# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   48.46807603
_cell_length_b   9.71734076
_cell_length_c   49.58313706
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.29786613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe90 P360'
_cell_volume   23237.1538814
_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  0.166487  0.088825  0.296840  1
  Fe  Fe2  1  0.497765  0.942686  0.319015  1
  Fe  Fe3  1  0.831154  0.781012  0.344314  1
  Fe  Fe4  1  0.000747  0.832606  0.322507  1
  Fe  Fe5  1  0.331921  0.715480  0.347196  1
  Fe  Fe6  1  0.673859  0.028783  0.298545  1
  Fe  Fe7  1  0.270898  0.452506  0.304144  1
  Fe  Fe8  1  0.603288  0.307944  0.329468  1
  Fe  Fe9  1  0.932557  0.166440  0.355323  1
  Fe  Fe10  1  0.105291  0.384371  0.326600  1
  Fe  Fe11  1  0.433961  0.242754  0.353676  1
  Fe  Fe12  1  0.778704  0.534122  0.306643  1
  Fe  Fe13  1  0.220209  0.547645  0.335095  1
  Fe  Fe14  1  0.551231  0.393239  0.361539  1
  Fe  Fe15  1  0.883459  0.690381  0.315936  1
  Fe  Fe16  1  0.045142  0.894252  0.360972  1
  Fe  Fe17  1  0.388621  0.193123  0.315391  1
  Fe  Fe18  1  0.717539  0.049500  0.337879  1
  Fe  Fe19  1  0.160198  0.635224  0.373003  1
  Fe  Fe20  1  0.491188  0.482735  0.403168  1
  Fe  Fe21  1  0.821146  0.322717  0.432934  1
  Fe  Fe22  1  0.993047  0.400896  0.402459  1
  Fe  Fe23  1  0.324237  0.249987  0.430170  1
  Fe  Fe24  1  0.662372  0.554815  0.375631  1
  Fe  Fe25  1  0.264621  1.010837  0.382761  1
  Fe  Fe26  1  0.595172  0.854986  0.411604  1
  Fe  Fe27  1  0.926308  0.700419  0.439096  1
  Fe  Fe28  1  0.096883  0.931790  0.411117  1
  Fe  Fe29  1  0.428511  0.778838  0.440594  1
  Fe  Fe30  1  0.764298  0.080697  0.381179  1
  Fe  Fe31  1  0.212104  0.080346  0.418121  1
  Fe  Fe32  1  0.543127  0.926415  0.446332  1
  Fe  Fe33  1  0.880954  0.235223  0.389970  1
  Fe  Fe34  1  0.038401  0.427148  0.445632  1
  Fe  Fe35  1  0.377152  0.741818  0.388914  1
  Fe  Fe36  1  0.707544  0.583086  0.418545  1
  Fe  Fe37  1  0.152656  0.173327  0.458438  1
  Fe  Fe38  1  0.483945  0.019736  0.487852  1
  Fe  Fe39  1  0.814758  0.862924  0.516314  1
  Fe  Fe40  1  0.986200  0.937576  0.487071  1
  Fe  Fe41  1  0.316970  0.786811  0.514058  1
  Fe  Fe42  1  0.654987  0.091723  0.459369  1
  Fe  Fe43  1  0.257179  0.548093  0.466511  1
  Fe  Fe44  1  0.587899  0.390165  0.496111  1
  Fe  Fe45  1  0.919022  0.236209  0.523532  1
  Fe  Fe46  1  0.089846  0.469628  0.496388  1
  Fe  Fe47  1  0.421080  0.316827  0.524406  1
  Fe  Fe48  1  0.759063  0.621036  0.469401  1
  Fe  Fe49  1  0.204996  0.620079  0.501701  1
  Fe  Fe50  1  0.536094  0.466418  0.530521  1
  Fe  Fe51  1  0.874222  0.772823  0.474197  1
  Fe  Fe52  1  0.031428  0.968815  0.529332  1
  Fe  Fe53  1  0.369366  0.277324  0.473401  1
  Fe  Fe54  1  0.700658  0.119211  0.502242  1
  Fe  Fe55  1  0.145555  0.710243  0.543100  1
  Fe  Fe56  1  0.476515  0.555664  0.572203  1
  Fe  Fe57  1  0.807324  0.399860  0.600142  1
  Fe  Fe58  1  0.977265  0.472026  0.568210  1
  Fe  Fe59  1  0.309721  0.323795  0.599059  1
  Fe  Fe60  1  0.647827  0.628719  0.543323  1
  Fe  Fe61  1  0.249980  0.087788  0.549917  1
  Fe  Fe62  1  0.582989  0.922075  0.577688  1
  Fe  Fe63  1  0.914196  0.767583  0.605650  1
  Fe  Fe64  1  0.082984  1.005850  0.580606  1
  Fe  Fe65  1  0.413424  0.853299  0.607681  1
  Fe  Fe66  1  0.751931  0.158205  0.553137  1
  Fe  Fe67  1  0.198008  0.157054  0.585348  1
  Fe  Fe68  1  0.522730  1.007239  0.620590  1
  Fe  Fe69  1  0.867377  0.312241  0.557726  1
  Fe  Fe70  1  0.028608  0.506156  0.621197  1
  Fe  Fe71  1  0.361902  0.816795  0.557197  1
  Fe  Fe72  1  0.693006  0.654757  0.586985  1
  Fe  Fe73  1  0.139669  0.245456  0.627628  1
  Fe  Fe74  1  0.471012  0.094221  0.652028  1
  Fe  Fe75  1  0.803966  0.949244  0.676049  1
  Fe  Fe76  1  0.970132  0.017386  0.654048  1
  Fe  Fe77  1  0.295615  0.866451  0.673260  1
  Fe  Fe78  1  0.640395  0.161489  0.626754  1
  Fe  Fe79  1  0.243254  0.624475  0.635272  1
  Fe  Fe80  1  0.575420  0.462151  0.663004  1
  Fe  Fe81  1  0.908044  0.311507  0.682677  1
  Fe  Fe82  1  0.074624  0.554256  0.660323  1
  Fe  Fe83  1  0.399687  0.379719  0.682196  1
  Fe  Fe84  1  0.743189  0.688973  0.635661  1
  Fe  Fe85  1  0.190573  0.712267  0.664158  1
  Fe  Fe86  1  0.526456  0.531652  0.691699  1
  Fe  Fe87  1  0.854357  0.855271  0.645860  1
  Fe  Fe88  1  0.013804  0.034564  0.690433  1
  Fe  Fe89  1  0.356445  0.351374  0.642972  1
  Fe  Fe90  1  0.686765  0.210118  0.664937  1
  P  P91  1  0.134829  0.984777  0.319638  1
  P  P92  1  0.467040  0.838991  0.348186  1
  P  P93  1  0.804405  0.145104  0.296040  1
  P  P94  1  0.964227  0.536131  0.368222  1
  P  P95  1  0.303636  0.851795  0.312177  1
  P  P96  1  0.635067  0.688031  0.340558  1
  P  P97  1  0.298827  0.114857  0.352927  1
  P  P98  1  0.637746  0.410099  0.300476  1
  P  P99  1  0.966095  0.278024  0.326429  1
  P  P100  1  0.132015  0.260002  0.359832  1
  P  P101  1  0.469287  0.574909  0.308908  1
  P  P102  1  0.801363  0.407990  0.337960  1
  P  P103  1  0.134613  0.579531  0.332589  1
  P  P104  1  0.469165  0.894338  0.281638  1
  P  P105  1  0.805172  0.716822  0.303975  1
  P  P106  1  0.303321  0.265882  0.291160  1
  P  P107  1  0.635535  0.089559  0.321763  1
  P  P108  1  0.965253  0.948312  0.347802  1
  P  P109  1  0.018879  0.693578  0.354119  1
  P  P110  1  0.360018  0.032547  0.295530  1
  P  P111  1  0.689386  0.854276  0.324822  1
  P  P112  1  0.188197  0.761638  0.340977  1
  P  P113  1  0.525974  0.057313  0.286855  1
  P  P114  1  0.857639  0.909710  0.312181  1
  P  P115  1  0.082626  0.527858  0.291138  1
  P  P116  1  0.413459  0.393021  0.317350  1
  P  P117  1  0.747041  0.234757  0.345469  1
  P  P118  1  0.248038  0.327305  0.331423  1
  P  P119  1  0.578669  0.173299  0.358138  1
  P  P120  1  0.912228  0.495236  0.301273  1
  P  P121  1  0.078428  0.207675  0.314132  1
  P  P122  1  0.411352  0.047283  0.343648  1
  P  P123  1  0.753836  0.385599  0.285290  1
  P  P124  1  0.246562  0.675435  0.302274  1
  P  P125  1  0.578212  0.527318  0.331928  1
  P  P126  1  0.907481  0.372547  0.361702  1
  P  P127  1  0.023234  0.046624  0.326599  1
  P  P128  1  0.356579  0.898565  0.355328  1
  P  P129  1  0.697955  0.208362  0.299832  1
  P  P130  1  0.193876  0.908579  0.281369  1
  P  P131  1  0.525918  0.736293  0.310456  1
  P  P132  1  0.856412  0.573047  0.341945  1
  P  P133  1  0.022652  0.437512  0.311271  1
  P  P134  1  0.353204  0.290500  0.339139  1
  P  P135  1  0.693784  0.574879  0.286150  1
  P  P136  1  0.192553  0.488665  0.298892  1
  P  P137  1  0.522775  0.345286  0.326807  1
  P  P138  1  0.852589  0.178320  0.355557  1
  P  P139  1  0.079048  0.811039  0.331727  1
  P  P140  1  0.411461  0.658035  0.360524  1
  P  P141  1  0.750698  0.958439  0.305266  1
  P  P142  1  0.250550  0.070998  0.289329  1
  P  P143  1  0.581780  0.910526  0.316685  1
  P  P144  1  0.912997  0.763157  0.345149  1
  P  P145  1  0.193713  0.169802  0.326606  1
  P  P146  1  0.523355  1.013989  0.353167  1
  P  P147  1  0.855443  0.336574  0.298052  1
  P  P148  1  0.028262  0.765789  0.287532  1
  P  P149  1  0.359449  0.621989  0.313696  1
  P  P150  1  0.692070  0.456787  0.344802  1
  P  P151  1  0.241978  0.936395  0.346745  1
  P  P152  1  0.580334  0.244427  0.291741  1
  P  P153  1  0.909579  0.110074  0.317743  1
  P  P154  1  0.074463  0.484752  0.356750  1
  P  P155  1  0.412174  0.790244  0.302064  1
  P  P156  1  0.744112  0.640018  0.330453  1
  P  P157  1  0.138488  0.298143  0.290516  1
  P  P158  1  0.468460  0.167676  0.319960  1
  P  P159  1  0.799392  0.990261  0.350214  1
  P  P160  1  0.968034  0.672244  0.306671  1
  P  P161  1  0.300634  0.529173  0.335070  1
  P  P162  1  0.631867  0.362927  0.364860  1
  P  P163  1  0.127599  0.528254  0.400949  1
  P  P164  1  0.458679  0.374906  0.430962  1
  P  P165  1  0.797680  0.683786  0.375426  1
  P  P166  1  0.957089  0.068261  0.451950  1
  P  P167  1  0.295498  0.379140  0.395016  1
  P  P168  1  0.626021  0.222208  0.424616  1
  P  P169  1  0.291712  0.646873  0.437037  1
  P  P170  1  0.629809  0.955527  0.382471  1
  P  P171  1  0.960274  0.801846  0.409174  1
  P  P172  1  0.124252  0.795293  0.443887  1
  P  P173  1  0.462605  0.109494  0.387976  1
  P  P174  1  0.792460  0.950081  0.417358  1
  P  P175  1  0.126403  0.118119  0.419570  1
  P  P176  1  0.464748  0.425249  0.364426  1
  P  P177  1  0.795408  0.261040  0.394038  1
  P  P178  1  0.297087  0.793127  0.377637  1
  P  P179  1  0.627198  0.634393  0.406287  1
  P  P180  1  0.958004  0.479439  0.433880  1
  P  P181  1  0.011324  0.240640  0.436859  1
  P  P182  1  0.350259  0.552275  0.380348  1
  P  P183  1  0.680360  0.395700  0.410313  1
  P  P184  1  0.179452  0.298986  0.425217  1
  P  P185  1  0.518347  0.607627  0.369851  1
  P  P186  1  0.848248  0.445681  0.399684  1
  P  P187  1  0.076004  0.079994  0.373912  1
  P  P188  1  0.407411  0.926985  0.403460  1
  P  P189  1  0.737818  0.769311  0.432337  1
  P  P190  1  0.240673  0.869298  0.413819  1
  P  P191  1  0.571328  0.713420  0.442464  1
  P  P192  1  0.909418  0.023803  0.385747  1
  P  P193  1  0.069899  0.752123  0.398396  1
  P  P194  1  0.401599  0.599779  0.426694  1
  P  P195  1  0.739603  0.898563  0.372084  1
  P  P196  1  0.238091  0.214940  0.389323  1
  P  P197  1  0.569164  0.061668  0.417494  1
  P  P198  1  0.900241  0.906484  0.445041  1
  P  P199  1  0.017315  0.584316  0.413639  1
  P  P200  1  0.348946  0.432465  0.440226  1
  P  P201  1  0.686853  0.738552  0.385440  1
  P  P202  1  0.188857  0.433542  0.366131  1
  P  P203  1  0.519936  0.278207  0.394248  1
  P  P204  1  0.850563  0.118841  0.423321  1
  P  P205  1  0.015294  0.977491  0.393983  1
  P  P206  1  0.346881  0.824989  0.422255  1
  P  P207  1  0.685058  0.132812  0.368041  1
  P  P208  1  0.183292  0.026667  0.383754  1
  P  P209  1  0.514253  0.876440  0.412040  1
  P  P210  1  0.844895  0.721485  0.440334  1
  P  P211  1  0.072667  0.348418  0.416477  1
  P  P212  1  0.403971  0.196111  0.444902  1
  P  P213  1  0.742429  0.500012  0.389822  1
  P  P214  1  0.244002  0.608431  0.371677  1
  P  P215  1  0.574461  0.450349  0.399638  1
  P  P216  1  0.905267  0.293854  0.428084  1
  P  P217  1  0.185208  0.702316  0.408387  1
  P  P218  1  0.516413  0.547985  0.437686  1
  P  P219  1  0.854270  0.856466  0.381530  1
  P  P220  1  0.021922  0.307300  0.370506  1
  P  P221  1  0.353318  0.153202  0.398787  1
  P  P222  1  0.683988  0.997397  0.427800  1
  P  P223  1  0.233793  0.476929  0.430677  1
  P  P224  1  0.572318  0.785056  0.375338  1
  P  P225  1  0.902380  0.627958  0.403829  1
  P  P226  1  0.066341  0.024351  0.441138  1
  P  P227  1  0.404811  0.333185  0.385334  1
  P  P228  1  0.735288  0.176574  0.413293  1
  P  P229  1  0.129302  0.846468  0.377320  1
  P  P230  1  0.460818  0.696468  0.406671  1
  P  P231  1  0.791366  0.540384  0.435122  1
  P  P232  1  0.962368  0.211346  0.391747  1
  P  P233  1  0.293600  0.059611  0.419245  1
  P  P234  1  0.624255  0.902055  0.448429  1
  P  P235  1  0.120238  0.065448  0.486045  1
  P  P236  1  0.451035  0.912619  0.515035  1
  P  P237  1  0.789173  0.218262  0.460505  1
  P  P238  1  0.949514  0.606685  0.535405  1
  P  P239  1  0.288030  0.915252  0.478960  1
  P  P240  1  0.618857  0.759236  0.508522  1
  P  P241  1  0.284433  0.184911  0.520397  1
  P  P242  1  0.622459  0.490773  0.466473  1
  P  P243  1  0.953486  0.336621  0.494058  1
  P  P244  1  0.117630  0.333291  0.528393  1
  P  P245  1  0.455654  0.643086  0.473143  1
  P  P246  1  0.786679  0.487470  0.501949  1
  P  P247  1  0.119261  0.656774  0.504151  1
  P  P248  1  0.457749  0.967197  0.448529  1
  P  P249  1  0.788322  0.809603  0.477344  1
  P  P250  1  0.289203  0.328344  0.460963  1
  P  P251  1  0.620004  0.171183  0.490467  1
  P  P252  1  0.951223  0.017439  0.517980  1
  P  P253  1  0.004077  0.778383  0.522205  1
  P  P254  1  0.342387  0.089457  0.464589  1
  P  P255  1  0.673231  0.931991  0.493862  1
  P  P256  1  0.172395  0.836761  0.509557  1
  P  P257  1  0.510823  0.145655  0.454217  1
  P  P258  1  0.841501  0.989151  0.482626  1
  P  P259  1  0.068753  0.617427  0.459048  1
  P  P260  1  0.400198  0.464905  0.486866  1
  P  P261  1  0.731181  0.307723  0.515725  1
  P  P262  1  0.233284  0.407493  0.497411  1
  P  P263  1  0.564275  0.249855  0.527868  1
  P  P264  1  0.902465  0.560032  0.470391  1
  P  P265  1  0.063324  0.289392  0.482854  1
  P  P266  1  0.394337  0.138232  0.510602  1
  P  P267  1  0.732291  0.441608  0.455763  1
  P  P268  1  0.231037  0.753791  0.472539  1
  P  P269  1  0.562084  0.598202  0.501616  1
  P  P270  1  0.892914  0.443232  0.529014  1
  P  P271  1  0.010650  0.122558  0.496684  1
  P  P272  1  0.341690  0.970424  0.524063  1
  P  P273  1  0.679603  0.274989  0.469572  1
  P  P274  1  0.181261  0.967159  0.450293  1
  P  P275  1  0.512396  0.813859  0.479031  1
  P  P276  1  0.843513  0.659709  0.507142  1
  P  P277  1  0.008379  0.515327  0.478870  1
  P  P278  1  0.339319  0.362942  0.506414  1
  P  P279  1  0.677272  0.668214  0.451572  1
  P  P280  1  0.176071  0.568106  0.467456  1
  P  P281  1  0.507290  0.412279  0.496685  1
  P  P282  1  0.838121  0.255397  0.524466  1
  P  P283  1  0.065584  0.885166  0.500863  1
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