# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.12657530
_cell_length_b   20.05114035
_cell_length_c   51.68701921
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.98146719
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe64 P256'
_cell_volume   15483.1325577
_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  0.903130  0.936163  0.290200  1
  Fe  Fe2  1  0.829394  0.376113  0.334782  1
  Fe  Fe3  1  0.587298  0.121357  0.334376  1
  Fe  Fe4  1  0.658351  0.687952  0.290753  1
  Fe  Fe5  1  0.698374  0.757802  0.337044  1
  Fe  Fe6  1  0.788548  0.311228  0.289773  1
  Fe  Fe7  1  0.752653  0.026046  0.313303  1
  Fe  Fe8  1  0.649896  0.485909  0.365105  1
  Fe  Fe9  1  0.403130  0.936163  0.290200  1
  Fe  Fe10  1  0.329394  0.376113  0.334782  1
  Fe  Fe11  1  0.087298  0.121357  0.334376  1
  Fe  Fe12  1  0.158351  0.687952  0.290753  1
  Fe  Fe13  1  0.198374  0.757802  0.337044  1
  Fe  Fe14  1  0.288548  0.311228  0.289773  1
  Fe  Fe15  1  0.252653  0.026046  0.313303  1
  Fe  Fe16  1  0.149896  0.485909  0.365105  1
  Fe  Fe17  1  0.738360  0.826626  0.389659  1
  Fe  Fe18  1  0.651207  0.277804  0.445014  1
  Fe  Fe19  1  0.404339  0.028075  0.446245  1
  Fe  Fe20  1  0.494233  0.576122  0.390188  1
  Fe  Fe21  1  0.526964  0.661643  0.450685  1
  Fe  Fe22  1  0.617911  0.210072  0.394294  1
  Fe  Fe23  1  0.559647  0.937596  0.421581  1
  Fe  Fe24  1  0.470582  0.388542  0.476407  1
  Fe  Fe25  1  0.238360  0.826626  0.389659  1
  Fe  Fe26  1  0.151207  0.277804  0.445014  1
  Fe  Fe27  1  0.904339  0.028075  0.446245  1
  Fe  Fe28  1  0.994233  0.576122  0.390188  1
  Fe  Fe29  1  0.026964  0.661643  0.450685  1
  Fe  Fe30  1  0.117911  0.210072  0.394294  1
  Fe  Fe31  1  0.059647  0.937596  0.421581  1
  Fe  Fe32  1  0.970582  0.388542  0.476407  1
  Fe  Fe33  1  0.559766  0.731028  0.501272  1
  Fe  Fe34  1  0.470534  0.181888  0.556898  1
  Fe  Fe35  1  0.224082  0.931909  0.557815  1
  Fe  Fe36  1  0.314673  0.479560  0.501541  1
  Fe  Fe37  1  0.347118  0.565481  0.561666  1
  Fe  Fe38  1  0.436840  0.113912  0.506229  1
  Fe  Fe39  1  0.379856  0.841310  0.532714  1
  Fe  Fe40  1  0.290831  0.292750  0.588358  1
  Fe  Fe41  1  0.059766  0.731028  0.501272  1
  Fe  Fe42  1  0.970534  0.181888  0.556898  1
  Fe  Fe43  1  0.724082  0.931909  0.557815  1
  Fe  Fe44  1  0.814673  0.479560  0.501541  1
  Fe  Fe45  1  0.847118  0.565481  0.561666  1
  Fe  Fe46  1  0.936840  0.113912  0.506229  1
  Fe  Fe47  1  0.879856  0.841310  0.532714  1
  Fe  Fe48  1  0.790831  0.292750  0.588358  1
  Fe  Fe49  1  0.379827  0.634249  0.612405  1
  Fe  Fe50  1  0.279771  0.092599  0.669134  1
  Fe  Fe51  1  0.044805  0.834968  0.669651  1
  Fe  Fe52  1  0.136964  0.387251  0.615623  1
  Fe  Fe53  1  0.166271  0.459969  0.667559  1
  Fe  Fe54  1  0.254417  0.017899  0.618504  1
  Fe  Fe55  1  0.200702  0.743979  0.644256  1
  Fe  Fe56  1  0.122207  0.189213  0.693085  1
  Fe  Fe57  1  0.879827  0.634249  0.612405  1
  Fe  Fe58  1  0.779771  0.092599  0.669134  1
  Fe  Fe59  1  0.544805  0.834968  0.669651  1
  Fe  Fe60  1  0.636964  0.387251  0.615623  1
  Fe  Fe61  1  0.666271  0.459969  0.667559  1
  Fe  Fe62  1  0.754417  0.017899  0.618504  1
  Fe  Fe63  1  0.700702  0.743979  0.644256  1
  Fe  Fe64  1  0.622207  0.189213  0.693085  1
  P  P65  1  0.845442  0.767487  0.321350  1
  P  P66  1  0.761059  0.217405  0.377275  1
  P  P67  1  0.513651  0.968239  0.378928  1
  P  P68  1  0.602491  0.516140  0.322794  1
  P  P69  1  0.632979  0.799162  0.293919  1
  P  P70  1  0.558990  0.240765  0.349884  1
  P  P71  1  0.600240  0.010842  0.319280  1
  P  P72  1  0.506480  0.464899  0.376560  1
  P  P73  1  0.555624  0.742713  0.351559  1
  P  P74  1  0.651029  0.289778  0.294063  1
  P  P75  1  0.437818  0.112446  0.349373  1
  P  P76  1  0.520635  0.666245  0.294375  1
  P  P77  1  0.470907  0.890569  0.324480  1
  P  P78  1  0.385823  0.340994  0.376817  1
  P  P79  1  0.892923  0.047243  0.292564  1
  P  P80  1  0.806644  0.491497  0.350773  1
  P  P81  1  0.765323  0.914485  0.292056  1
  P  P82  1  0.681077  0.365879  0.350505  1
  P  P83  1  0.383234  0.842245  0.377842  1
  P  P84  1  0.477073  0.390061  0.320592  1
  P  P85  1  0.804181  0.992216  0.352055  1
  P  P86  1  0.898319  0.538669  0.296515  1
  P  P87  1  0.534793  0.159968  0.292889  1
  P  P88  1  0.435303  0.617745  0.349982  1
  P  P89  1  0.637427  0.091212  0.377687  1
  P  P90  1  0.729691  0.637025  0.323666  1
  P  P91  1  0.766072  0.714870  0.377700  1
  P  P92  1  0.863837  0.258195  0.321870  1
  P  P93  1  0.680171  0.871368  0.349922  1
  P  P94  1  0.768669  0.422767  0.293687  1
  P  P95  1  0.730360  0.142618  0.322058  1
  P  P96  1  0.637541  0.597780  0.378876  1
  P  P97  1  0.345442  0.767487  0.321350  1
  P  P98  1  0.261059  0.217405  0.377275  1
  P  P99  1  0.013651  0.968239  0.378928  1
  P  P100  1  0.102491  0.516140  0.322794  1
  P  P101  1  0.132979  0.799162  0.293919  1
  P  P102  1  0.058990  0.240765  0.349884  1
  P  P103  1  0.100240  0.010842  0.319280  1
  P  P104  1  0.006480  0.464899  0.376560  1
  P  P105  1  0.055624  0.742713  0.351559  1
  P  P106  1  0.151029  0.289778  0.294063  1
  P  P107  1  0.937818  0.112446  0.349373  1
  P  P108  1  0.020635  0.666245  0.294375  1
  P  P109  1  0.970907  0.890569  0.324480  1
  P  P110  1  0.885823  0.340994  0.376817  1
  P  P111  1  0.392923  0.047243  0.292564  1
  P  P112  1  0.306644  0.491497  0.350773  1
  P  P113  1  0.265323  0.914485  0.292056  1
  P  P114  1  0.181077  0.365879  0.350505  1
  P  P115  1  0.883234  0.842245  0.377842  1
  P  P116  1  0.977073  0.390061  0.320592  1
  P  P117  1  0.304181  0.992216  0.352055  1
  P  P118  1  0.398319  0.538669  0.296515  1
  P  P119  1  0.034793  0.159968  0.292889  1
  P  P120  1  0.935303  0.617745  0.349982  1
  P  P121  1  0.137427  0.091212  0.377687  1
  P  P122  1  0.229691  0.637025  0.323666  1
  P  P123  1  0.266072  0.714870  0.377700  1
  P  P124  1  0.363837  0.258195  0.321870  1
  P  P125  1  0.180171  0.871368  0.349922  1
  P  P126  1  0.268669  0.422767  0.293687  1
  P  P127  1  0.230360  0.142618  0.322058  1
  P  P128  1  0.137541  0.597780  0.378876  1
  P  P129  1  0.669381  0.671072  0.434196  1
  P  P130  1  0.579819  0.122653  0.490014  1
  P  P131  1  0.331403  0.872766  0.490516  1
  P  P132  1  0.421794  0.420330  0.434133  1
  P  P133  1  0.464583  0.694252  0.406966  1
  P  P134  1  0.376156  0.146582  0.462219  1
  P  P135  1  0.416303  0.917024  0.432770  1
  P  P136  1  0.327181  0.368115  0.488042  1
  P  P137  1  0.379791  0.645293  0.461674  1
  P  P138  1  0.470600  0.193056  0.405026  1
  P  P139  1  0.254858  0.020085  0.462148  1
  P  P140  1  0.344433  0.568507  0.405918  1
  P  P141  1  0.292845  0.794433  0.433412  1
  P  P142  1  0.203948  0.246186  0.488666  1
  P  P143  1  0.714822  0.944378  0.407100  1
  P  P144  1  0.626056  0.395833  0.461778  1
  P  P145  1  0.591039  0.817942  0.405619  1
  P  P146  1  0.502198  0.268916  0.460697  1
  P  P147  1  0.205551  0.747155  0.489146  1
  P  P148  1  0.296399  0.294330  0.432511  1
  P  P149  1  0.624466  0.896220  0.461207  1
  P  P150  1  0.715517  0.444053  0.404919  1
  P  P151  1  0.344505  0.069631  0.406001  1
  P  P152  1  0.253708  0.520549  0.461334  1
  P  P153  1  0.457643  0.995410  0.489327  1
  P  P154  1  0.547738  0.543139  0.433258  1
  P  P155  1  0.587470  0.617435  0.489909  1
  P  P156  1  0.677773  0.165408  0.433828  1
  P  P157  1  0.498461  0.776303  0.462053  1
  P  P158  1  0.589275  0.323512  0.405811  1
  P  P159  1  0.547825  0.050062  0.434714  1
  P  P160  1  0.458292  0.500975  0.489964  1
  P  P161  1  0.169381  0.671072  0.434196  1
  P  P162  1  0.079819  0.122653  0.490014  1
  P  P163  1  0.831403  0.872766  0.490516  1
  P  P164  1  0.921794  0.420330  0.434133  1
  P  P165  1  0.964583  0.694252  0.406966  1
  P  P166  1  0.876156  0.146582  0.462219  1
  P  P167  1  0.916303  0.917024  0.432770  1
  P  P168  1  0.827181  0.368115  0.488042  1
  P  P169  1  0.879791  0.645293  0.461674  1
  P  P170  1  0.970600  0.193056  0.405026  1
  P  P171  1  0.754858  0.020085  0.462148  1
  P  P172  1  0.844433  0.568507  0.405918  1
  P  P173  1  0.792845  0.794433  0.433412  1
  P  P174  1  0.703948  0.246186  0.488666  1
  P  P175  1  0.214822  0.944378  0.407100  1
  P  P176  1  0.126056  0.395833  0.461778  1
  P  P177  1  0.091039  0.817942  0.405619  1
  P  P178  1  0.002198  0.268916  0.460697  1
  P  P179  1  0.705551  0.747155  0.489146  1
  P  P180  1  0.796399  0.294330  0.432511  1
  P  P181  1  0.124466  0.896220  0.461207  1
  P  P182  1  0.215517  0.444053  0.404919  1
  P  P183  1  0.844505  0.069631  0.406001  1
  P  P184  1  0.753708  0.520549  0.461334  1
  P  P185  1  0.957643  0.995410  0.489327  1
  P  P186  1  0.047738  0.543139  0.433258  1
  P  P187  1  0.087470  0.617435  0.489909  1
  P  P188  1  0.177773  0.165408  0.433828  1
  P  P189  1  0.998461  0.776303  0.462053  1
  P  P190  1  0.089275  0.323512  0.405811  1
  P  P191  1  0.047825  0.050062  0.434714  1
  P  P192  1  0.958292  0.500975  0.489964  1
  P  P193  1  0.490046  0.574144  0.545560  1
  P  P194  1  0.398988  0.026637  0.602219  1
  P  P195  1  0.151471  0.775783  0.601984  1
  P  P196  1  0.241907  0.323989  0.545859  1
  P  P197  1  0.286175  0.598020  0.517786  1
  P  P198  1  0.195803  0.050062  0.574120  1
  P  P199  1  0.236427  0.820998  0.544508  1
  P  P200  1  0.147406  0.273544  0.599622  1
  P  P201  1  0.200195  0.549500  0.572519  1
  P  P202  1  0.290035  0.097485  0.517283  1
  P  P203  1  0.074689  0.923925  0.574158  1
  P  P204  1  0.165215  0.470990  0.517466  1
  P  P205  1  0.113609  0.698579  0.544618  1
  P  P206  1  0.023447  0.149694  0.600495  1
  P  P207  1  0.535382  0.848847  0.518236  1
  P  P208  1  0.446166  0.299696  0.573488  1
  P  P209  1  0.411615  0.721521  0.517030  1
  P  P210  1  0.322134  0.173081  0.572521  1
  P  P211  1  0.025261  0.651569  0.600122  1
  P  P212  1  0.116090  0.198376  0.544693  1
  P  P213  1  0.444679  0.800475  0.572478  1
  P  P214  1  0.535512  0.347537  0.516279  1
  P  P215  1  0.163421  0.973013  0.517616  1
  P  P216  1  0.074394  0.423877  0.573218  1
  P  P217  1  0.277682  0.899554  0.600953  1
  P  P218  1  0.368682  0.446660  0.544472  1
  P  P219  1  0.407037  0.521127  0.600880  1
  P  P220  1  0.497250  0.069133  0.545830  1
  P  P221  1  0.318733  0.679952  0.573245  1
  P  P222  1  0.409328  0.227967  0.517477  1
  P  P223  1  0.367736  0.953870  0.546319  1
  P  P224  1  0.278350  0.404897  0.600924  1
  P  P225  1  0.990046  0.574144  0.545560  1
  P  P226  1  0.898988  0.026637  0.602219  1
  P  P227  1  0.651471  0.775783  0.601984  1
  P  P228  1  0.741907  0.323989  0.545859  1
  P  P229  1  0.786175  0.598020  0.517786  1
  P  P230  1  0.695803  0.050062  0.574120  1
  P  P231  1  0.736427  0.820998  0.544508  1
  P  P232  1  0.647406  0.273544  0.599622  1
  P  P233  1  0.700195  0.549500  0.572519  1
  P  P234  1  0.790035  0.097485  0.517283  1
  P  P235  1  0.574689  0.923925  0.574158  1
  P  P236  1  0.665215  0.470990  0.517466  1
  P  P237  1  0.613609  0.698579  0.544618  1
  P  P238  1  0.523447  0.149694  0.600495  1
  P  P239  1  0.035382  0.848847  0.518236  1
  P  P240  1  0.946166  0.299696  0.573488  1
  P  P241  1  0.911615  0.721521  0.517030  1
  P  P242  1  0.822134  0.173081  0.572521  1
  P  P243  1  0.525261  0.651569  0.600122  1
  P  P244  1  0.616090  0.198376  0.544693  1
  P  P245  1  0.944679  0.800475  0.572478  1
  P  P246  1  0.035512  0.347537  0.516279  1
  P  P247  1  0.663421  0.973013  0.517616  1
  P  P248  1  0.574394  0.423877  0.573218  1
  P  P249  1  0.777682  0.899554  0.600953  1
  P  P250  1  0.868682  0.446660  0.544472  1
  P  P251  1  0.907037  0.521127  0.600880  1
  P  P252  1  0.997250  0.069133  0.545830  1
  P  P253  1  0.818733  0.679952  0.573245  1
  P  P254  1  0.909328  0.227967  0.517477  1
  P  P255  1  0.867736  0.953870  0.546319  1
  P  P256  1  0.778350  0.404897  0.600924  1
  P  P257  1  0.311482  0.475182  0.655879  1
  P  P258  1  0.219473  0.928140  0.710831  1
  P  P259  1  0.969464  0.677965  0.710205  1
  P  P260  1  0.060661  0.226634  0.655757  1
  P  P261  1  0.104601  0.504288  0.628194  1
  P  P262  1  0.013291  0.951295  0.686236  1
  P  P263  1  0.057648  0.722224  0.656072  1
  P  P264  1  0.979099  0.178376  0.712555  1
  P  P265  1  0.019996  0.452506  0.683662  1
  P  P266  1  0.107903  1.002480  0.629631  1
  P  P267  1  0.892917  0.825902  0.685388  1
  P  P268  1  0.985950  0.375064  0.629044  1
  P  P269  1  0.933391  0.601098  0.655876  1
  P  P270  1  0.838088  0.057666  0.712193  1
  P  P271  1  0.356068  0.751581  0.629555  1
  P  P272  1  0.270746  0.205721  0.686871  1
  P  P273  1  0.232139  0.624334  0.628395  1
  P  P274  1  0.139527  0.074339  0.684762  1
  P  P275  1  0.844968  0.553077  0.709468  1
  P  P276  1  0.932987  0.102943  0.657585  1
  P  P277  1  0.264506  0.703626  0.683763  1
  P  P278  1  0.355700  0.252122  0.628160  1
  P  P279  1  0.982877  0.875788  0.629558  1
  P  P280  1  0.895810  0.328467  0.684285  1
  P  P281  1  0.096974  0.801641  0.711424  1
  P  P282  1  0.190072  0.345855  0.656324  1
  P  P283  1  0.223575  0.428115  0.710626  1
  P  P284  1  0.316395  0.974904  0.657780  1
  P  P285  1  0.142221  0.576930  0.684460  1
  P  P286  1  0.230520  0.132601  0.628790  1
  P  P287  1  0.187562  0.857066  0.656766  1
  P  P288  1  0.097616  0.302752  0.711761  1
  P  P289  1  0.811482  0.475182  0.655879  1
  P  P290  1  0.719473  0.928140  0.710831  1
  P  P291  1  0.469464  0.677965  0.710205  1
  P  P292  1  0.560661  0.226634  0.655757  1
  P  P293  1  0.604601  0.504288  0.628194  1
  P  P294  1  0.513291  0.951295  0.686236  1
  P  P295  1  0.557648  0.722224  0.656072  1
  P  P296  1  0.479099  0.178376  0.712555  1
  P  P297  1  0.519996  0.452506  0.683662  1
  P  P298  1  0.607903  1.002480  0.629631  1
  P  P299  1  0.392917  0.825902  0.685388  1
  P  P300  1  0.485950  0.375064  0.629044  1
  P  P301  1  0.433391  0.601098  0.655876  1
  P  P302  1  0.338088  0.057666  0.712193  1
  P  P303  1  0.856068  0.751581  0.629555  1
  P  P304  1  0.770746  0.205721  0.686871  1
  P  P305  1  0.732139  0.624334  0.628395  1
  P  P306  1  0.639527  0.074339  0.684762  1
  P  P307  1  0.344968  0.553077  0.709468  1
  P  P308  1  0.432987  0.102943  0.657585  1
  P  P309  1  0.764506  0.703626  0.683763  1
  P  P310  1  0.855700  0.252122  0.628160  1
  P  P311  1  0.482877  0.875788  0.629558  1
  P  P312  1  0.395810  0.328467  0.684285  1
  P  P313  1  0.596974  0.801641  0.711424  1
  P  P314  1  0.690072  0.345855  0.656324  1
  P  P315  1  0.723575  0.428115  0.710626  1
  P  P316  1  0.816395  0.974904  0.657780  1
  P  P317  1  0.642221  0.576930  0.684460  1
  P  P318  1  0.730520  0.132601  0.628790  1
  P  P319  1  0.687562  0.857066  0.656766  1
  P  P320  1  0.597616  0.302752  0.711761  1
