# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   47.71699438
_cell_length_b   8.07043034
_cell_length_c   55.86876955
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.44330694
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe90 P360'
_cell_volume   21446.8736492
_cell_formula_units_Z   90
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  0.573554  0.672941  0.281731  1
  Fe  Fe2  1  0.909562  0.949557  0.337524  1
  Fe  Fe3  1  0.241447  0.795869  0.309021  1
  Fe  Fe4  1  0.408360  0.983045  0.323897  1
  Fe  Fe5  1  0.735497  0.842694  0.293764  1
  Fe  Fe6  1  0.069324  0.687718  0.271715  1
  Fe  Fe7  1  0.680812  0.588333  0.346018  1
  Fe  Fe8  1  0.010658  0.444499  0.314264  1
  Fe  Fe9  1  0.343196  0.321784  0.291044  1
  Fe  Fe10  1  0.511924  0.400423  0.329525  1
  Fe  Fe11  1  0.841481  0.265135  0.299066  1
  Fe  Fe12  1  0.168714  0.075752  0.275083  1
  Fe  Fe13  1  0.618903  0.858897  0.274277  1
  Fe  Fe14  1  0.963556  0.221152  0.326756  1
  Fe  Fe15  1  0.287123  0.010368  0.301048  1
  Fe  Fe16  1  0.458362  0.712503  0.326837  1
  Fe  Fe17  1  0.793346  0.519757  0.297480  1
  Fe  Fe18  1  0.113836  0.439058  0.273596  1
  Fe  Fe19  1  0.579283  0.100681  0.369175  1
  Fe  Fe20  1  0.920477  0.416328  0.431000  1
  Fe  Fe21  1  0.250175  0.256061  0.399761  1
  Fe  Fe22  1  0.420709  0.451941  0.416513  1
  Fe  Fe23  1  0.750308  0.290721  0.385807  1
  Fe  Fe24  1  0.079523  0.143356  0.356451  1
  Fe  Fe25  1  0.692458  0.055047  0.438108  1
  Fe  Fe26  1  0.021694  0.911097  0.407381  1
  Fe  Fe27  1  0.351340  0.747536  0.376367  1
  Fe  Fe28  1  0.525609  0.863606  0.421295  1
  Fe  Fe29  1  0.855098  0.708965  0.390485  1
  Fe  Fe30  1  0.184672  0.550255  0.359823  1
  Fe  Fe31  1  0.633150  0.371132  0.356980  1
  Fe  Fe32  1  0.973659  0.685289  0.417874  1
  Fe  Fe33  1  0.303628  0.524269  0.386928  1
  Fe  Fe34  1  0.469992  0.183588  0.417992  1
  Fe  Fe35  1  0.799421  0.026563  0.387333  1
  Fe  Fe36  1  0.128692  0.863137  0.356237  1
  Fe  Fe37  1  0.591175  0.568040  0.461551  1
  Fe  Fe38  1  0.932099  0.883322  0.522952  1
  Fe  Fe39  1  0.261694  0.729012  0.492015  1
  Fe  Fe40  1  0.432294  0.920239  0.508303  1
  Fe  Fe41  1  0.762014  0.758307  0.478250  1
  Fe  Fe42  1  0.091337  0.608588  0.446690  1
  Fe  Fe43  1  0.704099  0.520677  0.530190  1
  Fe  Fe44  1  0.033487  0.374728  0.498613  1
  Fe  Fe45  1  0.362697  0.215755  0.468224  1
  Fe  Fe46  1  0.537391  0.331034  0.512875  1
  Fe  Fe47  1  0.866663  0.176167  0.482847  1
  Fe  Fe48  1  0.196339  0.021450  0.451710  1
  Fe  Fe49  1  0.644530  0.833754  0.447896  1
  Fe  Fe50  1  0.985607  0.151255  0.509235  1
  Fe  Fe51  1  0.314835  0.994025  0.478256  1
  Fe  Fe52  1  0.481680  0.651182  0.509594  1
  Fe  Fe53  1  0.811328  0.491320  0.479283  1
  Fe  Fe54  1  0.140527  0.340261  0.447860  1
  Fe  Fe55  1  0.602908  0.031010  0.553299  1
  Fe  Fe56  1  0.942904  0.349088  0.613735  1
  Fe  Fe57  1  0.273261  0.197657  0.584111  1
  Fe  Fe58  1  0.444082  0.390912  0.599986  1
  Fe  Fe59  1  0.773693  0.223766  0.570542  1
  Fe  Fe60  1  0.103229  0.078940  0.538188  1
  Fe  Fe61  1  0.715798  0.983796  0.622243  1
  Fe  Fe62  1  0.045273  0.846020  0.590558  1
  Fe  Fe63  1  0.374103  0.685659  0.560033  1
  Fe  Fe64  1  0.549750  0.793721  0.603335  1
  Fe  Fe65  1  0.878351  0.637577  0.574485  1
  Fe  Fe66  1  0.207968  0.493619  0.543510  1
  Fe  Fe67  1  0.656410  0.299575  0.539515  1
  Fe  Fe68  1  0.997378  0.620211  0.600704  1
  Fe  Fe69  1  0.326393  0.465651  0.569946  1
  Fe  Fe70  1  0.493206  0.119624  0.600526  1
  Fe  Fe71  1  0.822654  0.957139  0.571123  1
  Fe  Fe72  1  0.152549  0.811266  0.539547  1
  Fe  Fe73  1  0.611817  0.494279  0.648161  1
  Fe  Fe74  1  0.954995  0.789528  0.696299  1
  Fe  Fe75  1  0.284272  0.659762  0.676635  1
  Fe  Fe76  1  0.457746  0.861044  0.689043  1
  Fe  Fe77  1  0.786182  0.686817  0.661507  1
  Fe  Fe78  1  0.114987  0.553902  0.630314  1
  Fe  Fe79  1  0.723452  0.478860  0.706754  1
  Fe  Fe80  1  0.056029  0.315756  0.680388  1
  Fe  Fe81  1  0.386316  0.157869  0.653383  1
  Fe  Fe82  1  0.559947  0.222950  0.686964  1
  Fe  Fe83  1  0.893399  0.095852  0.667765  1
  Fe  Fe84  1  0.219313  0.958720  0.635175  1
  Fe  Fe85  1  0.668154  0.764089  0.631978  1
  Fe  Fe86  1  0.009312  0.094238  0.685767  1
  Fe  Fe87  1  0.338865  0.935348  0.661324  1
  Fe  Fe88  1  0.504083  0.593675  0.686286  1
  Fe  Fe89  1  0.834512  0.423166  0.662860  1
  Fe  Fe90  1  0.163608  0.286421  0.631698  1
  P  P91  1  0.545445  0.928333  0.351305  1
  P  P92  1  0.876390  0.770177  0.320341  1
  P  P93  1  0.207452  0.614764  0.289845  1
  P  P94  1  0.380471  0.197514  0.349457  1
  P  P95  1  0.708792  0.037477  0.319445  1
  P  P96  1  0.039730  0.898737  0.289533  1
  P  P97  1  0.706635  0.302241  0.276766  1
  P  P98  1  0.040841  0.634573  0.335545  1
  P  P99  1  0.375515  0.476021  0.305335  1
  P  P100  1  0.538642  0.191027  0.305076  1
  P  P101  1  0.867384  0.035612  0.275931  1
  P  P102  1  0.211577  0.345877  0.334929  1
  P  P103  1  0.538890  0.853230  0.266086  1
  P  P104  1  0.877956  0.187482  0.329148  1
  P  P105  1  0.206850  0.018629  0.297119  1
  P  P106  1  0.708423  0.631464  0.309240  1
  P  P107  1  0.034370  0.504815  0.274748  1
  P  P108  1  0.377875  0.803050  0.338753  1
  P  P109  1  0.425917  0.774838  0.294292  1
  P  P110  1  0.756236  0.607922  0.267102  1
  P  P111  1  0.096014  0.944451  0.325809  1
  P  P112  1  0.590637  0.861989  0.306037  1
  P  P113  1  0.920157  0.712733  0.274345  1
  P  P114  1  0.261858  0.999404  0.334553  1
  P  P115  1  0.482344  0.143580  0.269204  1
  P  P116  1  0.827269  0.477178  0.327196  1
  P  P117  1  0.154971  0.324134  0.293192  1
  P  P118  1  0.657876  0.391642  0.320598  1
  P  P119  1  0.986781  0.250946  0.288923  1
  P  P120  1  0.328703  0.551988  0.350819  1
  P  P121  1  0.479401  0.487465  0.299053  1
  P  P122  1  0.810095  0.315825  0.267605  1
  P  P123  1  0.152415  0.639526  0.330446  1
  P  P124  1  0.644867  0.071793  0.285836  1
  P  P125  1  0.980291  0.890190  0.260460  1
  P  P126  1  0.317343  0.216863  0.319645  1
  P  P127  1  0.422881  0.399324  0.265614  1
  P  P128  1  0.769943  0.749242  0.322531  1
  P  P129  1  0.094316  0.594197  0.302410  1
  P  P130  1  0.605040  0.172088  0.335321  1
  P  P131  1  0.934336  0.027917  0.303286  1
  P  P132  1  0.264340  0.833911  0.272196  1
  P  P133  1  0.431563  0.513853  0.342393  1
  P  P134  1  0.762167  0.343429  0.313104  1
  P  P135  1  0.090778  0.208441  0.277966  1
  P  P136  1  0.599009  0.578480  0.347182  1
  P  P137  1  0.928232  0.431898  0.317799  1
  P  P138  1  0.259698  0.244928  0.286341  1
  P  P139  1  0.490033  0.888371  0.312186  1
  P  P140  1  0.819705  0.729053  0.280381  1
  P  P141  1  0.160593  0.045836  0.341536  1
  P  P142  1  0.651742  0.650160  0.275738  1
  P  P143  1  0.992880  0.992008  0.335964  1
  P  P144  1  0.322527  0.812754  0.305091  1
  P  P145  1  0.597286  0.424102  0.288461  1
  P  P146  1  0.939869  0.747988  0.351486  1
  P  P147  1  0.270303  0.571316  0.319719  1
  P  P148  1  0.434968  0.177449  0.310515  1
  P  P149  1  0.763992  0.020313  0.276917  1
  P  P150  1  0.107532  0.324728  0.340216  1
  P  P151  1  0.652275  0.812444  0.334257  1
  P  P152  1  0.979882  0.664103  0.305199  1
  P  P153  1  0.312147  0.481784  0.271218  1
  P  P154  1  0.486565  0.216694  0.347432  1
  P  P155  1  0.816342  0.059926  0.316626  1
  P  P156  1  0.142671  0.871733  0.282992  1
  P  P157  1  0.541495  0.600075  0.313088  1
  P  P158  1  0.873144  0.439522  0.281100  1
  P  P159  1  0.212924  0.757877  0.344387  1
  P  P160  1  0.373698  0.073678  0.290167  1
  P  P161  1  0.702088  0.897846  0.262350  1
  P  P162  1  0.045372  0.237790  0.322721  1
  P  P163  1  0.558214  0.397876  0.441958  1
  P  P164  1  0.887645  0.243497  0.411518  1
  P  P165  1  0.216611  0.084414  0.381153  1
  P  P166  1  0.392068  0.666872  0.440701  1
  P  P167  1  0.721818  0.505656  0.410390  1
  P  P168  1  0.050954  0.359541  0.379720  1
  P  P169  1  0.715370  0.770893  0.364656  1
  P  P170  1  0.055832  0.093616  0.425428  1
  P  P171  1  0.385271  0.932789  0.395121  1
  P  P172  1  0.552846  0.662678  0.396300  1
  P  P173  1  0.882835  0.508654  0.366177  1
  P  P174  1  0.223383  0.820146  0.426498  1
  P  P175  1  0.548375  0.340208  0.359763  1
  P  P176  1  0.889587  0.655171  0.421404  1
  P  P177  1  0.219308  0.495638  0.390549  1
  P  P178  1  0.719782  0.097218  0.401319  1
  P  P179  1  0.048521  0.959004  0.369473  1
  P  P180  1  0.389929  0.260311  0.431189  1
  P  P181  1  0.436261  0.239779  0.387477  1
  P  P182  1  0.765271  0.072064  0.357187  1
  P  P183  1  0.106787  0.396809  0.417199  1
  P  P184  1  0.604336  0.311712  0.392957  1
  P  P185  1  0.934039  0.158926  0.362271  1
  P  P186  1  0.275383  0.466448  0.423367  1
  P  P187  1  0.495385  0.626244  0.357092  1
  P  P188  1  0.836414  0.940289  0.417697  1
  P  P189  1  0.165733  0.780637  0.386916  1
  P  P190  1  0.670110  0.860049  0.412507  1
  P  P191  1  0.998411  0.719718  0.382136  1
  P  P192  1  0.340274  0.021035  0.442604  1
  P  P193  1  0.492395  0.952744  0.392453  1
  P  P194  1  0.821812  0.797513  0.361929  1
  P  P195  1  0.163317  0.108339  0.422627  1
  P  P196  1  0.658519  0.544683  0.381041  1
  P  P197  1  0.988284  0.394711  0.350722  1
  P  P198  1  0.329113  0.700459  0.411477  1
  P  P199  1  0.439369  0.910389  0.355258  1
  P  P200  1  0.780876  0.222977  0.415895  1
  P  P201  1  0.110525  0.063109  0.385777  1
  P  P202  1  0.615983  0.629219  0.427025  1
  P  P203  1  0.945354  0.479688  0.396493  1
  P  P204  1  0.275162  0.319916  0.365762  1
  P  P205  1  0.443104  0.976210  0.433878  1
  P  P206  1  0.773024  0.815383  0.404124  1
  P  P207  1  0.101545  0.665527  0.371154  1
  P  P208  1  0.610739  0.045514  0.438635  1
  P  P209  1  0.939609  0.896959  0.408905  1
  P  P210  1  0.269720  0.731363  0.377707  1
  P  P211  1  0.500994  0.362721  0.402919  1
  P  P212  1  0.830078  0.207235  0.371843  1
  P  P213  1  0.171606  0.519848  0.433146  1
  P  P214  1  0.662949  0.133279  0.368080  1
  P  P215  1  1.004184  0.452125  0.427973  1
  P  P216  1  0.333736  0.290800  0.397560  1
  P  P217  1  0.610189  0.893511  0.381438  1
  P  P218  1  0.951547  0.210496  0.443101  1
  P  P219  1  0.280757  0.048656  0.412111  1
  P  P220  1  0.446156  0.646201  0.399640  1
  P  P221  1  0.775560  0.488790  0.368572  1
  P  P222  1  0.116777  0.801812  0.429646  1
  P  P223  1  0.663518  0.277433  0.425638  1
  P  P224  1  0.992350  0.129516  0.395260  1
  P  P225  1  0.322059  0.966150  0.364985  1
  P  P226  1  0.498351  0.683987  0.438719  1
  P  P227  1  0.828014  0.526460  0.408193  1
  P  P228  1  0.157963  0.371133  0.377845  1
  P  P229  1  0.553349  0.074756  0.406090  1
  P  P230  1  0.882780  0.921872  0.375039  1
  P  P231  1  0.223985  0.231876  0.436385  1
  P  P232  1  0.385038  0.527626  0.384877  1
  P  P233  1  0.714307  0.363411  0.355082  1
  P  P234  1  0.055648  0.687808  0.415110  1
  P  P235  1  0.569937  0.865513  0.533207  1
  P  P236  1  0.899187  0.711858  0.503229  1
  P  P237  1  0.228877  0.556539  0.472253  1
  P  P238  1  0.403507  0.136873  0.532228  1
  P  P239  1  0.733378  0.973248  0.502345  1
  P  P240  1  0.062823  0.825551  0.470852  1
  P  P241  1  0.726593  0.240155  0.456467  1
  P  P242  1  0.067562  0.561432  0.516781  1
  P  P243  1  0.396709  0.402296  0.486608  1
  P  P244  1  0.564582  0.132076  0.487548  1
  P  P245  1  0.893761  0.978145  0.457465  1
  P  P246  1  0.234941  0.292576  0.518129  1
  P  P247  1  0.560198  0.807520  0.451910  1
  P  P248  1  0.901334  0.120539  0.513385  1
  P  P249  1  0.230766  0.966861  0.482202  1
  P  P250  1  0.731505  0.563487  0.493328  1
  P  P251  1  0.060617  0.419413  0.461359  1
  P  P252  1  0.401504  0.728406  0.523012  1
  P  P253  1  0.447797  0.707301  0.479168  1
  P  P254  1  0.777423  0.545121  0.449309  1
  P  P255  1  0.118676  0.865713  0.509228  1
  P  P256  1  0.616362  0.778375  0.484472  1
  P  P257  1  0.945635  0.626438  0.454307  1
  P  P258  1  0.286865  0.939026  0.514976  1
  P  P259  1  0.506799  0.095005  0.448531  1
  P  P260  1  0.848006  0.406793  0.509806  1
  P  P261  1  0.177292  0.253441  0.478604  1
  P  P262  1  0.681955  0.325678  0.504292  1
  P  P263  1  0.010933  0.180676  0.473103  1
  P  P264  1  0.351774  0.490641  0.534357  1
  P  P265  1  0.504329  0.421893  0.483694  1
  P  P266  1  0.833744  0.262494  0.453645  1
  P  P267  1  0.175119  0.580476  0.514014  1
  P  P268  1  0.669983  0.010149  0.472687  1
  P  P269  1  0.999543  0.860962  0.442170  1
  P  P270  1  0.340356  0.171299  0.503027  1
  P  P271  1  0.451200  0.380730  0.446588  1
  P  P272  1  0.792618  0.688864  0.507999  1
  P  P273  1  0.121928  0.538440  0.476652  1
  P  P274  1  0.627800  0.094453  0.518837  1
  P  P275  1  0.956886  0.946928  0.488135  1
  P  P276  1  0.286395  0.787576  0.457403  1
  P  P277  1  0.454660  0.444321  0.525118  1
  P  P278  1  0.784585  0.282184  0.495827  1
  P  P279  1  0.113772  0.133793  0.463825  1
  P  P280  1  0.622424  0.511488  0.530083  1
  P  P281  1  0.951681  0.361288  0.500308  1
  P  P282  1  0.281086  0.204657  0.469232  1
  P  P283  1  0.512483  0.830508  0.494480  1
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  P  P449  1  0.749015  0.760287  0.631849  1
  P  P450  1  0.088442  0.106573  0.693148  1
