# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.07083862
_cell_length_b   24.67334594
_cell_length_c   53.64969173
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe90 P360'
_cell_volume   21273.2487765
_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  0.591105  0.266691  0.335207  1
  Fe  Fe2  1  0.588468  0.641883  0.305718  1
  Fe  Fe3  1  0.580401  0.019181  0.280606  1
  Fe  Fe4  1  0.089981  0.306551  0.313119  1
  Fe  Fe5  1  0.088966  0.679620  0.286239  1
  Fe  Fe6  1  0.088852  0.933272  0.341658  1
  Fe  Fe7  1  0.902395  0.179620  0.286239  1
  Fe  Fe8  1  0.902510  0.433272  0.341658  1
  Fe  Fe9  1  0.901380  0.806551  0.313119  1
  Fe  Fe10  1  0.402893  0.141883  0.305718  1
  Fe  Fe11  1  0.410961  0.519181  0.280606  1
  Fe  Fe12  1  0.400257  0.766691  0.335207  1
  Fe  Fe13  1  0.745246  0.221954  0.310139  1
  Fe  Fe14  1  0.742615  0.601151  0.283586  1
  Fe  Fe15  1  0.746147  0.848409  0.338691  1
  Fe  Fe16  1  0.248746  0.101151  0.283586  1
  Fe  Fe17  1  0.245214  0.348409  0.338691  1
  Fe  Fe18  1  0.246116  0.721954  0.310139  1
  Fe  Fe19  1  0.589344  0.143588  0.427959  1
  Fe  Fe20  1  0.589042  0.517451  0.396420  1
  Fe  Fe21  1  0.588948  0.891710  0.365693  1
  Fe  Fe22  1  0.089541  0.186095  0.404974  1
  Fe  Fe23  1  0.089128  0.559019  0.373979  1
  Fe  Fe24  1  0.089153  0.812250  0.435749  1
  Fe  Fe25  1  0.902233  0.059019  0.373979  1
  Fe  Fe26  1  0.902208  0.312250  0.435749  1
  Fe  Fe27  1  0.901820  0.686095  0.404974  1
  Fe  Fe28  1  0.402320  1.017451  0.396420  1
  Fe  Fe29  1  0.402413  0.391710  0.365693  1
  Fe  Fe30  1  0.402017  0.643588  0.427959  1
  Fe  Fe31  1  0.746148  0.101355  0.401025  1
  Fe  Fe32  1  0.744633  0.474994  0.369859  1
  Fe  Fe33  1  0.745694  0.728076  0.431753  1
  Fe  Fe34  1  0.246728  0.974994  0.369859  1
  Fe  Fe35  1  0.245668  0.228076  0.431753  1
  Fe  Fe36  1  0.245214  0.601355  0.401025  1
  Fe  Fe37  1  0.589178  0.022252  0.520317  1
  Fe  Fe38  1  0.589490  0.396498  0.489500  1
  Fe  Fe39  1  0.589596  0.770235  0.458678  1
  Fe  Fe40  1  0.089857  0.064163  0.497475  1
  Fe  Fe41  1  0.089153  0.438180  0.466639  1
  Fe  Fe42  1  0.089121  0.690796  0.528478  1
  Fe  Fe43  1  0.902208  0.938180  0.466639  1
  Fe  Fe44  1  0.902240  0.190796  0.528478  1
  Fe  Fe45  1  0.901504  0.564163  0.497475  1
  Fe  Fe46  1  0.401871  0.896498  0.489500  1
  Fe  Fe47  1  0.401765  0.270235  0.458678  1
  Fe  Fe48  1  0.402183  0.522252  0.520317  1
  Fe  Fe49  1  0.745674  0.980287  0.493532  1
  Fe  Fe50  1  0.745705  0.354320  0.462683  1
  Fe  Fe51  1  0.745541  0.606434  0.524391  1
  Fe  Fe52  1  0.245656  0.854320  0.462683  1
  Fe  Fe53  1  0.245821  0.106434  0.524391  1
  Fe  Fe54  1  0.245687  0.480287  0.493532  1
  Fe  Fe55  1  0.589108  0.901902  0.613103  1
  Fe  Fe56  1  0.589388  0.274992  0.582037  1
  Fe  Fe57  1  0.589056  0.648411  0.551668  1
  Fe  Fe58  1  0.089217  0.943583  0.590516  1
  Fe  Fe59  1  0.089275  0.316967  0.559173  1
  Fe  Fe60  1  0.089168  0.568755  0.621312  1
  Fe  Fe61  1  0.902086  0.816967  0.559173  1
  Fe  Fe62  1  0.902194  0.068755  0.621312  1
  Fe  Fe63  1  0.902145  0.443583  0.590516  1
  Fe  Fe64  1  0.401974  0.774992  0.582037  1
  Fe  Fe65  1  0.402305  0.148411  0.551668  1
  Fe  Fe66  1  0.402254  0.401902  0.613103  1
  Fe  Fe67  1  0.745626  0.859403  0.586065  1
  Fe  Fe68  1  0.746030  0.232910  0.555251  1
  Fe  Fe69  1  0.746221  0.485359  0.617167  1
  Fe  Fe70  1  0.245331  0.732910  0.555251  1
  Fe  Fe71  1  0.245141  0.985359  0.617167  1
  Fe  Fe72  1  0.245735  0.359403  0.586065  1
  Fe  Fe73  1  0.589732  0.782288  0.700748  1
  Fe  Fe74  1  0.594031  0.157201  0.672696  1
  Fe  Fe75  1  0.588867  0.524920  0.644935  1
  Fe  Fe76  1  0.088337  0.819639  0.680809  1
  Fe  Fe77  1  0.088997  0.195699  0.652701  1
  Fe  Fe78  1  0.080470  0.443331  0.706352  1
  Fe  Fe79  1  0.902364  0.695699  0.652701  1
  Fe  Fe80  1  0.910891  0.943331  0.706352  1
  Fe  Fe81  1  0.903024  0.319639  0.680809  1
  Fe  Fe82  1  0.397330  0.657201  0.672696  1
  Fe  Fe83  1  0.402494  0.024920  0.644935  1
  Fe  Fe84  1  0.401630  0.282288  0.700748  1
  Fe  Fe85  1  0.745716  0.738997  0.677067  1
  Fe  Fe86  1  0.745461  0.112106  0.648266  1
  Fe  Fe87  1  0.748121  0.359429  0.703287  1
  Fe  Fe88  1  0.245900  0.612106  0.648266  1
  Fe  Fe89  1  0.243240  0.859429  0.703287  1
  Fe  Fe90  1  0.245646  0.238997  0.677067  1
  P  P91  1  0.495412  0.353993  0.276272  1
  P  P92  1  0.488702  0.731948  0.250099  1
  P  P93  1  0.494627  0.973833  0.305551  1
  P  P94  1  0.993358  0.339663  0.281882  1
  P  P95  1  -0.003905  0.593402  0.341607  1
  P  P96  1  -0.004096  0.970100  0.309900  1
  P  P97  1  0.995267  0.093402  0.341607  1
  P  P98  1  0.995458  0.470100  0.309900  1
  P  P99  1  -0.001996  0.839663  0.281882  1
  P  P100  1  0.502659  0.231948  0.250099  1
  P  P101  1  0.496735  0.473833  0.305551  1
  P  P102  1  0.495950  0.853993  0.276272  1
  P  P103  1  0.495467  0.224210  0.306784  1
  P  P104  1  0.498436  0.599137  0.273611  1
  P  P105  1  0.494968  0.849458  0.336055  1
  P  P106  1  -0.002861  0.349494  0.342158  1
  P  P107  1  -0.003544  0.721823  0.312184  1
  P  P108  1  0.992359  0.104427  0.278443  1
  P  P109  1  0.164567  0.263457  0.342131  1
  P  P110  1  0.166504  0.634677  0.312588  1
  P  P111  1  0.163529  0.021881  0.277349  1
  P  P112  1  0.664145  0.305931  0.302732  1
  P  P113  1  0.666184  0.680532  0.273145  1
  P  P114  1  0.664033  0.932851  0.335119  1
  P  P115  1  0.325177  0.180532  0.273145  1
  P  P116  1  0.327328  0.432851  0.335119  1
  P  P117  1  0.327217  0.805931  0.302732  1
  P  P118  1  0.824857  0.134677  0.312588  1
  P  P119  1  0.827833  0.521881  0.277349  1
  P  P120  1  0.826794  0.763457  0.342131  1
  P  P121  1  0.334081  0.053190  0.307591  1
  P  P122  1  0.330793  0.440812  0.273140  1
  P  P123  1  0.330553  0.681262  0.339762  1
  P  P124  1  0.832325  0.256737  0.275901  1
  P  P125  1  0.828770  0.516201  0.338645  1
  P  P126  1  0.828542  0.890710  0.306250  1
  P  P127  1  0.162820  0.390710  0.306250  1
  P  P128  1  0.159036  0.756737  0.275901  1
  P  P129  1  0.162592  1.016201  0.338645  1
  P  P130  1  0.660808  0.181262  0.339762  1
  P  P131  1  0.657280  0.553190  0.307591  1
  P  P132  1  0.660568  0.940812  0.273140  1
  P  P133  1  0.161506  0.141236  0.309854  1
  P  P134  1  0.162621  0.519980  0.280542  1
  P  P135  1  0.162499  0.768302  0.339134  1
  P  P136  1  0.664639  0.177108  0.278075  1
  P  P137  1  0.662382  0.430733  0.338736  1
  P  P138  1  0.661912  0.807945  0.306475  1
  P  P139  1  0.329449  0.307945  0.306475  1
  P  P140  1  0.326723  0.677108  0.278075  1
  P  P141  1  0.328980  0.930733  0.338736  1
  P  P142  1  0.828863  0.268302  0.339134  1
  P  P143  1  0.829855  0.641236  0.309854  1
  P  P144  1  0.828741  0.019980  0.280542  1
  P  P145  1  0.661229  0.058816  0.308246  1
  P  P146  1  0.665953  0.434449  0.277468  1
  P  P147  1  0.662722  0.685680  0.337258  1
  P  P148  1  0.160843  0.261358  0.280297  1
  P  P149  1  0.163549  0.512566  0.341906  1
  P  P150  1  0.163872  0.890452  0.309341  1
  P  P151  1  0.827489  0.390452  0.309341  1
  P  P152  1  0.830518  0.761358  0.280297  1
  P  P153  1  0.827813  1.012566  0.341906  1
  P  P154  1  0.328640  0.185680  0.337258  1
  P  P155  1  0.330133  0.558816  0.308246  1
  P  P156  1  0.325408  0.934449  0.277468  1
  P  P157  1  0.492926  0.099137  0.273611  1
  P  P158  1  0.496394  0.349458  0.336055  1
  P  P159  1  0.495894  0.724210  0.306784  1
  P  P160  1  0.994906  0.221823  0.312184  1
  P  P161  1  -0.000997  0.604427  0.278443  1
  P  P162  1  0.994223  0.849494  0.342158  1
  P  P163  1  0.496975  0.229204  0.367459  1
  P  P164  1  0.496996  0.603226  0.336323  1
  P  P165  1  0.495416  0.855503  0.397340  1
  P  P166  1  -0.003871  0.222144  0.373240  1
  P  P167  1  0.995460  0.474475  0.435125  1
  P  P168  1  0.995418  0.848461  0.404267  1
  P  P169  1  -0.004099  0.974475  0.435125  1
  P  P170  1  -0.004056  0.348461  0.404267  1
  P  P171  1  0.995233  0.722144  0.373240  1
  P  P172  1  0.494365  0.103226  0.336323  1
  P  P173  1  0.495946  0.355503  0.397340  1
  P  P174  1  0.494386  0.729204  0.367459  1
  P  P175  1  0.496167  0.103015  0.397866  1
  P  P176  1  0.495320  0.477139  0.366337  1
  P  P177  1  0.495950  0.729113  0.428866  1
  P  P178  1  -0.003941  0.226650  0.434934  1
  P  P179  1  0.995580  0.600274  0.403869  1
  P  P180  1  -0.003313  0.974042  0.372605  1
  P  P181  1  0.164172  0.141672  0.434327  1
  P  P182  1  0.163081  0.515369  0.403742  1
  P  P183  1  0.163001  0.890022  0.372215  1
  P  P184  1  0.664893  0.187875  0.398827  1
  P  P185  1  0.664600  0.561631  0.367152  1
  P  P186  1  0.663524  0.814044  0.428877  1
  P  P187  1  0.326762  0.061631  0.367152  1
  P  P188  1  0.327837  0.314044  0.428877  1
  P  P189  1  0.326469  0.687875  0.398827  1
  P  P190  1  0.828281  1.015369  0.403742  1
  P  P191  1  0.828361  0.390022  0.372215  1
  P  P192  1  0.827189  0.641672  0.434327  1
  P  P193  1  0.330360  0.932828  0.400202  1
  P  P194  1  0.331179  0.307002  0.369070  1
  P  P195  1  0.329989  0.558944  0.431403  1
  P  P196  1  0.831641  0.144449  0.371120  1
  P  P197  1  0.830136  0.396663  0.432237  1
  P  P198  1  0.830044  0.770597  0.401467  1
  P  P199  1  0.161317  0.270597  0.401467  1
  P  P200  1  0.159721  0.644449  0.371120  1
  P  P201  1  0.161226  0.896663  0.432237  1
  P  P202  1  0.661372  0.058944  0.431403  1
  P  P203  1  0.661002  0.432828  0.400202  1
  P  P204  1  0.660182  0.807002  0.369070  1
  P  P205  1  0.162817  1.017462  0.400886  1
  P  P206  1  0.163415  0.391308  0.370001  1
  P  P207  1  0.162333  0.643878  0.432431  1
  P  P208  1  0.663278  0.059032  0.369963  1
  P  P209  1  0.662873  0.311766  0.431238  1
  P  P210  1  0.662852  0.685585  0.400452  1
  P  P211  1  0.328509  0.185585  0.400452  1
  P  P212  1  0.328083  0.559032  0.369963  1
  P  P213  1  0.328489  0.811766  0.431238  1
  P  P214  1  0.829028  0.143878  0.432431  1
  P  P215  1  0.828545  0.517462  0.400886  1
  P  P216  1  0.827947  0.891308  0.370001  1
  P  P217  1  0.663391  0.935659  0.397862  1
  P  P218  1  0.663720  0.309554  0.367297  1
  P  P219  1  0.662673  0.561477  0.429180  1
  P  P220  1  0.162304  0.141093  0.372361  1
  P  P221  1  0.162961  0.393933  0.434152  1
  P  P222  1  0.162276  0.768347  0.403171  1
  P  P223  1  0.829085  0.268347  0.403171  1
  P  P224  1  0.829058  0.641093  0.372361  1
  P  P225  1  0.828400  0.893933  0.434152  1
  P  P226  1  0.328688  0.061477  0.429180  1
  P  P227  1  0.327970  0.435659  0.397862  1
  P  P228  1  0.327641  0.809554  0.367297  1
  P  P229  1  0.496042  0.977139  0.366337  1
  P  P230  1  0.495412  0.229113  0.428866  1
  P  P231  1  0.495195  0.603015  0.397866  1
  P  P232  1  -0.004219  0.100274  0.403869  1
  P  P233  1  0.994674  0.474042  0.372605  1
  P  P234  1  0.995302  0.726650  0.434934  1
  P  P235  1  0.495996  0.107233  0.459434  1
  P  P236  1  0.495422  0.481172  0.427944  1
  P  P237  1  0.496075  0.733681  0.490195  1
  P  P238  1  -0.003605  0.100694  0.465980  1
  P  P239  1  -0.004188  0.353393  0.527842  1
  P  P240  1  -0.004182  0.727209  0.497013  1
  P  P241  1  0.995550  0.853393  0.527842  1
  P  P242  1  0.995543  0.227209  0.497013  1
  P  P243  1  0.994966  0.600694  0.465980  1
  P  P244  1  0.495939  0.981172  0.427944  1
  P  P245  1  0.495286  0.233681  0.490195  1
  P  P246  1  0.495366  0.607233  0.459434  1
  P  P247  1  0.496202  0.981687  0.490134  1
  P  P248  1  0.496108  0.355492  0.459356  1
  P  P249  1  0.495904  0.607861  0.521603  1
  P  P250  1  -0.003773  0.105282  0.527484  1
  P  P251  1  -0.003998  0.479093  0.496838  1
  P  P252  1  -0.003863  0.852910  0.465873  1
  P  P253  1  0.163975  0.020578  0.527240  1
  P  P254  1  0.163942  0.394300  0.496163  1
  P  P255  1  0.163939  0.768139  0.465254  1
  P  P256  1  0.664204  0.066501  0.491060  1
  P  P257  1  0.663640  0.440240  0.459872  1
  P  P258  1  0.663815  0.692465  0.521819  1
  P  P259  1  0.327721  0.940240  0.459872  1
  P  P260  1  0.327547  0.192465  0.521819  1
  P  P261  1  0.327158  0.566501  0.491060  1
  P  P262  1  0.827420  0.894300  0.496163  1
  P  P263  1  0.827423  0.268139  0.465254  1
  P  P264  1  0.827386  0.520578  0.527240  1
  P  P265  1  0.330384  0.811645  0.492862  1
  P  P266  1  0.330316  0.185241  0.462049  1
  P  P267  1  0.330580  0.437780  0.523679  1
  P  P268  1  0.830719  0.022884  0.463415  1
  P  P269  1  0.830470  0.275544  0.525003  1
  P  P270  1  0.830226  0.649149  0.494047  1
  P  P271  1  0.161136  0.149149  0.494047  1
  P  P272  1  0.160643  0.522884  0.463415  1
  P  P273  1  0.160892  0.775544  0.525003  1
  P  P274  1  0.660781  0.937780  0.523679  1
  P  P275  1  0.660977  0.311645  0.492862  1
  P  P276  1  0.661045  0.685241  0.462049  1
  P  P277  1  0.162852  0.896677  0.494013  1
  P  P278  1  0.162771  0.270355  0.463074  1
  P  P279  1  0.163003  0.522648  0.525094  1
  P  P280  1  0.662932  0.937975  0.461991  1
  P  P281  1  0.663037  0.190621  0.523772  1
  P  P282  1  0.662466  0.564150  0.493226  1
  P  P283  1  0.328896  0.064150  0.493226  1
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