# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.43489544
_cell_length_b   19.09805411
_cell_length_c   55.61534672
_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   'Fe72 P288'
_cell_volume   17456.2403829
_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  0.578877  0.157623  0.259799  1
  Fe  Fe2  1  0.576588  0.863643  0.294282  1
  Fe  Fe3  1  0.580646  0.574054  0.330182  1
  Fe  Fe4  1  0.076882  0.967438  0.286478  1
  Fe  Fe5  1  0.082330  0.674171  0.322079  1
  Fe  Fe6  1  0.079670  0.383241  0.359046  1
  Fe  Fe7  1  0.892563  1.029069  0.339862  1
  Fe  Fe8  1  0.889129  0.601915  0.272812  1
  Fe  Fe9  1  0.893743  0.318237  0.302597  1
  Fe  Fe10  1  0.392661  0.219161  0.311633  1
  Fe  Fe11  1  0.414178  0.794671  0.246352  1
  Fe  Fe12  1  0.400623  0.509422  0.275179  1
  Fe  Fe13  1  0.722426  0.877904  0.268940  1
  Fe  Fe14  1  0.737224  0.590261  0.298727  1
  Fe  Fe15  1  0.743307  0.301546  0.333558  1
  Fe  Fe16  1  0.236283  0.945760  0.316670  1
  Fe  Fe17  1  0.236370  0.655768  0.353509  1
  Fe  Fe18  1  0.241925  0.236769  0.280739  1
  Fe  Fe19  1  0.572597  0.282467  0.369384  1
  Fe  Fe20  1  0.572473  0.991991  0.406282  1
  Fe  Fe21  1  0.572609  0.701447  0.443796  1
  Fe  Fe22  1  0.078282  0.092620  0.396503  1
  Fe  Fe23  1  0.078428  0.802051  0.434025  1
  Fe  Fe24  1  0.077610  0.511513  0.471552  1
  Fe  Fe25  1  0.891048  0.156814  0.452585  1
  Fe  Fe26  1  0.893086  0.737082  0.377352  1
  Fe  Fe27  1  0.892356  0.447036  0.415164  1
  Fe  Fe28  1  0.390716  0.346568  0.423929  1
  Fe  Fe29  1  0.391793  0.927631  0.348327  1
  Fe  Fe30  1  0.392217  0.637557  0.386145  1
  Fe  Fe31  1  0.740758  1.010493  0.371276  1
  Fe  Fe32  1  0.740949  0.720310  0.408713  1
  Fe  Fe33  1  0.734460  0.428888  0.447545  1
  Fe  Fe34  1  0.234326  0.074221  0.428997  1
  Fe  Fe35  1  0.234067  0.783639  0.466505  1
  Fe  Fe36  1  0.235169  0.365036  0.391476  1
  Fe  Fe37  1  0.577342  0.410878  0.480023  1
  Fe  Fe38  1  0.576729  0.119842  0.517477  1
  Fe  Fe39  1  0.571152  0.830242  0.556378  1
  Fe  Fe40  1  0.076854  0.220510  0.508942  1
  Fe  Fe41  1  0.076225  0.929536  0.546728  1
  Fe  Fe42  1  0.076021  0.639399  0.584157  1
  Fe  Fe43  1  0.890526  0.284480  0.564998  1
  Fe  Fe44  1  0.891037  0.866252  0.490004  1
  Fe  Fe45  1  0.891062  0.575001  0.527722  1
  Fe  Fe46  1  0.390279  0.474405  0.536425  1
  Fe  Fe47  1  0.390071  0.055718  0.461405  1
  Fe  Fe48  1  0.390112  0.765291  0.499016  1
  Fe  Fe49  1  0.733857  0.138311  0.484976  1
  Fe  Fe50  1  0.739644  0.848657  0.521189  1
  Fe  Fe51  1  0.734317  0.557058  0.559921  1
  Fe  Fe52  1  0.234065  0.202314  0.541516  1
  Fe  Fe53  1  0.233272  0.911248  0.579590  1
  Fe  Fe54  1  0.234372  0.493075  0.504115  1
  Fe  Fe55  1  0.578396  0.537978  0.592182  1
  Fe  Fe56  1  0.577665  0.249886  0.629679  1
  Fe  Fe57  1  0.581349  0.965339  0.659952  1
  Fe  Fe58  1  0.076877  0.347865  0.621186  1
  Fe  Fe59  1  0.072708  0.058334  0.657915  1
  Fe  Fe60  1  0.054344  0.770377  0.686459  1
  Fe  Fe61  1  0.891555  0.409073  0.673087  1
  Fe  Fe62  1  0.888987  0.992743  0.602859  1
  Fe  Fe63  1  0.892018  0.703606  0.638597  1
  Fe  Fe64  1  0.417026  0.603722  0.647397  1
  Fe  Fe65  1  0.389869  0.184461  0.573914  1
  Fe  Fe66  1  0.386974  0.892788  0.610965  1
  Fe  Fe67  1  0.732524  0.266387  0.597762  1
  Fe  Fe68  1  0.732588  0.976704  0.633927  1
  Fe  Fe69  1  0.743769  0.688119  0.663650  1
  Fe  Fe70  1  0.227930  0.330886  0.652336  1
  Fe  Fe71  1  0.219386  1.046750  0.682342  1
  Fe  Fe72  1  0.225664  0.622920  0.615141  1
  P  P73  1  0.485342  0.064749  0.268150  1
  P  P74  1  0.487946  0.770587  0.306917  1
  P  P75  1  0.485150  0.350467  0.234739  1
  P  P76  1  -0.013326  0.061507  0.271989  1
  P  P77  1  -0.012784  0.765647  0.307701  1
  P  P78  1  -0.014185  0.475910  0.346140  1
  P  P79  1  -0.012557  0.121789  0.327480  1
  P  P80  1  -0.012772  0.829371  0.364599  1
  P  P81  1  -0.013296  0.412981  0.289691  1
  P  P82  1  0.486826  0.126158  0.324905  1
  P  P83  1  0.485960  0.698746  0.249769  1
  P  P84  1  0.487080  0.415816  0.288510  1
  P  P85  1  0.489909  0.884759  0.257958  1
  P  P86  1  0.490154  0.591644  0.296296  1
  P  P87  1  0.487473  0.299677  0.334146  1
  P  P88  1  -0.011344  0.946724  0.318663  1
  P  P89  1  -0.010976  0.656026  0.355117  1
  P  P90  1  -0.013425  0.239556  0.280137  1
  P  P91  1  0.152575  0.158438  0.257871  1
  P  P92  1  0.150621  0.863341  0.294269  1
  P  P93  1  0.152393  0.570510  0.332814  1
  P  P94  1  0.650422  0.969302  0.280740  1
  P  P95  1  0.653436  0.676601  0.318007  1
  P  P96  1  0.650745  0.253230  0.243537  1
  P  P97  1  0.320713  1.030161  0.337323  1
  P  P98  1  0.319460  0.605947  0.261597  1
  P  P99  1  0.321388  0.323138  0.299984  1
  P  P100  1  0.823533  0.215500  0.313736  1
  P  P101  1  0.821564  0.925076  0.351155  1
  P  P102  1  0.819586  0.503851  0.274771  1
  P  P103  1  0.319016  0.136062  0.291111  1
  P  P104  1  0.318359  0.845375  0.327209  1
  P  P105  1  0.317168  0.430231  0.253101  1
  P  P106  1  0.818174  0.111763  0.360669  1
  P  P107  1  0.818408  0.693639  0.284199  1
  P  P108  1  0.820029  0.403388  0.323044  1
  P  P109  1  0.155448  1.047895  0.304223  1
  P  P110  1  0.155138  0.757467  0.341921  1
  P  P111  1  0.153453  0.332297  0.266706  1
  P  P112  1  0.652101  0.083116  0.234669  1
  P  P113  1  0.649056  0.780268  0.269624  1
  P  P114  1  0.655389  0.490379  0.309156  1
  P  P115  1  0.153569  0.223449  0.313880  1
  P  P116  1  0.153776  0.932839  0.351001  1
  P  P117  1  0.155184  0.510242  0.277290  1
  P  P118  1  0.653722  1.022651  0.337938  1
  P  P119  1  0.657251  0.601993  0.263000  1
  P  P120  1  0.654681  0.314027  0.300475  1
  P  P121  1  0.315473  0.959123  0.280681  1
  P  P122  1  0.319739  0.668129  0.318707  1
  P  P123  1  0.319044  0.252236  0.244887  1
  P  P124  1  0.817688  0.159450  0.258869  1
  P  P125  1  0.820054  0.867320  0.295489  1
  P  P126  1  0.818366  0.577560  0.333053  1
  P  P127  1  0.655744  0.142232  0.292280  1
  P  P128  1  0.652163  0.850768  0.329174  1
  P  P129  1  0.651165  0.427887  0.254124  1
  P  P130  1  0.153037  0.104506  0.361316  1
  P  P131  1  0.152425  0.683907  0.286264  1
  P  P132  1  0.153682  0.395277  0.323500  1
  P  P133  1  0.819805  1.039375  0.304233  1
  P  P134  1  0.819878  0.748983  0.341730  1
  P  P135  1  0.818893  0.330340  0.267153  1
  P  P136  1  0.317163  0.082621  0.237186  1
  P  P137  1  0.315641  0.783596  0.272227  1
  P  P138  1  0.320013  0.497078  0.309545  1
  P  P139  1  0.482483  0.946089  0.314228  1
  P  P140  1  0.485787  0.522753  0.240732  1
  P  P141  1  0.483956  0.236692  0.277951  1
  P  P142  1  -0.012167  0.893762  0.262102  1
  P  P143  1  -0.012914  0.590141  0.299574  1
  P  P144  1  0.984572  0.301922  0.336548  1
  P  P145  1  0.483742  0.188651  0.381016  1
  P  P146  1  0.483199  0.898317  0.418289  1
  P  P147  1  0.486574  0.481063  0.343528  1
  P  P148  1  0.984453  0.185374  0.383644  1
  P  P149  1  0.984364  0.894545  0.420995  1
  P  P150  1  0.983589  0.603953  0.458574  1
  P  P151  1  -0.014730  0.249382  0.439890  1
  P  P152  1  -0.014913  0.958638  0.477256  1
  P  P153  1  -0.013382  0.539734  0.402386  1
  P  P154  1  0.485115  0.254297  0.436802  1
  P  P155  1  0.485814  0.836070  0.362125  1
  P  P156  1  0.486365  0.545422  0.399530  1
  P  P157  1  0.486797  1.008829  0.371075  1
  P  P158  1  0.486698  0.719046  0.408668  1
  P  P159  1  0.486356  0.428316  0.446170  1
  P  P160  1  -0.013375  0.075083  0.430413  1
  P  P161  1  -0.013341  0.784481  0.467848  1
  P  P162  1  -0.012336  0.365577  0.392943  1
  P  P163  1  0.150114  0.280636  0.370456  1
  P  P164  1  0.149454  0.989894  0.407877  1
  P  P165  1  0.149210  0.699243  0.445425  1
  P  P166  1  0.649908  0.092584  0.393327  1
  P  P167  1  0.649951  0.802086  0.430843  1
  P  P168  1  0.651347  0.382828  0.355932  1
  P  P169  1  0.319264  0.158584  0.450056  1
  P  P170  1  0.320953  0.739868  0.374561  1
  P  P171  1  0.320012  0.449625  0.412592  1
  P  P172  1  0.820125  0.344749  0.426489  1
  P  P173  1  0.819378  1.054350  0.463829  1
  P  P174  1  0.822340  0.634505  0.388898  1
  P  P175  1  0.316603  0.264076  0.403000  1
  P  P176  1  0.316006  0.973046  0.440347  1
  P  P177  1  0.318442  0.555162  0.365454  1
  P  P178  1  0.815965  0.239096  0.473546  1
  P  P179  1  0.818575  0.821139  0.398077  1
  P  P180  1  0.816812  0.529504  0.435981  1
  P  P181  1  0.152486  0.175124  0.417518  1
  P  P182  1  0.152276  0.884528  0.455071  1
  P  P183  1  0.153745  0.465934  0.379977  1
  P  P184  1  0.654258  0.202995  0.347152  1
  P  P185  1  0.653451  0.911565  0.384591  1
  P  P186  1  0.653249  0.621154  0.421588  1
  P  P187  1  0.152244  0.351889  0.426022  1
  P  P188  1  0.151591  0.061007  0.463489  1
  P  P189  1  0.153504  0.642661  0.388307  1
  P  P190  1  0.651502  0.151227  0.450398  1
  P  P191  1  0.653950  0.732795  0.375424  1
  P  P192  1  0.652377  0.442486  0.412949  1
  P  P193  1  0.316715  0.087112  0.394394  1
  P  P194  1  0.316652  0.796574  0.431880  1
  P  P195  1  0.317719  0.378442  0.356929  1
  P  P196  1  0.818381  0.287998  0.369426  1
  P  P197  1  0.817225  0.997471  0.406912  1
  P  P198  1  0.817210  0.706508  0.444312  1
  P  P199  1  0.652781  0.269743  0.402798  1
  P  P200  1  0.652036  0.978957  0.440122  1
  P  P201  1  0.653728  0.560358  0.365250  1
  P  P202  1  0.151808  0.233256  0.474029  1
  P  P203  1  0.153109  0.814331  0.398927  1
  P  P204  1  0.152548  0.524061  0.436602  1
  P  P205  1  0.816771  0.169292  0.417476  1
  P  P206  1  0.816895  0.878725  0.454759  1
  P  P207  1  0.817901  0.459075  0.380117  1
  P  P208  1  0.317889  0.206135  0.346763  1
  P  P209  1  0.317220  0.914914  0.383702  1
  P  P210  1  0.316882  0.624926  0.421279  1
  P  P211  1  0.481422  0.073971  0.427555  1
  P  P212  1  0.484847  0.654864  0.352514  1
  P  P213  1  0.482223  0.365283  0.390171  1
  P  P214  1  0.983184  1.010921  0.374239  1
  P  P215  1  0.983663  0.720196  0.411592  1
  P  P216  1  0.982510  0.429685  0.449262  1
  P  P217  1  0.483146  0.318128  0.492959  1
  P  P218  1  0.482933  1.027117  0.530527  1
  P  P219  1  0.482755  0.608260  0.455664  1
  P  P220  1  0.982940  0.313151  0.496080  1
  P  P221  1  0.983066  1.022529  0.533449  1
  P  P222  1  0.983837  0.731617  0.570632  1
  P  P223  1  0.984560  0.377282  0.552086  1
  P  P224  1  0.982655  0.085870  0.589369  1
  P  P225  1  -0.014611  0.667486  0.514684  1
  P  P226  1  0.484634  0.382069  0.549236  1
  P  P227  1  0.484739  0.963662  0.474219  1
  P  P228  1  0.485178  0.673467  0.511741  1
  P  P229  1  0.485809  0.137633  0.483628  1
  P  P230  1  0.485057  0.847627  0.521177  1
  P  P231  1  0.486257  0.556088  0.558274  1
  P  P232  1  -0.014380  0.202873  0.542850  1
  P  P233  1  -0.015293  0.912230  0.580518  1
  P  P234  1  -0.013658  0.493611  0.505474  1
  P  P235  1  0.148900  0.408812  0.482969  1
  P  P236  1  0.148588  0.118013  0.520360  1
  P  P237  1  0.148423  0.827638  0.558312  1
  P  P238  1  0.648300  0.222508  0.506028  1
  P  P239  1  0.648344  0.930239  0.543189  1
  P  P240  1  0.648819  0.513430  0.468400  1
  P  P241  1  0.319040  0.286841  0.562537  1
  P  P242  1  0.318930  0.867989  0.487592  1
  P  P243  1  0.319464  0.577499  0.525195  1
  P  P244  1  0.819211  0.472885  0.538993  1
  P  P245  1  0.818138  0.182161  0.576598  1
  P  P246  1  0.820455  0.762820  0.501049  1
  P  P247  1  0.316059  0.392167  0.515528  1
  P  P248  1  0.315655  0.101408  0.553077  1
  P  P249  1  0.315910  0.682774  0.477980  1
  P  P250  1  0.815511  0.366533  0.585686  1
  P  P251  1  0.816809  0.949823  0.510839  1
  P  P252  1  0.816184  0.657843  0.547835  1
  P  P253  1  0.151747  0.302890  0.529885  1
  P  P254  1  0.151040  1.011639  0.567265  1
  P  P255  1  0.152304  0.593799  0.492610  1
  P  P256  1  0.652123  0.328326  0.459004  1
  P  P257  1  0.651775  1.037524  0.496461  1
  P  P258  1  0.651838  0.750004  0.534073  1
  P  P259  1  0.151612  0.479785  0.538541  1
  P  P260  1  0.151106  0.188730  0.575828  1
  P  P261  1  0.151394  0.770447  0.501100  1
  P  P262  1  0.650924  0.279290  0.562992  1
  P  P263  1  0.651692  0.860890  0.487812  1
  P  P264  1  0.651702  0.570775  0.525251  1
  P  P265  1  0.316252  0.215477  0.506962  1
  P  P266  1  0.315300  0.924522  0.544705  1
  P  P267  1  0.316563  0.506196  0.469534  1
  P  P268  1  0.816611  0.415622  0.482067  1
  P  P269  1  0.816157  0.125428  0.519576  1
  P  P270  1  0.815312  0.835081  0.556994  1
  P  P271  1  0.651702  0.398341  0.514972  1
  P  P272  1  0.651242  0.107182  0.552342  1
  P  P273  1  0.652242  0.688941  0.477613  1
  P  P274  1  0.151276  0.360450  0.586060  1
  P  P275  1  0.151519  0.942309  0.511597  1
  P  P276  1  0.151611  0.652117  0.549038  1
  P  P277  1  0.815675  0.297176  0.530053  1
  P  P278  1  0.815851  1.006296  0.567494  1
  P  P279  1  0.816635  0.587342  0.492377  1
  P  P280  1  0.316391  0.334104  0.458943  1
  P  P281  1  0.316020  1.043176  0.496446  1
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