552  0.362614  1
  P  P165  1  0.723766  0.600819  0.384328  1
  P  P166  1  0.068330  0.943308  0.362976  1
  P  P167  1  0.057240  0.267572  0.384587  1
  P  P168  1  0.081601  0.619033  0.343079  1
  P  P169  1  0.389915  0.933630  0.384485  1
  P  P170  1  0.414379  0.286449  0.343654  1
  P  P171  1  0.746828  0.952975  0.343459  1
  P  P172  1  0.223723  0.719033  0.358319  1
  P  P173  1  0.557266  0.385705  0.358002  1
  P  P174  1  0.547444  0.707311  0.379157  1
  P  P175  1  0.890494  0.052376  0.358073  1
  P  P176  1  0.880415  0.374131  0.379201  1
  P  P177  1  0.872122  0.697880  0.399657  1
  P  P178  1  0.214422  0.040830  0.379489  1
  P  P179  1  0.204968  0.364324  0.400251  1
  P  P180  1  0.534998  0.033568  0.398200  1
  P  P181  1  0.400121  0.785366  0.342017  1
  P  P182  1  0.733956  0.453623  0.342127  1
  P  P183  1  0.726718  0.779160  0.362590  1
  P  P184  1  0.067313  0.119942  0.342505  1
  P  P185  1  0.056365  0.445641  0.363813  1
  P  P186  1  0.046896  0.768693  0.382745  1
  P  P187  1  0.392329  0.113995  0.362530  1
  P  P188  1  0.380702  0.435118  0.383089  1
  P  P189  1  0.713663  0.102753  0.382461  1
  P  P190  1  0.226782  0.541064  0.380384  1
  P  P191  1  0.557624  0.207549  0.379471  1
  P  P192  1  0.545884  0.530361  0.400275  1
  P  P193  1  0.891546  0.873440  0.379378  1
  P  P194  1  0.879490  0.197162  0.400087  1
  P  P195  1  0.904968  0.551821  0.359565  1
  P  P196  1  0.212329  0.863691  0.400643  1
  P  P197  1  0.238058  0.217943  0.360226  1
  P  P198  1  0.571890  0.883512  0.359308  1
  P  P199  1  0.369668  0.579495  0.425262  1
  P  P200  1  0.702778  0.246089  0.424863  1
  P  P201  1  0.691091  0.568210  0.446393  1
  P  P202  1  0.035340  0.912287  0.425124  1
  P  P203  1  0.024034  0.234467  0.446470  1
  P  P204  1  0.042976  0.592400  0.405339  1
  P  P205  1  0.357993  0.901697  0.446675  1
  P  P206  1  0.377028  0.258259  0.405656  1
  P  P207  1  0.714542  0.923567  0.404487  1
  P  P208  1  0.190353  0.689174  0.420519  1
  P  P209  1  0.524320  0.355936  0.420343  1
  P  P210  1  0.513186  0.678695  0.441558  1
  P  P211  1  0.857798  0.022969  0.420406  1
  P  P212  1  0.846475  0.345019  0.441595  1
  P  P213  1  0.833470  0.667996  0.463336  1
  P  P214  1  0.179225  0.011489  0.441828  1
  P  P215  1  0.166380  0.335001  0.463056  1
  P  P216  1  0.505796  0.999322  0.462196  1
  P  P217  1  0.366103  0.757149  0.403425  1
  P  P218  1  0.699561  0.423991  0.403483  1
  P  P219  1  0.688253  0.746127  0.424539  1
  P  P220  1  0.032776  0.090250  0.403752  1
  P  P221  1  0.021997  0.413258  0.424761  1
  P  P222  1  0.008945  0.734867  0.445672  1
  P  P223  1  0.355139  0.079230  0.424717  1
  P  P224  1  0.342672  0.401775  0.445684  1
  P  P225  1  0.676601  0.068579  0.445143  1
  P  P226  1  0.192967  0.512882  0.442706  1
  P  P227  1  0.527537  0.178883  0.442883  1
  P  P228  1  0.515738  0.500767  0.463929  1
  P  P229  1  0.859918  0.845795  0.442986  1
  P  P230  1  0.848959  0.167491  0.463821  1
  P  P231  1  0.871646  0.521869  0.421694  1
  P  P232  1  0.181867  0.834036  0.464084  1
  P  P233  1  0.204879  0.187912  0.421960  1
  P  P234  1  0.538394  0.855568  0.421349  1
  P  P235  1  0.330277  0.548922  0.488407  1
  P  P236  1  0.663642  0.215769  0.488231  1
  P  P237  1  0.650928  0.537359  0.509537  1
  P  P238  1  0.996572  0.882522  0.488453  1
  P  P239  1  0.984736  0.204473  0.509722  1
  P  P240  1  0.012314  0.557905  0.468361  1
  P  P241  1  0.316709  0.870658  0.509724  1
  P  P242  1  0.347027  0.223527  0.468514  1
  P  P243  1  0.675134  0.893479  0.467266  1
  P  P244  1  0.159981  0.655838  0.483827  1
  P  P245  1  0.494143  0.322402  0.483563  1
  P  P246  1  0.480770  0.644329  0.504856  1
  P  P247  1  0.825695  0.988853  0.483621  1
  P  P248  1  0.814104  0.310770  0.504970  1
  P  P249  1  0.798580  0.635436  0.525065  1
  P  P250  1  0.147143  0.977543  0.505118  1
  P  P251  1  0.135310  0.300049  0.525912  1
  P  P252  1  0.463536  0.969707  0.524985  1
  P  P253  1  0.336970  0.726334  0.466864  1
  P  P254  1  0.670650  0.392774  0.466842  1
  P  P255  1  0.655887  0.716573  0.487802  1
  P  P256  1  0.003247  0.059192  0.467003  1
  P  P257  1  0.990214  0.382449  0.487894  1
  P  P258  1  0.978165  0.705544  0.508957  1
  P  P259  1  0.323452  0.049575  0.487783  1
  P  P260  1  0.312067  0.371432  0.508903  1
  P  P261  1  0.645006  0.038662  0.508637  1
  P  P262  1  0.154991  0.476736  0.505575  1
  P  P263  1  0.487150  0.143401  0.505610  1
  P  P264  1  0.474068  0.466919  0.526374  1
  P  P265  1  0.820396  0.810933  0.505449  1
  P  P266  1  0.807185  0.134051  0.526361  1
  P  P267  1  0.832575  0.487712  0.484457  1
  P  P268  1  0.140094  0.800280  0.526572  1
  P  P269  1  0.165641  0.154666  0.484722  1
  P  P270  1  0.498856  0.821869  0.484369  1
  P  P271  1  0.297977  0.514638  0.551684  1
  P  P272  1  0.631300  0.181532  0.551601  1
  P  P273  1  0.620708  0.504020  0.572867  1
  P  P274  1  0.964035  0.847975  0.551759  1
  P  P275  1  0.952766  0.170313  0.572877  1
  P  P276  1  0.977275  0.525404  0.530044  1
  P  P277  1  0.286771  0.837226  0.572902  1
  P  P278  1  0.305123  0.193669  0.530979  1
  P  P279  1  0.644498  0.858374  0.530271  1
  P  P280  1  0.119851  0.625061  0.546980  1
  P  P281  1  0.452896  0.291316  0.546695  1
  P  P282  1  0.441573  0.613759  0.568030  1
  P  P283  1  0.786625  0.958724  0.546992  1
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