# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   51.23508503
_cell_length_b   18.71343563
_cell_length_c   51.92160779
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.84207106
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe216 P864'
_cell_volume   46732.3226226
_cell_formula_units_Z   216
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  0.755220  0.462814  0.321172  1
  Fe  Fe2  1  0.088554  0.462814  0.321172  1
  Fe  Fe3  1  0.765626  0.780079  0.282793  1
  Fe  Fe4  1  0.421887  0.462814  0.321172  1
  Fe  Fe5  1  0.098959  0.780079  0.282793  1
  Fe  Fe6  1  0.752096  0.142866  0.364555  1
  Fe  Fe7  1  0.432293  0.780079  0.282793  1
  Fe  Fe8  1  0.085430  0.142866  0.364555  1
  Fe  Fe9  1  0.418763  0.142866  0.364555  1
  Fe  Fe10  1  0.924286  0.475298  0.308281  1
  Fe  Fe11  1  0.257620  0.475298  0.308281  1
  Fe  Fe12  1  0.930487  0.800233  0.269466  1
  Fe  Fe13  1  0.590953  0.475298  0.308281  1
  Fe  Fe14  1  0.263820  0.800233  0.269466  1
  Fe  Fe15  1  0.918617  0.157548  0.348175  1
  Fe  Fe16  1  0.597153  0.800233  0.269466  1
  Fe  Fe17  1  0.251950  0.157548  0.348175  1
  Fe  Fe18  1  0.585284  0.157548  0.348175  1
  Fe  Fe19  1  0.651037  0.756766  0.335639  1
  Fe  Fe20  1  0.984371  0.756766  0.335639  1
  Fe  Fe21  1  0.657290  0.078729  0.293146  1
  Fe  Fe22  1  0.317704  0.756766  0.335639  1
  Fe  Fe23  1  0.990623  0.078729  0.293146  1
  Fe  Fe24  1  0.663119  0.401141  0.259165  1
  Fe  Fe25  1  0.323957  0.078729  0.293146  1
  Fe  Fe26  1  0.996452  0.401141  0.259165  1
  Fe  Fe27  1  0.329786  0.401141  0.259165  1
  Fe  Fe28  1  0.826771  0.391260  0.272989  1
  Fe  Fe29  1  0.160104  0.391260  0.272989  1
  Fe  Fe30  1  0.813346  0.747281  0.352206  1
  Fe  Fe31  1  0.493437  0.391260  0.272989  1
  Fe  Fe32  1  0.146679  0.747281  0.352206  1
  Fe  Fe33  1  0.823237  0.056168  0.306158  1
  Fe  Fe34  1  0.480012  0.747281  0.352206  1
  Fe  Fe35  1  0.156571  0.056168  0.306158  1
  Fe  Fe36  1  0.489904  0.056168  0.306158  1
  Fe  Fe37  1  0.695498  0.787846  0.367932  1
  Fe  Fe38  1  0.028832  0.787846  0.367932  1
  Fe  Fe39  1  0.702088  0.108068  0.325460  1
  Fe  Fe40  1  0.362165  0.787846  0.367932  1
  Fe  Fe41  1  0.035421  0.108068  0.325460  1
  Fe  Fe42  1  0.708316  0.435275  0.289962  1
  Fe  Fe43  1  0.368755  0.108068  0.325460  1
  Fe  Fe44  1  0.041649  0.435275  0.289962  1
  Fe  Fe45  1  0.374983  0.435275  0.289962  1
  Fe  Fe46  1  0.872373  0.601211  0.327150  1
  Fe  Fe47  1  0.205706  0.601211  0.327150  1
  Fe  Fe48  1  0.877062  0.931507  0.287803  1
  Fe  Fe49  1  0.539040  0.601211  0.327150  1
  Fe  Fe50  1  0.210396  0.931507  0.287803  1
  Fe  Fe51  1  0.866438  0.282893  0.368879  1
  Fe  Fe52  1  0.543729  0.931507  0.287803  1
  Fe  Fe53  1  0.199771  0.282893  0.368879  1
  Fe  Fe54  1  0.533105  0.282893  0.368879  1
  Fe  Fe55  1  0.736962  0.500640  0.449464  1
  Fe  Fe56  1  0.070296  0.500640  0.449464  1
  Fe  Fe57  1  0.745042  0.824477  0.407546  1
  Fe  Fe58  1  0.403629  0.500640  0.449464  1
  Fe  Fe59  1  0.078376  0.824477  0.407546  1
  Fe  Fe60  1  0.732158  0.181914  0.491377  1
  Fe  Fe61  1  0.411709  0.824477  0.407546  1
  Fe  Fe62  1  0.065491  0.181914  0.491377  1
  Fe  Fe63  1  0.398825  0.181914  0.491377  1
  Fe  Fe64  1  0.905588  0.517284  0.435092  1
  Fe  Fe65  1  0.238922  0.517284  0.435092  1
  Fe  Fe66  1  0.911975  0.837841  0.391240  1
  Fe  Fe67  1  0.572255  0.517284  0.435092  1
  Fe  Fe68  1  0.245309  0.837841  0.391240  1
  Fe  Fe69  1  0.899306  0.195650  0.475575  1
  Fe  Fe70  1  0.578642  0.837841  0.391240  1
  Fe  Fe71  1  0.232639  0.195650  0.475575  1
  Fe  Fe72  1  0.565972  0.195650  0.475575  1
  Fe  Fe73  1  0.631959  0.794985  0.462305  1
  Fe  Fe74  1  0.965293  0.794985  0.462305  1
  Fe  Fe75  1  0.638530  0.117232  0.420082  1
  Fe  Fe76  1  0.298626  0.794985  0.462305  1
  Fe  Fe77  1  0.971863  0.117232  0.420082  1
  Fe  Fe78  1  0.642699  0.435866  0.378268  1
  Fe  Fe79  1  0.305197  0.117232  0.420082  1
  Fe  Fe80  1  0.976032  0.435866  0.378268  1
  Fe  Fe81  1  0.309365  0.435866  0.378268  1
  Fe  Fe82  1  0.806927  0.428118  0.395146  1
  Fe  Fe83  1  0.140260  0.428118  0.395146  1
  Fe  Fe84  1  0.794551  0.785097  0.478655  1
  Fe  Fe85  1  0.473593  0.428118  0.395146  1
  Fe  Fe86  1  0.127885  0.785097  0.478655  1
  Fe  Fe87  1  0.801072  0.105970  0.435821  1
  Fe  Fe88  1  0.461218  0.785097  0.478655  1
  Fe  Fe89  1  0.134406  0.105970  0.435821  1
  Fe  Fe90  1  0.467739  0.105970  0.435821  1
  Fe  Fe91  1  0.676429  0.824912  0.494364  1
  Fe  Fe92  1  0.009763  0.824912  0.494364  1
  Fe  Fe93  1  0.682954  0.146418  0.452570  1
  Fe  Fe94  1  0.343096  0.824912  0.494364  1
  Fe  Fe95  1  0.016287  0.146418  0.452570  1
  Fe  Fe96  1  0.692612  0.471113  0.417274  1
  Fe  Fe97  1  0.349620  0.146418  0.452570  1
  Fe  Fe98  1  0.025945  0.471113  0.417274  1
  Fe  Fe99  1  0.359279  0.471113  0.417274  1
  Fe  Fe100  1  0.853045  0.642856  0.454330  1
  Fe  Fe101  1  0.186378  0.642856  0.454330  1
  Fe  Fe102  1  0.859661  0.963113  0.410734  1
  Fe  Fe103  1  0.519711  0.642856  0.454330  1
  Fe  Fe104  1  0.192995  0.963113  0.410734  1
  Fe  Fe105  1  0.847188  0.320510  0.495625  1
  Fe  Fe106  1  0.526328  0.963113  0.410734  1
  Fe  Fe107  1  0.180521  0.320510  0.495625  1
  Fe  Fe108  1  0.513854  0.320510  0.495625  1
  Fe  Fe109  1  0.717861  0.537785  0.576511  1
  Fe  Fe110  1  0.051194  0.537785  0.576511  1
  Fe  Fe111  1  0.725841  0.861498  0.534087  1
  Fe  Fe112  1  0.384527  0.537785  0.576511  1
  Fe  Fe113  1  0.059174  0.861498  0.534087  1
  Fe  Fe114  1  0.713165  0.216418  0.618300  1
  Fe  Fe115  1  0.392508  0.861498  0.534087  1
  Fe  Fe116  1  0.046498  0.216418  0.618300  1
  Fe  Fe117  1  0.379831  0.216418  0.618300  1
  Fe  Fe118  1  0.886285  0.554387  0.561876  1
  Fe  Fe119  1  0.219618  0.554387  0.561876  1
  Fe  Fe120  1  0.892749  0.874567  0.517479  1
  Fe  Fe121  1  0.552952  0.554387  0.561876  1
  Fe  Fe122  1  0.226082  0.874567  0.517479  1
  Fe  Fe123  1  0.880812  0.232925  0.602665  1
  Fe  Fe124  1  0.559415  0.874567  0.517479  1
  Fe  Fe125  1  0.214145  0.232925  0.602665  1
  Fe  Fe126  1  0.547478  0.232925  0.602665  1
  Fe  Fe127  1  0.612795  0.831349  0.588524  1
  Fe  Fe128  1  0.946128  0.831349  0.588524  1
  Fe  Fe129  1  0.619487  0.154350  0.547342  1
  Fe  Fe130  1  0.279462  0.831349  0.588524  1
  Fe  Fe131  1  0.952820  0.154350  0.547342  1
  Fe  Fe132  1  0.623761  0.472342  0.505040  1
  Fe  Fe133  1  0.286153  0.154350  0.547342  1
  Fe  Fe134  1  0.957094  0.472342  0.505040  1
  Fe  Fe135  1  0.290427  0.472342  0.505040  1
  Fe  Fe136  1  0.788214  0.465416  0.522202  1
  Fe  Fe137  1  0.121547  0.465416  0.522202  1
  Fe  Fe138  1  0.775628  0.820025  0.604791  1
  Fe  Fe139  1  0.454880  0.465416  0.522202  1
  Fe  Fe140  1  0.108961  0.820025  0.604791  1
  Fe  Fe141  1  0.781583  0.143045  0.562661  1
  Fe  Fe142  1  0.442294  0.820025  0.604791  1
  Fe  Fe143  1  0.114917  0.143045  0.562661  1
  Fe  Fe144  1  0.448250  0.143045  0.562661  1
  Fe  Fe145  1  0.657238  0.861043  0.620234  1
  Fe  Fe146  1  0.990571  0.861043  0.620234  1
  Fe  Fe147  1  0.664064  0.183494  0.579976  1
  Fe  Fe148  1  0.323905  0.861043  0.620234  1
  Fe  Fe149  1  0.997398  0.183494  0.579976  1
  Fe  Fe150  1  0.673516  0.508747  0.544369  1
  Fe  Fe151  1  0.330731  0.183494  0.579976  1
  Fe  Fe152  1  0.006849  0.508747  0.544369  1
  Fe  Fe153  1  0.340182  0.508747  0.544369  1
  Fe  Fe154  1  0.833642  0.680260  0.581203  1
  Fe  Fe155  1  0.166975  0.680260  0.581203  1
  Fe  Fe156  1  0.840526  0.999826  0.537142  1
  Fe  Fe157  1  0.500308  0.680260  0.581203  1
  Fe  Fe158  1  0.173859  0.999826  0.537142  1
  Fe  Fe159  1  0.828348  0.357275  0.622506  1
  Fe  Fe160  1  0.507193  0.999826  0.537142  1
  Fe  Fe161  1  0.161682  0.357275  0.622506  1
  Fe  Fe162  1  0.495015  0.357275  0.622506  1
  Fe  Fe163  1  0.699128  0.573486  0.703606  1
  Fe  Fe164  1  0.032461  0.573486  0.703606  1
  Fe  Fe165  1  0.706815  0.898498  0.660435  1
  Fe  Fe166  1  0.365794  0.573486  0.703606  1
  Fe  Fe167  1  0.040149  0.898498  0.660435  1
  Fe  Fe168  1  0.693992  0.248813  0.737615  1
  Fe  Fe169  1  0.373482  0.898498  0.660435  1
  Fe  Fe170  1  0.027326  0.248813  0.737615  1
  Fe  Fe171  1  0.360659  0.248813  0.737615  1
  Fe  Fe172  1  0.866691  0.595019  0.690100  1
  Fe  Fe173  1  0.200025  0.595019  0.690100  1
  Fe  Fe174  1  0.873914  0.911840  0.643798  1
  Fe  Fe175  1  0.533358  0.595019  0.690100  1
  Fe  Fe176  1  0.207248  0.911840  0.643798  1
  Fe  Fe177  1  0.858535  0.265377  0.725288  1
  Fe  Fe178  1  0.540581  0.911840  0.643798  1
  Fe  Fe179  1  0.191869  0.265377  0.725288  1
  Fe  Fe180  1  0.525202  0.265377  0.725288  1
  Fe  Fe181  1  0.593876  0.870189  0.714526  1
  Fe  Fe182  1  0.927209  0.870189  0.714526  1
  Fe  Fe183  1  0.601211  0.188097  0.676172  1
  Fe  Fe184  1  0.260542  0.870189  0.714526  1
  Fe  Fe185  1  0.934544  0.188097  0.676172  1
  Fe  Fe186  1  0.604339  0.509985  0.631978  1
  Fe  Fe187  1  0.267878  0.188097  0.676172  1
  Fe  Fe188  1  0.937673  0.509985  0.631978  1
  Fe  Fe189  1  0.271006  0.509985  0.631978  1
  Fe  Fe190  1  0.769008  0.502080  0.649199  1
  Fe  Fe191  1  0.102341  0.502080  0.649199  1
  Fe  Fe192  1  0.758535  0.848169  0.725651  1
  Fe  Fe193  1  0.435674  0.502080  0.649199  1
  Fe  Fe194  1  0.091868  0.848169  0.725651  1
  Fe  Fe195  1  0.763913  0.184006  0.689757  1
  Fe  Fe196  1  0.425201  0.848169  0.725651  1
  Fe  Fe197  1  0.097246  0.184006  0.689757  1
  Fe  Fe198  1  0.430579  0.184006  0.689757  1
  Fe  Fe199  1  0.639451  0.899090  0.740423  1
  Fe  Fe200  1  0.972784  0.899090  0.740423  1
  Fe  Fe201  1  0.648452  0.216887  0.707331  1
  Fe  Fe202  1  0.306118  0.899090  0.740423  1
  Fe  Fe203  1  0.981785  0.216887  0.707331  1
  Fe  Fe204  1  0.654390  0.544996  0.671188  1
  Fe  Fe205  1  0.315119  0.216887  0.707331  1
  Fe  Fe206  1  0.987724  0.544996  0.671188  1
  Fe  Fe207  1  0.321057  0.544996  0.671188  1
  Fe  Fe208  1  0.811911  0.721141  0.707975  1
  Fe  Fe209  1  0.145244  0.721141  0.707975  1
  Fe  Fe210  1  0.821954  0.037297  0.664022  1
  Fe  Fe211  1  0.478577  0.721141  0.707975  1
  Fe  Fe212  1  0.155288  0.037297  0.664022  1
  Fe  Fe213  1  0.808040  0.386047  0.742295  1
  Fe  Fe214  1  0.488621  0.037297  0.664022  1
  Fe  Fe215  1  0.141373  0.386047  0.742295  1
  Fe  Fe216  1  0.474707  0.386047  0.742295  1
  P  P217  1  0.786461  0.540156  0.324711  1
  P  P218  1  0.119795  0.540156  0.324711  1
  P  P219  1  0.794435  0.860078  0.282845  1
  P  P220  1  0.453128  0.540156  0.324711  1
  P  P221  1  0.127769  0.860078  0.282845  1
  P  P222  1  0.781884  0.220114  0.365377  1
  P  P223  1  0.461102  0.860078  0.282845  1
  P  P224  1  0.115217  0.220114  0.365377  1
  P  P225  1  0.448551  0.220114  0.365377  1
  P  P226  1  0.955596  0.341101  0.314843  1
  P  P227  1  0.288929  0.341101  0.314843  1
  P  P228  1  0.961023  0.665023  0.272297  1
  P  P229  1  0.622263  0.341101  0.314843  1
  P  P230  1  0.294357  0.665023  0.272297  1
  P  P231  1  0.949047  0.020910  0.354404  1
  P  P232  1  0.627690  0.665023  0.272297  1
  P  P233  1  0.282381  0.020910  0.354404  1
  P  P234  1  0.615714  0.020910  0.354404  1
  P  P235  1  0.619240  0.680172  0.334631  1
  P  P236  1  0.952573  0.680172  0.334631  1
  P  P237  1  0.626539  0.999864  0.291412  1
  P  P238  1  0.285907  0.680172  0.334631  1
  P  P239  1  0.959872  0.999864  0.291412  1
  P  P240  1  0.633882  0.323218  0.253453  1
  P  P241  1  0.293206  0.999864  0.291412  1
  P  P242  1  0.967215  0.323218  0.253453  1
  P  P243  1  0.300549  0.323218  0.253453  1
  P  P244  1  0.798625  0.519067  0.263399  1
  P  P245  1  0.131959  0.519067  0.263399  1
  P  P246  1  0.784531  0.879798  0.344961  1
  P  P247  1  0.465292  0.519067  0.263399  1
  P  P248  1  0.117865  0.879798  0.344961  1
  P  P249  1  0.793850  0.195895  0.301966  1
  P  P250  1  0.451198  0.879798  0.344961  1
  P  P251  1  0.127183  0.195895  0.301966  1
  P  P252  1  0.460517  0.195895  0.301966  1
  P  P253  1  0.795650  0.704018  0.250809  1
  P  P254  1  0.128983  0.704018  0.250809  1
  P  P255  1  0.785351  0.056049  0.335354  1
  P  P256  1  0.462316  0.704018  0.250809  1
  P  P257  1  0.118685  0.056049  0.335354  1
  P  P258  1  0.790741  0.375536  0.295185  1
  P  P259  1  0.452018  0.056049  0.335354  1
  P  P260  1  0.124074  0.375536  0.295185  1
  P  P261  1  0.457408  0.375536  0.295185  1
  P  P262  1  0.625072  0.825208  0.298584  1
  P  P263  1  0.958406  0.825208  0.298584  1
  P  P264  1  0.632029  0.141796  0.254521  1
  P  P265  1  0.291739  0.825208  0.298584  1
  P  P266  1  0.965363  0.141796  0.254521  1
  P  P267  1  0.618066  0.505247  0.341791  1
  P  P268  1  0.298696  0.141796  0.254521  1
  P  P269  1  0.951399  0.505247  0.341791  1
  P  P270  1  0.284732  0.505247  0.341791  1
  P  P271  1  0.900782  0.295063  0.341791  1
  P  P272  1  0.234115  0.295063  0.341791  1
  P  P273  1  0.905747  0.614848  0.299393  1
  P  P274  1  0.567448  0.295063  0.341791  1
  P  P275  1  0.239081  0.614848  0.299393  1
  P  P276  1  0.913552  0.930691  0.256506  1
  P  P277  1  0.572414  0.614848  0.299393  1
  P  P278  1  0.246886  0.930691  0.256506  1
  P  P279  1  0.580219  0.930691  0.256506  1
  P  P280  1  0.741920  0.688207  0.278682  1
  P  P281  1  0.075253  0.688207  0.278682  1
  P  P282  1  0.729475  0.044591  0.363651  1
  P  P283  1  0.408586  0.688207  0.278682  1
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