# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64333756
_cell_length_b   49.07039281
_cell_length_c   53.76780436
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.09229677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   17505.2639233
_cell_formula_units_Z   72
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  0.794604  0.050591  0.300610  1
  Fe  Fe2  1  0.703301  0.712355  0.333602  1
  Fe  Fe3  1  0.613975  0.370658  0.367322  1
  Fe  Fe4  1  0.707399  0.198452  0.384324  1
  Fe  Fe5  1  0.857358  0.888670  0.315448  1
  Fe  Fe6  1  0.773155  0.541574  0.344611  1
  Fe  Fe7  1  0.311126  0.946966  0.319767  1
  Fe  Fe8  1  0.250990  0.600349  0.360474  1
  Fe  Fe9  1  0.411480  0.285781  0.296043  1
  Fe  Fe10  1  0.249250  0.119888  0.312688  1
  Fe  Fe11  1  0.175657  0.773810  0.347736  1
  Fe  Fe12  1  0.085592  0.427346  0.382620  1
  Fe  Fe13  1  0.047275  1.000328  0.313138  1
  Fe  Fe14  1  0.945267  0.660307  0.343952  1
  Fe  Fe15  1  0.915853  0.311530  0.383853  1
  Fe  Fe16  1  0.460566  0.155584  0.342279  1
  Fe  Fe17  1  0.392553  0.814465  0.382800  1
  Fe  Fe18  1  0.558188  0.501539  0.315311  1
  Fe  Fe19  1  0.529273  0.026995  0.403874  1
  Fe  Fe20  1  0.462955  0.682377  0.443203  1
  Fe  Fe21  1  0.387821  0.338541  0.480926  1
  Fe  Fe22  1  0.467494  0.165977  0.492715  1
  Fe  Fe23  1  0.607731  0.854261  0.417945  1
  Fe  Fe24  1  0.547113  0.509795  0.457653  1
  Fe  Fe25  1  0.086497  0.914354  0.434194  1
  Fe  Fe26  1  0.017473  0.570500  0.471018  1
  Fe  Fe27  1  0.160874  0.258509  0.396701  1
  Fe  Fe28  1  0.005509  0.083319  0.418094  1
  Fe  Fe29  1  0.935297  0.739012  0.457356  1
  Fe  Fe30  1  0.860413  0.394990  0.494356  1
  Fe  Fe31  1  0.840111  0.966836  0.422020  1
  Fe  Fe32  1  0.772784  0.622764  0.458604  1
  Fe  Fe33  1  0.693232  0.279322  0.495536  1
  Fe  Fe34  1  0.261964  0.127047  0.458348  1
  Fe  Fe35  1  0.190413  0.782843  0.496677  1
  Fe  Fe36  1  0.341921  0.470618  0.422141  1
  Fe  Fe37  1  0.317317  0.994409  0.517051  1
  Fe  Fe38  1  0.242848  0.650374  0.555022  1
  Fe  Fe39  1  0.167651  0.305782  0.591797  1
  Fe  Fe40  1  0.261148  0.133634  0.604240  1
  Fe  Fe41  1  0.399368  0.822064  0.531113  1
  Fe  Fe42  1  0.324903  0.477828  0.569729  1
  Fe  Fe43  1  0.871346  0.882591  0.545553  1
  Fe  Fe44  1  0.793328  0.537920  0.584119  1
  Fe  Fe45  1  0.941331  0.226473  0.507949  1
  Fe  Fe46  1  0.787775  0.050705  0.529788  1
  Fe  Fe47  1  0.720383  0.706772  0.568111  1
  Fe  Fe48  1  0.642386  0.362741  0.606677  1
  Fe  Fe49  1  0.622490  0.935393  0.532488  1
  Fe  Fe50  1  0.552297  0.590922  0.569983  1
  Fe  Fe51  1  0.481370  0.245650  0.607279  1
  Fe  Fe52  1  0.056066  0.094848  0.568780  1
  Fe  Fe53  1  0.985984  0.750614  0.609031  1
  Fe  Fe54  1  0.122552  0.438818  0.534036  1
  Fe  Fe55  1  0.108044  0.963491  0.628551  1
  Fe  Fe56  1  0.014342  0.621294  0.668892  1
  Fe  Fe57  1  0.936489  0.273560  0.692068  1
  Fe  Fe58  1  0.016499  0.098517  0.710648  1
  Fe  Fe59  1  0.196415  0.790563  0.642231  1
  Fe  Fe60  1  0.112125  0.442204  0.676219  1
  Fe  Fe61  1  0.666012  0.851489  0.656789  1
  Fe  Fe62  1  0.578726  0.511485  0.691861  1
  Fe  Fe63  1  0.730516  0.193538  0.619484  1
  Fe  Fe64  1  0.586774  0.021816  0.646209  1
  Fe  Fe65  1  0.492223  0.675486  0.672877  1
  Fe  Fe66  1  0.411577  0.331536  0.706374  1
  Fe  Fe67  1  0.418914  0.902945  0.645356  1
  Fe  Fe68  1  0.319762  0.559092  0.681894  1
  Fe  Fe69  1  0.219979  0.206183  0.704490  1
  Fe  Fe70  1  0.806607  0.061610  0.677484  1
  Fe  Fe71  1  0.729833  0.727884  0.709150  1
  Fe  Fe72  1  0.890853  0.405425  0.646394  1
  P  P73  1  0.516875  0.065979  0.376270  1
  P  P74  1  0.676996  0.753501  0.305802  1
  P  P75  1  0.599711  0.409818  0.340263  1
  P  P76  1  0.925936  0.251669  0.315541  1
  P  P77  1  0.845011  0.907414  0.352481  1
  P  P78  1  -0.000391  0.592388  0.280959  1
  P  P79  1  0.345249  0.906875  0.349547  1
  P  P80  1  0.498883  0.590830  0.280997  1
  P  P81  1  0.430005  0.248170  0.317382  1
  P  P82  1  0.016727  0.065114  0.376200  1
  P  P83  1  0.175938  0.754536  0.305626  1
  P  P84  1  0.099768  0.409542  0.340421  1
  P  P85  1  0.022193  0.081467  0.311002  1
  P  P86  1  0.935625  0.737909  0.356041  1
  P  P87  1  0.088681  0.426220  0.279282  1
  P  P88  1  0.585532  0.920576  0.297260  1
  P  P89  1  0.513756  0.576284  0.337068  1
  P  P90  1  0.437417  0.232145  0.374926  1
  P  P91  1  0.704771  0.190796  0.337375  1
  P  P92  1  0.624599  0.849188  0.372756  1
  P  P93  1  0.783660  0.533429  0.298979  1
  P  P94  1  0.780031  0.026775  0.334821  1
  P  P95  1  0.695838  0.682658  0.369223  1
  P  P96  1  0.857676  0.373710  0.296501  1
  P  P97  1  0.233890  0.121016  0.353854  1
  P  P98  1  0.400890  0.807194  0.280060  1
  P  P99  1  0.321847  0.466828  0.316787  1
  P  P100  1  0.308031  0.980901  0.286336  1
  P  P101  1  0.228655  0.632926  0.323322  1
  P  P102  1  0.166541  0.288147  0.359930  1
  P  P103  1  0.474016  0.150422  0.297289  1
  P  P104  1  0.409234  0.803542  0.338475  1
  P  P105  1  0.332149  0.458087  0.376724  1
  P  P106  1  0.049711  0.966604  0.342041  1
  P  P107  1  0.975283  0.624347  0.377757  1
  P  P108  1  0.141771  0.312564  0.301881  1
  P  P109  1  0.699241  0.207652  0.279718  1
  P  P110  1  0.628884  0.856770  0.312003  1
  P  P111  1  0.533062  0.512753  0.355299  1
  P  P112  1  0.809378  1.001720  0.388197  1
  P  P113  1  0.957513  0.692211  0.309393  1
  P  P114  1  0.893463  0.346569  0.349843  1
  P  P115  1  0.203648  0.190829  0.338026  1
  P  P116  1  0.125230  0.847611  0.374435  1
  P  P117  1  0.288669  0.532642  0.301039  1
  P  P118  1  0.287984  0.027395  0.330699  1
  P  P119  1  0.200098  0.681817  0.366248  1
  P  P120  1  0.363770  0.372573  0.296470  1
  P  P121  1  0.737155  0.123740  0.350470  1
  P  P122  1  0.904876  0.808079  0.282505  1
  P  P123  1  0.819375  0.467536  0.317122  1
  P  P124  1  0.810898  0.978482  0.288300  1
  P  P125  1  0.728881  0.633518  0.322721  1
  P  P126  1  0.664720  0.288883  0.361245  1
  P  P127  1  0.296923  1.002627  0.385867  1
  P  P128  1  0.453772  0.692184  0.312498  1
  P  P129  1  0.384401  0.345535  0.349469  1
  P  P130  1  0.194263  0.206943  0.280551  1
  P  P131  1  0.129031  0.856904  0.314102  1
  P  P132  1  0.043788  0.512324  0.352579  1
  P  P133  1  0.554501  0.968277  0.341207  1
  P  P134  1  0.485438  0.624160  0.378978  1
  P  P135  1  0.652178  0.313131  0.303829  1
  P  P136  1  0.975508  0.148361  0.300598  1
  P  P137  1  0.901612  0.802887  0.340906  1
  P  P138  1  0.824799  0.458193  0.376957  1
  P  P139  1  0.519811  0.083414  0.310730  1
  P  P140  1  0.433945  0.738762  0.356284  1
  P  P141  1  0.587404  0.427680  0.279519  1
  P  P142  1  0.935300  0.232930  0.373304  1
  P  P143  1  0.082815  0.920604  0.295912  1
  P  P144  1  0.011867  0.576238  0.336619  1
  P  P145  1  0.302068  0.033039  0.488287  1
  P  P146  1  0.446320  0.721439  0.415401  1
  P  P147  1  0.375542  0.377091  0.452107  1
  P  P148  1  0.698294  0.217665  0.425767  1
  P  P149  1  0.617952  0.873236  0.462141  1
  P  P150  1  0.773491  0.561459  0.388314  1
  P  P151  1  0.119331  0.874053  0.462826  1
  P  P152  1  0.271895  0.561688  0.389154  1
  P  P153  1  0.194263  0.217731  0.425057  1
  P  P154  1  0.800749  0.032510  0.488130  1
  P  P155  1  0.946657  0.720621  0.415227  1
  P  P156  1  0.874958  0.376664  0.452213  1
  P  P157  1  0.771941  0.049591  0.428644  1
  P  P158  1  0.703670  0.705190  0.467445  1
  P  P159  1  0.854712  0.393367  0.392442  1
  P  P160  1  0.355296  0.889009  0.410394  1
  P  P161  1  0.292944  0.544666  0.448994  1
  P  P162  1  0.214151  0.200857  0.484757  1
  P  P163  1  0.487758  0.160311  0.447314  1
  P  P164  1  0.419258  0.815753  0.486101  1
  P  P165  1  0.569191  0.503326  0.412994  1
  P  P166  1  0.550822  0.994113  0.441245  1
  P  P167  1  0.484280  0.649468  0.479125  1
  P  P168  1  0.633096  0.338155  0.404383  1
  P  P169  1  0.007785  0.091962  0.464329  1
  P  P170  1  0.157570  0.779832  0.392406  1
  P  P171  1  0.089542  0.435662  0.428631  1
  P  P172  1  0.093390  0.944188  0.398045  1
  P  P173  1  0.025225  0.600024  0.434020  1
  P  P174  1  0.948481  0.256209  0.471839  1
  P  P175  1  0.253938  0.114052  0.413479  1
  P  P176  1  0.180598  0.769958  0.451726  1
  P  P177  1  0.108802  0.425828  0.488935  1
  P  P178  1  0.822766  0.935122  0.454396  1
  P  P179  1  0.754788  0.590917  0.491794  1
  P  P180  1  0.898937  0.279546  0.416874  1
  P  P181  1  0.462054  0.167560  0.387621  1
  P  P182  1  0.373215  0.824918  0.427116  1
  P  P183  1  0.308558  0.480414  0.465714  1
  P  P184  1  0.591575  0.970955  0.498616  1
  P  P185  1  0.740612  0.658351  0.425023  1
  P  P186  1  0.661525  0.314995  0.461826  1
  P  P187  1  0.985124  0.158263  0.448479  1
  P  P188  1  0.918024  0.814127  0.486843  1
  P  P189  1  0.067891  0.501965  0.412811  1
  P  P190  1  0.056096  0.993864  0.442483  1
  P  P191  1  0.987368  0.649519  0.479513  1
  P  P192  1  0.135119  0.337890  0.405041  1
  P  P193  1  0.509336  0.092559  0.464443  1
  P  P194  1  0.656831  0.781228  0.391002  1
  P  P195  1  0.589641  0.436086  0.428861  1
  P  P196  1  0.588371  0.944944  0.398619  1
  P  P197  1  0.522011  0.600634  0.435897  1
  P  P198  1  0.445640  0.256961  0.472959  1
  P  P199  1  0.084865  0.970143  0.498571  1
  P  P200  1  0.232128  0.658781  0.423612  1
  P  P201  1  0.155484  0.314674  0.461798  1
  P  P202  1  0.968983  0.167766  0.388156  1
  P  P203  1  0.880587  0.825058  0.426322  1
  P  P204  1  0.818755  0.480421  0.464771  1
  P  P205  1  0.334132  0.935850  0.453502  1
  P  P206  1  0.263379  0.591840  0.490945  1
  P  P207  1  0.407602  0.280264  0.416217  1
  P  P208  1  0.747234  0.114177  0.411928  1
  P  P209  1  0.675552  0.769927  0.451177  1
  P  P210  1  0.602126  0.425934  0.488991  1
  P  P211  1  0.272023  0.050318  0.428624  1
  P  P212  1  0.203695  0.706148  0.467354  1
  P  P213  1  0.355582  0.394324  0.392266  1
  P  P214  1  0.715180  0.200514  0.484799  1
  P  P215  1  0.855988  0.888676  0.411103  1
  P  P216  1  0.793672  0.544433  0.448469  1
  P  P217  1  0.089620  1.001786  0.600066  1
  P  P218  1  0.231595  0.688938  0.526635  1
  P  P219  1  0.154385  0.345078  0.564152  1
  P  P220  1  0.476264  0.185366  0.536158  1
  P  P221  1  0.407596  0.841745  0.574284  1
  P  P222  1  0.553679  0.529059  0.500674  1
  P  P223  1  0.906500  0.842338  0.574452  1
  P  P224  1  0.051609  0.530134  0.500726  1
  P  P225  1  0.975895  0.186066  0.536637  1
  P  P226  1  0.588034  1.002207  0.601579  1
  P  P227  1  0.732121  0.688178  0.526582  1
  P  P228  1  0.653673  0.344619  0.564139  1
  P  P229  1  0.556950  0.017269  0.541160  1
  P  P230  1  0.487581  0.673230  0.578814  1
  P  P231  1  0.630448  0.361342  0.504717  1
  P  P232  1  0.147267  0.856979  0.522800  1
  P  P233  1  0.071909  0.512717  0.561320  1
  P  P234  1  0.004986  0.168598  0.596276  1
  P  P235  1  0.280910  0.127561  0.559262  1
  P  P236  1  0.214488  0.783500  0.598027  1
  P  P237  1  0.346647  0.471769  0.524403  1
  P  P238  1  0.335699  0.961888  0.553609  1
  P  P239  1  0.264225  0.617340  0.590817  1
  P  P240  1  0.408140  0.305740  0.516836  1
  P  P241  1  0.795951  0.060402  0.575463  1
  P  P242  1  0.937769  0.747700  0.503428  1
  P  P243  1  0.866294  0.403883  0.540651  1
  P  P244  1  0.879006  0.912020  0.509281  1
  P  P245  1  0.805396  0.567555  0.547268  1
  P  P246  1  0.737457  0.223605  0.583597  1
  P  P247  1  0.038693  0.081647  0.524080  1
  P  P248  1  0.971317  0.737590  0.563522  1
  P  P249  1  0.886536  0.393655  0.601176  1
  P  P250  1  0.607496  0.903375  0.565761  1
  P  P251  1  0.528995  0.559668  0.603513  1
  P  P252  1  0.678015  0.247000  0.528454  1
  P  P253  1  0.228512  0.136745  0.501259  1
  P  P254  1  0.159735  0.792811  0.539783  1
  P  P255  1  0.085289  0.448448  0.577165  1
  P  P256  1  0.382168  0.939411  0.610855  1
  P  P257  1  0.518509  0.626505  0.536439  1
  P  P258  1  0.445743  0.282109  0.573747  1
  P  P259  1  0.778304  0.126114  0.559876  1
  P  P260  1  0.713132  0.782117  0.598907  1
  P  P261  1  0.845135  0.470013  0.524927  1
  P  P262  1  0.836977  0.962049  0.553731  1
  P  P263  1  0.768096  0.617356  0.591528  1
  P  P264  1  0.909889  0.305823  0.516756  1
  P  P265  1  0.297271  0.060092  0.576674  1
  P  P266  1  0.438551  0.748350  0.503209  1
  P  P267  1  0.367785  0.404221  0.541217  1
  P  P268  1  0.376793  0.912790  0.510177  1
  P  P269  1  0.302354  0.568415  0.547803  1
  P  P270  1  0.233912  0.224110  0.584500  1
  P  P271  1  0.873247  0.939580  0.610074  1
  P  P272  1  0.011310  0.626227  0.536201  1
  P  P273  1  0.936476  0.282004  0.572878  1
  P  P274  1  0.738458  0.136697  0.500118  1
  P  P275  1  0.668984  0.792628  0.538902  1
  P  P276  1  0.594192  0.448260  0.577444  1
  P  P277  1  0.116315  0.904106  0.565593  1
  P  P278  1  0.037829  0.559631  0.604015  1
  P  P279  1  0.187314  0.247822  0.527786  1
  P  P280  1  0.531630  0.081804  0.524189  1
  P  P281  1  0.462681  0.737743  0.563145  1
  P  P282  1  0.381629  0.393606  0.601718  1
  P  P283  1  0.057669  0.018340  0.540535  1
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