# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   51.32825011
_cell_length_b   21.04238316
_cell_length_c   51.88520941
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.52676822
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe216 P864'
_cell_volume   52499.8895224
_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  0.820619  0.922589  0.319040  1
  Fe  Fe2  1  0.487286  0.922589  0.319040  1
  Fe  Fe3  1  0.816196  0.629083  0.344221  1
  Fe  Fe4  1  0.153952  0.922589  0.319040  1
  Fe  Fe5  1  0.482862  0.629083  0.344221  1
  Fe  Fe6  1  0.827894  0.193572  0.295440  1
  Fe  Fe7  1  0.149529  0.629083  0.344221  1
  Fe  Fe8  1  0.494561  0.193572  0.295440  1
  Fe  Fe9  1  0.161227  0.193572  0.295440  1
  Fe  Fe10  1  0.654290  0.884643  0.310491  1
  Fe  Fe11  1  0.320956  0.884643  0.310491  1
  Fe  Fe12  1  0.650062  0.597333  0.346515  1
  Fe  Fe13  1  0.987623  0.884643  0.310491  1
  Fe  Fe14  1  0.316729  0.597333  0.346515  1
  Fe  Fe15  1  0.648684  0.344254  0.395137  1
  Fe  Fe16  1  0.983395  0.597333  0.346515  1
  Fe  Fe17  1  0.315351  0.344254  0.395137  1
  Fe  Fe18  1  0.982017  0.344254  0.395137  1
  Fe  Fe19  1  0.924409  0.564569  0.289546  1
  Fe  Fe20  1  0.591075  0.564569  0.289546  1
  Fe  Fe21  1  0.924820  0.316589  0.330750  1
  Fe  Fe22  1  0.257742  0.564569  0.289546  1
  Fe  Fe23  1  0.591487  0.316589  0.330750  1
  Fe  Fe24  1  0.918810  0.026945  0.359223  1
  Fe  Fe25  1  0.258153  0.316589  0.330750  1
  Fe  Fe26  1  0.585476  0.026945  0.359223  1
  Fe  Fe27  1  0.252143  0.026945  0.359223  1
  Fe  Fe28  1  0.751483  0.065192  0.369042  1
  Fe  Fe29  1  0.418150  0.065192  0.369042  1
  Fe  Fe30  1  0.765285  0.588576  0.293146  1
  Fe  Fe31  1  0.084817  0.065192  0.369042  1
  Fe  Fe32  1  0.431952  0.588576  0.293146  1
  Fe  Fe33  1  0.761376  0.335547  0.331884  1
  Fe  Fe34  1  0.098619  0.588576  0.293146  1
  Fe  Fe35  1  0.428043  0.335547  0.331884  1
  Fe  Fe36  1  0.094709  0.335547  0.331884  1
  Fe  Fe37  1  0.870692  0.601883  0.314252  1
  Fe  Fe38  1  0.537358  0.601883  0.314252  1
  Fe  Fe39  1  0.872983  0.345307  0.361812  1
  Fe  Fe40  1  0.204025  0.601883  0.314252  1
  Fe  Fe41  1  0.539650  0.345307  0.361812  1
  Fe  Fe42  1  0.873858  0.889946  0.293650  1
  Fe  Fe43  1  0.206317  0.345307  0.361812  1
  Fe  Fe44  1  0.540525  0.889946  0.293650  1
  Fe  Fe45  1  0.207191  0.889946  0.293650  1
  Fe  Fe46  1  0.700481  0.822881  0.351865  1
  Fe  Fe47  1  0.367148  0.822881  0.351865  1
  Fe  Fe48  1  0.719067  0.377177  0.292369  1
  Fe  Fe49  1  0.033815  0.822881  0.351865  1
  Fe  Fe50  1  0.385733  0.377177  0.292369  1
  Fe  Fe51  1  0.707295  0.126610  0.328222  1
  Fe  Fe52  1  0.052400  0.377177  0.292369  1
  Fe  Fe53  1  0.373962  0.126610  0.328222  1
  Fe  Fe54  1  0.040629  0.126610  0.328222  1
  Fe  Fe55  1  0.805852  0.087985  0.432988  1
  Fe  Fe56  1  0.472518  0.087985  0.432988  1
  Fe  Fe57  1  0.803228  0.793550  0.457611  1
  Fe  Fe58  1  0.139185  0.087985  0.432988  1
  Fe  Fe59  1  0.469895  0.793550  0.457611  1
  Fe  Fe60  1  0.810983  0.380123  0.398997  1
  Fe  Fe61  1  0.136561  0.793550  0.457611  1
  Fe  Fe62  1  0.477650  0.380123  0.398997  1
  Fe  Fe63  1  0.144316  0.380123  0.398997  1
  Fe  Fe64  1  0.642813  0.046833  0.422360  1
  Fe  Fe65  1  0.309479  0.046833  0.422360  1
  Fe  Fe66  1  0.633711  0.766398  0.453656  1
  Fe  Fe67  1  0.976146  0.046833  0.422360  1
  Fe  Fe68  1  0.300377  0.766398  0.453656  1
  Fe  Fe69  1  0.635321  0.509756  0.506846  1
  Fe  Fe70  1  0.967044  0.766398  0.453656  1
  Fe  Fe71  1  0.301987  0.509756  0.506846  1
  Fe  Fe72  1  0.968654  0.509756  0.506846  1
  Fe  Fe73  1  0.916962  0.730111  0.389856  1
  Fe  Fe74  1  0.583629  0.730111  0.389856  1
  Fe  Fe75  1  0.911235  0.481257  0.444055  1
  Fe  Fe76  1  0.250296  0.730111  0.389856  1
  Fe  Fe77  1  0.577902  0.481257  0.444055  1
  Fe  Fe78  1  0.906392  0.187343  0.472293  1
  Fe  Fe79  1  0.244569  0.481257  0.444055  1
  Fe  Fe80  1  0.573059  0.187343  0.472293  1
  Fe  Fe81  1  0.239725  0.187343  0.472293  1
  Fe  Fe82  1  0.738334  0.231031  0.480806  1
  Fe  Fe83  1  0.405001  0.231031  0.480806  1
  Fe  Fe84  1  0.745925  0.765516  0.394649  1
  Fe  Fe85  1  0.071668  0.231031  0.480806  1
  Fe  Fe86  1  0.412592  0.765516  0.394649  1
  Fe  Fe87  1  0.748116  0.504039  0.445878  1
  Fe  Fe88  1  0.079259  0.765516  0.394649  1
  Fe  Fe89  1  0.414782  0.504039  0.445878  1
  Fe  Fe90  1  0.081449  0.504039  0.445878  1
  Fe  Fe91  1  0.855101  0.764898  0.427326  1
  Fe  Fe92  1  0.521768  0.764898  0.427326  1
  Fe  Fe93  1  0.859326  0.509274  0.474953  1
  Fe  Fe94  1  0.188435  0.764898  0.427326  1
  Fe  Fe95  1  0.525993  0.509274  0.474953  1
  Fe  Fe96  1  0.866515  0.053313  0.391729  1
  Fe  Fe97  1  0.192660  0.509274  0.474953  1
  Fe  Fe98  1  0.533182  0.053313  0.391729  1
  Fe  Fe99  1  0.199849  0.053313  0.391729  1
  Fe  Fe100  1  0.687626  0.985999  0.464412  1
  Fe  Fe101  1  0.354293  0.985999  0.464412  1
  Fe  Fe102  1  0.696097  0.553811  0.391254  1
  Fe  Fe103  1  0.020959  0.985999  0.464412  1
  Fe  Fe104  1  0.362764  0.553811  0.391254  1
  Fe  Fe105  1  0.693784  0.289923  0.438335  1
  Fe  Fe106  1  0.029430  0.553811  0.391254  1
  Fe  Fe107  1  0.360451  0.289923  0.438335  1
  Fe  Fe108  1  0.027117  0.289923  0.438335  1
  Fe  Fe109  1  0.792484  0.252027  0.544666  1
  Fe  Fe110  1  0.459150  0.252027  0.544666  1
  Fe  Fe111  1  0.790049  0.958584  0.569792  1
  Fe  Fe112  1  0.125817  0.252027  0.544666  1
  Fe  Fe113  1  0.456716  0.958584  0.569792  1
  Fe  Fe114  1  0.797928  0.543734  0.510763  1
  Fe  Fe115  1  0.123382  0.958584  0.569792  1
  Fe  Fe116  1  0.464594  0.543734  0.510763  1
  Fe  Fe117  1  0.131261  0.543734  0.510763  1
  Fe  Fe118  1  0.629591  0.210713  0.534266  1
  Fe  Fe119  1  0.296258  0.210713  0.534266  1
  Fe  Fe120  1  0.620538  0.929369  0.565552  1
  Fe  Fe121  1  0.962925  0.210713  0.534266  1
  Fe  Fe122  1  0.287205  0.929369  0.565552  1
  Fe  Fe123  1  0.622144  0.675231  0.619190  1
  Fe  Fe124  1  0.953872  0.929369  0.565552  1
  Fe  Fe125  1  0.288811  0.675231  0.619190  1
  Fe  Fe126  1  0.955478  0.675231  0.619190  1
  Fe  Fe127  1  0.903892  0.893778  0.501954  1
  Fe  Fe128  1  0.570558  0.893778  0.501954  1
  Fe  Fe129  1  0.898177  0.646493  0.556483  1
  Fe  Fe130  1  0.237225  0.893778  0.501954  1
  Fe  Fe131  1  0.564844  0.646493  0.556483  1
  Fe  Fe132  1  0.893598  0.350497  0.584169  1
  Fe  Fe133  1  0.231510  0.646493  0.556483  1
  Fe  Fe134  1  0.560265  0.350497  0.584169  1
  Fe  Fe135  1  0.226931  0.350497  0.584169  1
  Fe  Fe136  1  0.725303  0.395213  0.592882  1
  Fe  Fe137  1  0.391969  0.395213  0.592882  1
  Fe  Fe138  1  0.732458  0.929995  0.507232  1
  Fe  Fe139  1  0.058636  0.395213  0.592882  1
  Fe  Fe140  1  0.399125  0.929995  0.507232  1
  Fe  Fe141  1  0.735724  0.667412  0.557962  1
  Fe  Fe142  1  0.065792  0.929995  0.507232  1
  Fe  Fe143  1  0.402390  0.667412  0.557962  1
  Fe  Fe144  1  0.069057  0.667412  0.557962  1
  Fe  Fe145  1  0.841735  0.929854  0.539073  1
  Fe  Fe146  1  0.508402  0.929854  0.539073  1
  Fe  Fe147  1  0.846135  0.674729  0.587182  1
  Fe  Fe148  1  0.175068  0.929854  0.539073  1
  Fe  Fe149  1  0.512802  0.674729  0.587182  1
  Fe  Fe150  1  0.853240  0.216593  0.504227  1
  Fe  Fe151  1  0.179469  0.674729  0.587182  1
  Fe  Fe152  1  0.519906  0.216593  0.504227  1
  Fe  Fe153  1  0.186573  0.216593  0.504227  1
  Fe  Fe154  1  0.674258  0.150737  0.576459  1
  Fe  Fe155  1  0.340925  0.150737  0.576459  1
  Fe  Fe156  1  0.684747  0.716685  0.505759  1
  Fe  Fe157  1  0.007591  0.150737  0.576459  1
  Fe  Fe158  1  0.351414  0.716685  0.505759  1
  Fe  Fe159  1  0.680631  0.455076  0.550047  1
  Fe  Fe160  1  0.018081  0.716685  0.505759  1
  Fe  Fe161  1  0.347298  0.455076  0.550047  1
  Fe  Fe162  1  0.013965  0.455076  0.550047  1
  Fe  Fe163  1  0.780491  0.414796  0.655299  1
  Fe  Fe164  1  0.447158  0.414796  0.655299  1
  Fe  Fe165  1  0.774977  0.122595  0.679973  1
  Fe  Fe166  1  0.113824  0.414796  0.655299  1
  Fe  Fe167  1  0.441644  0.122595  0.679973  1
  Fe  Fe168  1  0.785803  0.707290  0.622035  1
  Fe  Fe169  1  0.108311  0.122595  0.679973  1
  Fe  Fe170  1  0.452470  0.707290  0.622035  1
  Fe  Fe171  1  0.119137  0.707290  0.622035  1
  Fe  Fe172  1  0.617663  0.376015  0.645197  1
  Fe  Fe173  1  0.284330  0.376015  0.645197  1
  Fe  Fe174  1  0.606815  0.093014  0.678455  1
  Fe  Fe175  1  0.950997  0.376015  0.645197  1
  Fe  Fe176  1  0.273482  0.093014  0.678455  1
  Fe  Fe177  1  0.601365  0.846270  0.720767  1
  Fe  Fe178  1  0.940149  0.093014  0.678455  1
  Fe  Fe179  1  0.268032  0.846270  0.720767  1
  Fe  Fe180  1  0.934699  0.846270  0.720767  1
  Fe  Fe181  1  0.890253  0.056876  0.613770  1
  Fe  Fe182  1  0.556919  0.056876  0.613770  1
  Fe  Fe183  1  0.884730  0.811610  0.669073  1
  Fe  Fe184  1  0.223586  0.056876  0.613770  1
  Fe  Fe185  1  0.551396  0.811610  0.669073  1
  Fe  Fe186  1  0.881617  0.515408  0.690200  1
  Fe  Fe187  1  0.218063  0.811610  0.669073  1
  Fe  Fe188  1  0.548283  0.515408  0.690200  1
  Fe  Fe189  1  0.214950  0.515408  0.690200  1
  Fe  Fe190  1  0.711395  0.564338  0.699072  1
  Fe  Fe191  1  0.378062  0.564338  0.699072  1
  Fe  Fe192  1  0.719025  0.094330  0.619306  1
  Fe  Fe193  1  0.044729  0.564338  0.699072  1
  Fe  Fe194  1  0.385692  0.094330  0.619306  1
  Fe  Fe195  1  0.721859  0.834290  0.668900  1
  Fe  Fe196  1  0.052358  0.094330  0.619306  1
  Fe  Fe197  1  0.388526  0.834290  0.668900  1
  Fe  Fe198  1  0.055193  0.834290  0.668900  1
  Fe  Fe199  1  0.827763  0.094770  0.651053  1
  Fe  Fe200  1  0.494430  0.094770  0.651053  1
  Fe  Fe201  1  0.830421  0.837096  0.695230  1
  Fe  Fe202  1  0.161096  0.094770  0.651053  1
  Fe  Fe203  1  0.497087  0.837096  0.695230  1
  Fe  Fe204  1  0.840268  0.380332  0.615663  1
  Fe  Fe205  1  0.163754  0.837096  0.695230  1
  Fe  Fe206  1  0.506935  0.380332  0.615663  1
  Fe  Fe207  1  0.173601  0.380332  0.615663  1
  Fe  Fe208  1  0.664192  0.310326  0.682611  1
  Fe  Fe209  1  0.330859  0.310326  0.682611  1
  Fe  Fe210  1  0.671754  0.880010  0.617818  1
  Fe  Fe211  1  0.997526  0.310326  0.682611  1
  Fe  Fe212  1  0.338421  0.880010  0.617818  1
  Fe  Fe213  1  0.668061  0.619875  0.661037  1
  Fe  Fe214  1  0.005087  0.880010  0.617818  1
  Fe  Fe215  1  0.334728  0.619875  0.661037  1
  Fe  Fe216  1  0.001395  0.619875  0.661037  1
  P  P217  1  0.787361  0.872042  0.336984  1
  P  P218  1  0.454027  0.872042  0.336984  1
  P  P219  1  0.782921  0.580421  0.362823  1
  P  P220  1  0.120694  0.872042  0.336984  1
  P  P221  1  0.449588  0.580421  0.362823  1
  P  P222  1  0.796761  0.146952  0.304185  1
  P  P223  1  0.116254  0.580421  0.362823  1
  P  P224  1  0.463428  0.146952  0.304185  1
  P  P225  1  0.130094  0.146952  0.304185  1
  P  P226  1  0.628216  0.998439  0.290289  1
  P  P227  1  0.294883  0.998439  0.290289  1
  P  P228  1  0.621545  0.701804  0.321816  1
  P  P229  1  0.961550  0.998439  0.290289  1
  P  P230  1  0.288212  0.701804  0.321816  1
  P  P231  1  0.619230  0.448690  0.372283  1
  P  P232  1  0.954879  0.701804  0.321816  1
  P  P233  1  0.285896  0.448690  0.372283  1
  P  P234  1  0.952563  0.448690  0.372283  1
  P  P235  1  0.947312  0.788631  0.376500  1
  P  P236  1  0.613979  0.788631  0.376500  1
  P  P237  1  0.956597  0.371998  0.314984  1
  P  P238  1  0.280645  0.788631  0.376500  1
  P  P239  1  0.623264  0.371998  0.314984  1
  P  P240  1  0.953597  0.079106  0.344566  1
  P  P241  1  0.289931  0.371998  0.314984  1
  P  P242  1  0.620263  0.079106  0.344566  1
  P  P243  1  0.286930  0.079106  0.344566  1
  P  P244  1  0.791745  0.792596  0.284581  1
  P  P245  1  0.458411  0.792596  0.284581  1
  P  P246  1  0.790564  0.490058  0.309785  1
  P  P247  1  0.125078  0.792596  0.284581  1
  P  P248  1  0.457231  0.490058  0.309785  1
  P  P249  1  0.789306  0.236799  0.358186  1
  P  P250  1  0.123897  0.490058  0.309785  1
  P  P251  1  0.455972  0.236799  0.358186  1
  P  P252  1  0.122639  0.236799  0.358186  1
  P  P253  1  0.790076  0.651033  0.304149  1
  P  P254  1  0.456743  0.651033  0.304149  1
  P  P255  1  0.787386  0.395545  0.357928  1
  P  P256  1  0.123409  0.651033  0.304149  1
  P  P257  1  0.454053  0.395545  0.357928  1
  P  P258  1  0.793575  0.950045  0.280250  1
  P  P259  1  0.120719  0.395545  0.357928  1
  P  P260  1  0.460242  0.950045  0.280250  1
  P  P261  1  0.126908  0.950045  0.280250  1
  P  P262  1  0.948237  0.620082  0.376282  1
  P  P263  1  0.614904  0.620082  0.376282  1
  P  P264  1  0.958722  0.214678  0.311939  1
  P  P265  1  0.281570  0.620082  0.376282  1
  P  P266  1  0.625389  0.214678  0.311939  1
  P  P267  1  0.952910  0.920129  0.342723  1
  P  P268  1  0.292055  0.214678  0.311939  1
  P  P269  1  0.619577  0.920129  0.342723  1
  P  P270  1  0.286243  0.920129  0.342723  1
  P  P271  1  0.678467  0.076681  0.302297  1
  P  P272  1  0.345134  0.076681  0.302297  1
  P  P273  1  0.670195  0.775682  0.330299  1
  P  P274  1  0.011801  0.076681  0.302297  1
  P  P275  1  0.336862  0.775682  0.330299  1
  P  P276  1  0.673748  0.490554  0.367076  1
  P  P277  1  0.003529  0.775682  0.330299  1
  P  P278  1  0.340415  0.490554  0.367076  1
  P  P279  1  0.007082  0.490554  0.367076  1
  P  P280  1  0.838456  0.705759  0.330368  1
  P  P281  1  0.505123  0.705759  0.330368  1
  P  P282  1  0.838375  0.447656  0.380190  1
  P  P283  1  0.171790  0.705759  0.330368  1
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  P  P1080  1  0.909880  0.781557  0.711473  1
