# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   27.84007349
_cell_length_b   11.67651125
_cell_length_c   48.13331844
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.76766350
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe64 P256'
_cell_volume   15485.7025335
_cell_formula_units_Z   64
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  0.051369  0.182991  0.386424  1
  Fe  Fe2  1  0.570396  0.348426  0.333681  1
  Fe  Fe3  1  0.934012  0.722069  0.372890  1
  Fe  Fe4  1  0.449091  0.887293  0.319897  1
  Fe  Fe5  1  0.013412  0.122325  0.329790  1
  Fe  Fe6  1  0.493801  0.961375  0.386426  1
  Fe  Fe7  1  0.008453  0.624368  0.329258  1
  Fe  Fe8  1  0.486840  0.463461  0.385643  1
  Fe  Fe9  1  0.311251  0.269092  0.361107  1
  Fe  Fe10  1  0.838990  0.416587  0.308080  1
  Fe  Fe11  1  0.193676  0.802863  0.346543  1
  Fe  Fe12  1  0.707845  0.974766  0.304100  1
  Fe  Fe13  1  0.278118  0.209532  0.308084  1
  Fe  Fe14  1  0.749585  0.040055  0.356418  1
  Fe  Fe15  1  0.272118  0.711007  0.308699  1
  Fe  Fe16  1  0.745517  0.546443  0.357249  1
  Fe  Fe17  1  0.011677  0.856541  0.498381  1
  Fe  Fe18  1  0.531311  0.019737  0.443006  1
  Fe  Fe19  1  0.894054  0.396452  0.484658  1
  Fe  Fe20  1  0.413960  0.560055  0.429794  1
  Fe  Fe21  1  0.974407  0.797156  0.441594  1
  Fe  Fe22  1  0.454770  0.633311  0.497902  1
  Fe  Fe23  1  0.967245  0.299568  0.440739  1
  Fe  Fe24  1  0.447548  0.136144  0.497180  1
  Fe  Fe25  1  0.271267  0.938186  0.471246  1
  Fe  Fe26  1  0.790499  0.100936  0.414289  1
  Fe  Fe27  1  0.153838  0.478663  0.456980  1
  Fe  Fe28  1  0.673242  0.641731  0.400906  1
  Fe  Fe29  1  0.233406  0.881936  0.414313  1
  Fe  Fe30  1  0.714672  0.715076  0.469453  1
  Fe  Fe31  1  0.226612  0.382283  0.413278  1
  Fe  Fe32  1  0.707525  0.218403  0.468725  1
  Fe  Fe33  1  0.971447  0.531207  0.610432  1
  Fe  Fe34  1  0.492178  0.692486  0.554390  1
  Fe  Fe35  1  0.855085  0.070301  0.597031  1
  Fe  Fe36  1  0.374369  0.232568  0.541116  1
  Fe  Fe37  1  0.934580  0.470499  0.553265  1
  Fe  Fe38  1  0.414827  0.305319  0.609959  1
  Fe  Fe39  1  0.928041  0.972612  0.552588  1
  Fe  Fe40  1  0.408146  0.807553  0.608639  1
  Fe  Fe41  1  0.232531  0.610670  0.582814  1
  Fe  Fe42  1  0.752028  0.775370  0.526249  1
  Fe  Fe43  1  0.114937  0.150909  0.568572  1
  Fe  Fe44  1  0.634403  0.315211  0.512804  1
  Fe  Fe45  1  0.194749  0.552740  0.525509  1
  Fe  Fe46  1  0.675586  0.389786  0.580929  1
  Fe  Fe47  1  0.187777  0.053902  0.524673  1
  Fe  Fe48  1  0.668728  0.890944  0.580813  1
  Fe  Fe49  1  0.937619  0.209081  0.713105  1
  Fe  Fe50  1  0.449347  0.372028  0.667342  1
  Fe  Fe51  1  0.819398  0.745304  0.700057  1
  Fe  Fe52  1  0.336990  0.908781  0.654410  1
  Fe  Fe53  1  0.896480  0.141983  0.662642  1
  Fe  Fe54  1  0.376618  0.968624  0.706661  1
  Fe  Fe55  1  0.890527  0.643550  0.661826  1
  Fe  Fe56  1  0.379407  0.469367  0.707362  1
  Fe  Fe57  1  0.187391  0.289066  0.687803  1
  Fe  Fe58  1  0.712448  0.448979  0.637786  1
  Fe  Fe59  1  0.074837  0.826132  0.680439  1
  Fe  Fe60  1  0.596210  0.991183  0.626857  1
  Fe  Fe61  1  0.154084  0.223326  0.634913  1
  Fe  Fe62  1  0.625775  0.067631  0.682704  1
  Fe  Fe63  1  0.148196  0.729098  0.636470  1
  Fe  Fe64  1  0.628028  0.564681  0.686525  1
  P  P65  1  0.081519  0.181542  0.306391  1
  P  P66  1  0.559531  0.019509  0.361691  1
  P  P67  1  0.962295  0.722154  0.292624  1
  P  P68  1  0.442438  0.559702  0.348908  1
  P  P69  1  0.962522  0.219530  0.292794  1
  P  P70  1  0.440649  0.059443  0.349104  1
  P  P71  1  0.939077  0.554739  0.346588  1
  P  P72  1  0.458108  0.718714  0.291332  1
  P  P73  1  0.943224  0.056835  0.348280  1
  P  P74  1  0.458008  0.217426  0.294221  1
  P  P75  1  0.902985  0.993894  0.287283  1
  P  P76  1  0.382567  0.825387  0.341775  1
  P  P77  1  0.395453  0.489708  0.287960  1
  P  P78  1  0.882671  0.320609  0.341285  1
  P  P79  1  0.080524  0.681719  0.306655  1
  P  P80  1  0.560510  0.519598  0.362681  1
  P  P81  1  0.021832  0.452444  0.299213  1
  P  P82  1  0.500455  0.286707  0.355475  1
  P  P83  1  0.381731  0.330870  0.342090  1
  P  P84  1  0.901491  0.490099  0.284247  1
  P  P85  1  0.060553  0.519266  0.361864  1
  P  P86  1  0.576288  0.678262  0.307107  1
  P  P87  1  0.883222  0.829595  0.340663  1
  P  P88  1  0.398362  0.988738  0.285140  1
  P  P89  1  0.022086  0.952358  0.299184  1
  P  P90  1  0.501127  0.787523  0.355399  1
  P  P91  1  0.065553  0.011364  0.361049  1
  P  P92  1  0.579621  0.180680  0.304643  1
  P  P93  1  1.000813  0.296114  0.355131  1
  P  P94  1  0.517282  0.447099  0.300014  1
  P  P95  1  0.002795  0.794808  0.355711  1
  P  P96  1  0.517835  0.948349  0.299558  1
  P  P97  1  0.336723  0.260257  0.280225  1
  P  P98  1  0.818703  0.100039  0.333255  1
  P  P99  1  0.182656  0.479824  0.375968  1
  P  P100  1  0.700687  0.642159  0.319857  1
  P  P101  1  0.181511  0.979272  0.375960  1
  P  P102  1  0.698471  0.152356  0.320125  1
  P  P103  1  0.201154  0.642304  0.315628  1
  P  P104  1  0.678124  0.472476  0.373957  1
  P  P105  1  0.205164  0.150603  0.318112  1
  P  P106  1  0.681417  0.977328  0.376881  1
  P  P107  1  0.123927  0.745310  0.367576  1
  P  P108  1  0.639377  0.910155  0.312835  1
  P  P109  1  0.139884  0.414209  0.313727  1
  P  P110  1  0.619360  0.245724  0.368115  1
  P  P111  1  0.335704  0.756808  0.280690  1
  P  P112  1  0.821225  0.596024  0.333691  1
  P  P113  1  0.240951  0.206552  0.382991  1
  P  P114  1  0.761122  0.373740  0.325238  1
  P  P115  1  0.121380  0.249660  0.367642  1
  P  P116  1  0.637689  0.416701  0.311488  1
  P  P117  1  0.320999  0.598041  0.336681  1
  P  P118  1  0.845281  0.758189  0.280502  1
  P  P119  1  0.144267  0.911984  0.311721  1
  P  P120  1  0.622012  0.748622  0.367972  1
  P  P121  1  0.241210  0.706646  0.383652  1
  P  P122  1  0.763703  0.862764  0.327248  1
  P  P123  1  0.325893  0.091858  0.335650  1
  P  P124  1  0.841988  0.262429  0.277429  1
  P  P125  1  0.259993  0.384370  0.328055  1
  P  P126  1  0.739813  0.213780  0.382613  1
  P  P127  1  0.261425  0.885066  0.328437  1
  P  P128  1  0.741835  0.713894  0.383404  1
  P  P129  1  0.040684  0.856270  0.417934  1
  P  P130  1  0.521301  0.692611  0.474460  1
  P  P131  1  0.921947  0.396121  0.404302  1
  P  P132  1  0.401981  0.233203  0.461091  1
  P  P133  1  0.921190  0.894729  0.404315  1
  P  P134  1  0.401705  0.732802  0.460830  1
  P  P135  1  0.898749  0.228193  0.458184  1
  P  P136  1  0.418605  0.392903  0.403708  1
  P  P137  1  0.903349  0.732292  0.458969  1
  P  P138  1  0.422869  0.896824  0.403922  1
  P  P139  1  0.862846  0.664896  0.396066  1
  P  P140  1  0.343604  0.502109  0.453448  1
  P  P141  1  0.359746  0.166523  0.397504  1
  P  P142  1  0.839830  0.002676  0.451840  1
  P  P143  1  0.041237  0.355020  0.417986  1
  P  P144  1  0.521455  0.191975  0.474425  1
  P  P145  1  0.981422  0.124557  0.409757  1
  P  P146  1  0.461743  0.960834  0.466250  1
  P  P147  1  0.340953  0.003805  0.452749  1
  P  P148  1  0.860045  0.165220  0.395896  1
  P  P149  1  0.020540  0.192859  0.472499  1
  P  P150  1  0.540557  0.356817  0.417254  1
  P  P151  1  0.842619  0.503411  0.451902  1
  P  P152  1  0.362573  0.667532  0.397550  1
  P  P153  1  0.981925  0.623957  0.410045  1
  P  P154  1  0.462622  0.460429  0.466526  1
  P  P155  1  0.025238  0.685628  0.473020  1
  P  P156  1  0.545301  0.849227  0.417471  1
  P  P157  1  0.960108  0.970042  0.467059  1
  P  P158  1  0.479771  0.133654  0.412050  1
  P  P159  1  0.962746  0.469085  0.467433  1
  P  P160  1  0.482455  0.632992  0.412466  1
  P  P161  1  0.300314  0.936733  0.391004  1
  P  P162  1  0.780811  0.774510  0.445822  1
  P  P163  1  0.142299  0.151378  0.488121  1
  P  P164  1  0.662258  0.314399  0.432075  1
  P  P165  1  0.141733  0.651529  0.488118  1
  P  P166  1  0.661551  0.813647  0.432302  1
  P  P167  1  0.158395  0.311281  0.430346  1
  P  P168  1  0.639158  0.147158  0.486366  1
  P  P169  1  0.162708  0.816184  0.431103  1
  P  P170  1  0.643839  0.651369  0.487024  1
  P  P171  1  0.083672  0.420187  0.480166  1
  P  P172  1  0.603729  0.583257  0.424477  1
  P  P173  1  0.100028  0.085322  0.423773  1
  P  P174  1  0.580340  0.921425  0.480175  1
  P  P175  1  0.300954  0.437638  0.391654  1
  P  P176  1  0.781339  0.273429  0.445699  1
  P  P177  1  0.201556  0.878949  0.493961  1
  P  P178  1  0.721458  0.043086  0.437918  1
  P  P179  1  0.081071  0.922833  0.479736  1
  P  P180  1  0.600323  0.086441  0.424321  1
  P  P181  1  0.280153  0.274968  0.445509  1
  P  P182  1  0.800088  0.437062  0.388404  1
  P  P183  1  0.102822  0.586526  0.424178  1
  P  P184  1  0.583077  0.421985  0.480191  1
  P  P185  1  0.202312  0.379220  0.493980  1
  P  P186  1  0.722324  0.542240  0.437636  1
  P  P187  1  0.284737  0.767620  0.445971  1
  P  P188  1  0.803884  0.931810  0.388786  1
  P  P189  1  0.219925  0.052526  0.439776  1
  P  P190  1  0.700635  0.888718  0.495115  1
  P  P191  1  0.222305  0.551586  0.440281  1
  P  P192  1  0.703122  0.387868  0.495237  1
  P  P193  1  0.001434  0.529337  0.529839  1
  P  P194  1  0.482232  0.364075  0.586732  1
  P  P195  1  0.882349  0.069711  0.516033  1
  P  P196  1  0.362284  0.904693  0.572438  1
  P  P197  1  0.882069  0.569081  0.515749  1
  P  P198  1  0.362077  0.404359  0.572508  1
  P  P199  1  0.859627  0.902423  0.569932  1
  P  P200  1  0.379243  0.064303  0.514918  1
  P  P201  1  0.863935  0.406556  0.570831  1
  P  P202  1  0.383825  0.568812  0.515580  1
  P  P203  1  0.823950  0.338172  0.508147  1
  P  P204  1  0.304530  0.173572  0.564941  1
  P  P205  1  0.320150  0.838909  0.508523  1
  P  P206  1  0.800681  0.676042  0.563474  1
  P  P207  1  0.001685  0.028607  0.529610  1
  P  P208  1  0.482036  0.863850  0.585702  1
  P  P209  1  0.942003  0.797690  0.521490  1
  P  P210  1  0.422539  0.633357  0.577720  1
  P  P211  1  0.301894  0.675679  0.564562  1
  P  P212  1  0.821509  0.840630  0.507636  1
  P  P213  1  0.981271  0.866895  0.584481  1
  P  P214  1  0.500971  0.029336  0.528909  1
  P  P215  1  0.803316  0.176761  0.564025  1
  P  P216  1  0.322828  0.339676  0.508751  1
  P  P217  1  0.942628  0.297449  0.521510  1
  P  P218  1  0.422910  0.134007  0.578039  1
  P  P219  1  0.985740  0.359567  0.584414  1
  P  P220  1  0.505867  0.521125  0.529383  1
  P  P221  1  0.921383  0.643343  0.578669  1
  P  P222  1  0.440574  0.806314  0.523442  1
  P  P223  1  0.922851  0.142767  0.578909  1
  P  P224  1  0.443123  0.305706  0.524123  1
  P  P225  1  0.261234  0.610920  0.502656  1
  P  P226  1  0.741877  0.448007  0.557830  1
  P  P227  1  0.102725  0.825595  0.599998  1
  P  P228  1  0.622824  0.988343  0.544137  1
  P  P229  1  0.101791  0.324582  0.598903  1
  P  P230  1  0.622616  0.488560  0.543635  1
  P  P231  1  0.119307  0.983059  0.542030  1
  P  P232  1  0.599906  0.823078  0.598113  1
  P  P233  1  0.123883  0.488256  0.542733  1
  P  P234  1  0.604317  0.327365  0.598140  1
  P  P235  1  0.044522  0.092954  0.591572  1
  P  P236  1  0.564321  0.256212  0.536393  1
  P  P237  1  0.060403  0.758206  0.535807  1
  P  P238  1  0.540825  0.594845  0.591739  1
  P  P239  1  0.261744  0.110086  0.502422  1
  P  P240  1  0.742447  0.946895  0.557823  1
  P  P241  1  0.162337  0.553864  0.605162  1
  P  P242  1  0.682458  0.716833  0.549562  1
  P  P243  1  0.041862  0.595588  0.591620  1
  P  P244  1  0.561802  0.759036  0.535966  1
  P  P245  1  0.241184  0.947482  0.556851  1
  P  P246  1  0.760954  0.111535  0.500567  1
  P  P247  1  0.063147  0.258149  0.535586  1
  P  P248  1  0.543204  0.093505  0.592033  1
  P  P249  1  0.163355  0.051013  0.605304  1
  P  P250  1  0.683311  0.216423  0.549380  1
  P  P251  1  0.245620  0.440249  0.557230  1
  P  P252  1  0.765506  0.603899  0.500832  1
  P  P253  1  0.180885  0.725362  0.551344  1
  P  P254  1  0.661655  0.563619  0.606677  1
  P  P255  1  0.183151  0.223991  0.551195  1
  P  P256  1  0.663374  0.061993  0.606270  1
  P  P257  1  0.962442  0.202192  0.639863  1
  P  P258  1  0.445034  0.033494  0.697691  1
  P  P259  1  0.843809  0.741950  0.626319  1
  P  P260  1  0.322042  0.574529  0.683630  1
  P  P261  1  0.841840  0.243346  0.627850  1
  P  P262  1  0.318730  0.081322  0.684677  1
  P  P263  1  0.820492  0.572283  0.682242  1
  P  P264  1  0.339701  0.738559  0.627002  1
  P  P265  1  0.825873  0.080786  0.683203  1
  P  P266  1  0.342957  0.244162  0.628282  1
  P  P267  1  0.785191  0.010950  0.620586  1
  P  P268  1  0.265234  0.845674  0.676902  1
  P  P269  1  0.280124  0.511126  0.620811  1
  P  P270  1  0.758401  0.347833  0.676121  1
  P  P271  1  0.963063  0.702818  0.641534  1
  P  P272  1  0.447852  0.538617  0.699400  1
  P  P273  1  0.902634  0.468828  0.633390  1
  P  P274  1  0.382863  0.294814  0.690022  1
  P  P275  1  0.258642  0.350977  0.678257  1
  P  P276  1  0.782200  0.514320  0.620089  1
  P  P277  1  0.942036  0.541025  0.696351  1
  P  P278  1  0.461229  0.704002  0.641002  1
  P  P279  1  0.763036  0.852366  0.676202  1
  P  P280  1  0.283637  0.012060  0.620921  1
  P  P281  1  0.903415  0.969134  0.633612  1
  P  P282  1  0.384771  0.793288  0.689460  1
  P  P283  1  0.947709  0.031532  0.697190  1
  P  P284  1  0.464196  0.196723  0.641846  1
  P  P285  1  0.880066  0.317996  0.690293  1
  P  P286  1  0.401653  0.481143  0.634042  1
  P  P287  1  0.886433  0.816343  0.690879  1
  P  P288  1  0.403138  0.980111  0.634013  1
  P  P289  1  0.222167  0.283283  0.613080  1
  P  P290  1  0.701186  0.116907  0.668570  1
  P  P291  1  0.065675  0.502264  0.709113  1
  P  P292  1  0.581837  0.663806  0.654310  1
  P  P293  1  0.065072  0.998560  0.710875  1
  P  P294  1  0.578307  0.172305  0.652722  1
  P  P295  1  0.079361  0.660226  0.653646  1
  P  P296  1  0.566822  0.497472  0.711218  1
  P  P297  1  0.083232  0.161423  0.654132  1
  P  P298  1  0.566466  0.999010  0.708787  1
  P  P299  1  0.006047  0.764841  0.704394  1
  P  P300  1  0.523451  0.930138  0.647715  1
  P  P301  1  0.020176  0.432068  0.647601  1
  P  P302  1  0.502824  0.270209  0.703711  1
  P  P303  1  0.222581  0.782875  0.614167  1
  P  P304  1  0.703441  0.617261  0.670295  1
  P  P305  1  0.128657  0.236362  0.715630  1
  P  P306  1  0.642344  0.388385  0.660496  1
  P  P307  1  0.005957  0.272435  0.703482  1
  P  P308  1  0.520898  0.436560  0.648621  1
  P  P309  1  0.200350  0.621947  0.668690  1
  P  P310  1  0.722159  0.785229  0.612846  1
  P  P311  1  0.023504  0.933609  0.648128  1
  P  P312  1  0.505777  0.768961  0.703250  1
  P  P313  1  0.123593  0.730096  0.716473  1
  P  P314  1  0.643850  0.884068  0.661184  1
  P  P315  1  0.205047  0.112593  0.668523  1
  P  P316  1  0.725923  0.277158  0.612672  1
  P  P317  1  0.139255  0.403466  0.659897  1
  P  P318  1  0.624636  0.225523  0.715781  1
  P  P319  1  0.144378  0.898996  0.662979  1
  P  P320  1  0.624041  0.725935  0.717683  1
