# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   47.64840127
_cell_length_b   19.42849078
_cell_length_c   56.81182201
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.10770469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe216 P864'
_cell_volume   52586.4010555
_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  0.923343  0.534001  0.340139  1
  Fe  Fe2  1  0.251096  0.527786  0.304959  1
  Fe  Fe3  1  0.256676  0.200667  0.340139  1
  Fe  Fe4  1  0.593184  0.535652  0.377188  1
  Fe  Fe5  1  0.584430  0.194453  0.304959  1
  Fe  Fe6  1  0.590009  0.867334  0.340139  1
  Fe  Fe7  1  0.926517  0.202319  0.377188  1
  Fe  Fe8  1  0.917763  0.861120  0.304959  1
  Fe  Fe9  1  0.259851  0.868985  0.377188  1
  Fe  Fe10  1  0.746565  0.565802  0.296661  1
  Fe  Fe11  1  0.092218  0.580637  0.369841  1
  Fe  Fe12  1  0.079898  0.232469  0.296661  1
  Fe  Fe13  1  0.419004  0.575219  0.330527  1
  Fe  Fe14  1  0.425552  0.247303  0.369841  1
  Fe  Fe15  1  0.413232  0.899136  0.296661  1
  Fe  Fe16  1  0.752337  0.241885  0.330527  1
  Fe  Fe17  1  0.758885  0.913970  0.369841  1
  Fe  Fe18  1  0.085670  0.908552  0.330527  1
  Fe  Fe19  1  0.029929  0.744681  0.358105  1
  Fe  Fe20  1  0.359078  0.735911  0.319528  1
  Fe  Fe21  1  0.363262  0.411348  0.358105  1
  Fe  Fe22  1  0.682121  0.724033  0.292065  1
  Fe  Fe23  1  0.692412  0.402578  0.319528  1
  Fe  Fe24  1  0.696596  0.078014  0.358105  1
  Fe  Fe25  1  0.015454  0.390700  0.292065  1
  Fe  Fe26  1  0.025745  0.069245  0.319528  1
  Fe  Fe27  1  0.348788  0.057366  0.292065  1
  Fe  Fe28  1  0.855520  0.700485  0.329808  1
  Fe  Fe29  1  0.181277  0.695503  0.296531  1
  Fe  Fe30  1  0.188854  0.367152  0.329808  1
  Fe  Fe31  1  0.531186  0.701547  0.364703  1
  Fe  Fe32  1  0.514610  0.362170  0.296531  1
  Fe  Fe33  1  0.522187  0.033818  0.329808  1
  Fe  Fe34  1  0.864520  0.368213  0.364703  1
  Fe  Fe35  1  0.847944  0.028836  0.296531  1
  Fe  Fe36  1  0.197853  0.034880  0.364703  1
  Fe  Fe37  1  0.972354  0.626525  0.347015  1
  Fe  Fe38  1  0.299878  0.618538  0.311914  1
  Fe  Fe39  1  0.305687  0.293192  0.347015  1
  Fe  Fe40  1  0.630720  0.637057  0.285590  1
  Fe  Fe41  1  0.633212  0.285205  0.311914  1
  Fe  Fe42  1  0.639020  0.959858  0.347015  1
  Fe  Fe43  1  0.964053  0.303724  0.285590  1
  Fe  Fe44  1  0.966545  0.951871  0.311914  1
  Fe  Fe45  1  0.297386  0.970391  0.285590  1
  Fe  Fe46  1  0.810333  0.794313  0.346988  1
  Fe  Fe47  1  0.137947  0.789085  0.310714  1
  Fe  Fe48  1  0.143666  0.460980  0.346988  1
  Fe  Fe49  1  0.462203  0.801591  0.283293  1
  Fe  Fe50  1  0.471280  0.455751  0.310714  1
  Fe  Fe51  1  0.477000  0.127647  0.346988  1
  Fe  Fe52  1  0.795536  0.468258  0.283293  1
  Fe  Fe53  1  0.804613  0.122418  0.310714  1
  Fe  Fe54  1  0.128870  0.134924  0.283293  1
  Fe  Fe55  1  0.938665  0.551695  0.451390  1
  Fe  Fe56  1  0.266152  0.545308  0.414361  1
  Fe  Fe57  1  0.271998  0.218361  0.451390  1
  Fe  Fe58  1  0.611202  0.558527  0.489381  1
  Fe  Fe59  1  0.599485  0.211975  0.414361  1
  Fe  Fe60  1  0.605331  0.885028  0.451390  1
  Fe  Fe61  1  0.944536  0.225194  0.489381  1
  Fe  Fe62  1  0.932818  0.878641  0.414361  1
  Fe  Fe63  1  0.277869  0.891860  0.489381  1
  Fe  Fe64  1  0.766861  0.580246  0.406942  1
  Fe  Fe65  1  0.111986  0.594228  0.480244  1
  Fe  Fe66  1  0.100195  0.246912  0.406942  1
  Fe  Fe67  1  0.439178  0.586654  0.442552  1
  Fe  Fe68  1  0.445319  0.260895  0.480244  1
  Fe  Fe69  1  0.433528  0.913579  0.406942  1
  Fe  Fe70  1  0.772511  0.253321  0.442552  1
  Fe  Fe71  1  0.778652  0.927562  0.480244  1
  Fe  Fe72  1  0.105844  0.919987  0.442552  1
  Fe  Fe73  1  0.045247  0.758755  0.468579  1
  Fe  Fe74  1  0.372731  0.750868  0.430831  1
  Fe  Fe75  1  0.378581  0.425421  0.468579  1
  Fe  Fe76  1  0.700332  0.746170  0.396045  1
  Fe  Fe77  1  0.706064  0.417535  0.430831  1
  Fe  Fe78  1  0.711914  0.092088  0.468579  1
  Fe  Fe79  1  0.033666  0.412837  0.396045  1
  Fe  Fe80  1  0.039398  0.084201  0.430831  1
  Fe  Fe81  1  0.366999  0.079503  0.396045  1
  Fe  Fe82  1  0.876164  0.716343  0.439622  1
  Fe  Fe83  1  0.203198  0.709475  0.403128  1
  Fe  Fe84  1  0.209498  0.383010  0.439622  1
  Fe  Fe85  1  0.548912  0.723357  0.477603  1
  Fe  Fe86  1  0.536531  0.376142  0.403128  1
  Fe  Fe87  1  0.542831  0.049676  0.439622  1
  Fe  Fe88  1  0.882246  0.390024  0.477603  1
  Fe  Fe89  1  0.869864  0.042808  0.403128  1
  Fe  Fe90  1  0.215579  0.056691  0.477603  1
  Fe  Fe91  1  0.995072  0.667371  0.460799  1
  Fe  Fe92  1  0.322681  0.659084  0.423418  1
  Fe  Fe93  1  0.328405  0.334037  0.460799  1
  Fe  Fe94  1  0.649424  0.652012  0.386263  1
  Fe  Fe95  1  0.656014  0.325750  0.423418  1
  Fe  Fe96  1  0.661738  1.000704  0.460799  1
  Fe  Fe97  1  0.982758  0.318679  0.386263  1
  Fe  Fe98  1  0.989347  0.992417  0.423418  1
  Fe  Fe99  1  0.316091  0.985345  0.386263  1
  Fe  Fe100  1  0.824688  0.833606  0.461453  1
  Fe  Fe101  1  0.151920  0.825283  0.424269  1
  Fe  Fe102  1  0.158021  0.500273  0.461453  1
  Fe  Fe103  1  0.479668  0.817043  0.385856  1
  Fe  Fe104  1  0.485254  0.491950  0.424269  1
  Fe  Fe105  1  0.491355  0.166939  0.461453  1
  Fe  Fe106  1  0.813001  0.483710  0.385856  1
  Fe  Fe107  1  0.818587  0.158617  0.424269  1
  Fe  Fe108  1  0.146334  0.150377  0.385856  1
  Fe  Fe109  1  0.956538  0.572152  0.564041  1
  Fe  Fe110  1  0.284247  0.566555  0.527222  1
  Fe  Fe111  1  0.289871  0.238819  0.564041  1
  Fe  Fe112  1  0.629833  0.576314  0.600721  1
  Fe  Fe113  1  0.617580  0.233222  0.527222  1
  Fe  Fe114  1  0.623205  0.905486  0.564041  1
  Fe  Fe115  1  0.963167  0.242981  0.600721  1
  Fe  Fe116  1  0.950913  0.899889  0.527222  1
  Fe  Fe117  1  0.296500  0.909648  0.600721  1
  Fe  Fe118  1  0.784599  0.600456  0.517371  1
  Fe  Fe119  1  0.130117  0.614887  0.592985  1
  Fe  Fe120  1  0.117933  0.267122  0.517371  1
  Fe  Fe121  1  0.457272  0.607792  0.555325  1
  Fe  Fe122  1  0.463450  0.281553  0.592985  1
  Fe  Fe123  1  0.451266  0.933789  0.517371  1
  Fe  Fe124  1  0.790605  0.274459  0.555325  1
  Fe  Fe125  1  0.796783  0.948220  0.592985  1
  Fe  Fe126  1  0.123938  0.941125  0.555325  1
  Fe  Fe127  1  0.063851  0.778351  0.582087  1
  Fe  Fe128  1  0.390875  0.771857  0.543845  1
  Fe  Fe129  1  0.397184  0.445018  0.582087  1
  Fe  Fe130  1  0.718115  0.765732  0.506624  1
  Fe  Fe131  1  0.724208  0.438523  0.543845  1
  Fe  Fe132  1  0.730518  0.111684  0.582087  1
  Fe  Fe133  1  0.051449  0.432399  0.506624  1
  Fe  Fe134  1  0.057542  0.105190  0.543845  1
  Fe  Fe135  1  0.384782  0.099065  0.506624  1
  Fe  Fe136  1  0.894858  0.736401  0.552143  1
  Fe  Fe137  1  0.221597  0.730638  0.515448  1
  Fe  Fe138  1  0.228192  0.403067  0.552143  1
  Fe  Fe139  1  0.566497  0.745293  0.590231  1
  Fe  Fe140  1  0.554930  0.397305  0.515448  1
  Fe  Fe141  1  0.561525  0.069734  0.552143  1
  Fe  Fe142  1  0.899830  0.411960  0.590231  1
  Fe  Fe143  1  0.888264  0.063972  0.515448  1
  Fe  Fe144  1  0.233163  0.078626  0.590231  1
  Fe  Fe145  1  0.012851  0.686654  0.572677  1
  Fe  Fe146  1  0.340237  0.680032  0.535689  1
  Fe  Fe147  1  0.346184  0.353321  0.572677  1
  Fe  Fe148  1  0.667578  0.673252  0.498045  1
  Fe  Fe149  1  0.673570  0.346699  0.535689  1
  Fe  Fe150  1  0.679517  0.019987  0.572677  1
  Fe  Fe151  1  1.000912  0.339919  0.498045  1
  Fe  Fe152  1  0.006904  0.013366  0.535689  1
  Fe  Fe153  1  0.334245  0.006586  0.498045  1
  Fe  Fe154  1  0.842860  0.853110  0.572865  1
  Fe  Fe155  1  0.170168  0.846350  0.536266  1
  Fe  Fe156  1  0.176193  0.519777  0.572865  1
  Fe  Fe157  1  0.497364  0.838927  0.498028  1
  Fe  Fe158  1  0.503502  0.513017  0.536266  1
  Fe  Fe159  1  0.509527  0.186443  0.572865  1
  Fe  Fe160  1  0.830698  0.505594  0.498028  1
  Fe  Fe161  1  0.836835  0.179684  0.536266  1
  Fe  Fe162  1  0.164031  0.172261  0.498028  1
  Fe  Fe163  1  0.971981  0.588145  0.677651  1
  Fe  Fe164  1  0.301723  0.583092  0.640992  1
  Fe  Fe165  1  0.305314  0.254812  0.677651  1
  Fe  Fe166  1  0.650401  0.594961  0.701417  1
  Fe  Fe167  1  0.635056  0.249759  0.640992  1
  Fe  Fe168  1  0.638648  0.921479  0.677651  1
  Fe  Fe169  1  0.983734  0.261627  0.701417  1
  Fe  Fe170  1  0.968389  0.916425  0.640992  1
  Fe  Fe171  1  0.317068  0.928294  0.701417  1
  Fe  Fe172  1  0.803311  0.620476  0.630145  1
  Fe  Fe173  1  0.151220  0.628711  0.699471  1
  Fe  Fe174  1  0.136645  0.287142  0.630145  1
  Fe  Fe175  1  0.477279  0.629591  0.666855  1
  Fe  Fe176  1  0.484553  0.295378  0.699471  1
  Fe  Fe177  1  0.469978  0.953809  0.630145  1
  Fe  Fe178  1  0.810613  0.296257  0.666855  1
  Fe  Fe179  1  0.817887  0.962045  0.699471  1
  Fe  Fe180  1  0.143946  0.962924  0.666855  1
  Fe  Fe181  1  0.077106  0.795263  0.688676  1
  Fe  Fe182  1  0.408850  0.792950  0.656214  1
  Fe  Fe183  1  0.410439  0.461930  0.688676  1
  Fe  Fe184  1  0.736029  0.785086  0.619070  1
  Fe  Fe185  1  0.742183  0.459617  0.656214  1
  Fe  Fe186  1  0.743773  0.128597  0.688676  1
  Fe  Fe187  1  0.069362  0.451752  0.619070  1
  Fe  Fe188  1  0.075516  0.126284  0.656214  1
  Fe  Fe189  1  0.402696  0.118419  0.619070  1
  Fe  Fe190  1  0.909853  0.762525  0.666922  1
  Fe  Fe191  1  0.239767  0.750832  0.628185  1
  Fe  Fe192  1  0.243187  0.429192  0.666922  1
  Fe  Fe193  1  0.586475  0.763885  0.691341  1
  Fe  Fe194  1  0.573100  0.417499  0.628185  1
  Fe  Fe195  1  0.576520  0.095858  0.666922  1
  Fe  Fe196  1  0.919809  0.430552  0.691341  1
  Fe  Fe197  1  0.906433  0.084165  0.628185  1
  Fe  Fe198  1  0.253142  0.097218  0.691341  1
  Fe  Fe199  1  0.030972  0.703598  0.681872  1
  Fe  Fe200  1  0.359837  0.699207  0.648950  1
  Fe  Fe201  1  0.364306  0.370265  0.681872  1
  Fe  Fe202  1  0.686537  0.693215  0.610083  1
  Fe  Fe203  1  0.693170  0.365874  0.648950  1
  Fe  Fe204  1  0.697639  0.036931  0.681872  1
  Fe  Fe205  1  0.019870  0.359881  0.610083  1
  Fe  Fe206  1  0.026504  0.032540  0.648950  1
  Fe  Fe207  1  0.353203  0.026548  0.610083  1
  Fe  Fe208  1  0.861243  0.866354  0.680936  1
  Fe  Fe209  1  0.188882  0.866802  0.649965  1
  Fe  Fe210  1  0.194577  0.533020  0.680936  1
  Fe  Fe211  1  0.516115  0.857972  0.610949  1
  Fe  Fe212  1  0.522215  0.533469  0.649965  1
  Fe  Fe213  1  0.527910  0.199687  0.680936  1
  Fe  Fe214  1  0.849448  0.524639  0.610949  1
  Fe  Fe215  1  0.855549  0.200136  0.649965  1
  Fe  Fe216  1  0.182782  0.191305  0.610949  1
  P  P217  1  0.886098  0.499264  0.311609  1
  P  P218  1  0.214773  0.495721  0.275760  1
  P  P219  1  0.219432  0.165930  0.311609  1
  P  P220  1  0.558786  0.505548  0.347540  1
  P  P221  1  0.548106  0.162388  0.275760  1
  P  P222  1  0.552765  0.832597  0.311609  1
  P  P223  1  0.892120  0.172215  0.347540  1
  P  P224  1  0.881439  0.829054  0.275760  1
  P  P225  1  0.225453  0.838881  0.347540  1
  P  P226  1  0.723343  0.594425  0.332376  1
  P  P227  1  0.048149  0.584772  0.295801  1
  P  P228  1  0.056677  0.261092  0.332376  1
  P  P229  1  0.395232  0.604247  0.366798  1
  P  P230  1  0.381482  0.251439  0.295801  1
  P  P231  1  0.390010  0.927758  0.332376  1
  P  P232  1  0.728565  0.270914  0.366798  1
  P  P233  1  0.714815  0.918105  0.295801  1
  P  P234  1  0.061899  0.937580  0.366798  1
  P  P235  1  0.046878  0.746317  0.279385  1
  P  P236  1  0.391859  0.764216  0.348837  1
  P  P237  1  0.380212  0.412984  0.279385  1
  P  P238  1  0.719707  0.757281  0.314380  1
  P  P239  1  0.725193  0.430883  0.348837  1
  P  P240  1  0.713545  0.079651  0.279385  1
  P  P241  1  0.053040  0.423948  0.314380  1
  P  P242  1  0.058526  0.097550  0.348837  1
  P  P243  1  0.386373  0.090614  0.314380  1
  P  P244  1  0.880498  0.663338  0.293915  1
  P  P245  1  0.228295  0.676563  0.367687  1
  P  P246  1  0.213831  0.330004  0.293915  1
  P  P247  1  0.556306  0.668283  0.329011  1
  P  P248  1  0.561628  0.343230  0.367687  1
  P  P249  1  0.547165  0.996671  0.293915  1
  P  P250  1  0.889639  0.334950  0.329011  1
  P  P251  1  0.894962  0.009896  0.367687  1
  P  P252  1  0.222973  1.001617  0.329011  1
  P  P253  1  0.891862  0.627616  0.349114  1
  P  P254  1  0.218676  0.621881  0.312295  1
  P  P255  1  0.225195  0.294282  0.349114  1
  P  P256  1  0.549446  0.611322  0.274162  1
  P  P257  1  0.552010  0.288548  0.312295  1
  P  P258  1  0.558529  0.960949  0.349114  1
  P  P259  1  0.882779  0.277989  0.274162  1
  P  P260  1  0.885343  0.955215  0.312295  1
  P  P261  1  0.216112  0.944656  0.274162  1
  P  P262  1  0.061532  0.483628  0.367705  1
  P  P263  1  0.388746  0.479020  0.329146  1
  P  P264  1  0.394865  0.150295  0.367705  1
  P  P265  1  0.713380  0.478771  0.289508  1
  P  P266  1  0.722079  0.145686  0.329146  1
  P  P267  1  0.728198  0.816961  0.367705  1
  P  P268  1  0.046713  0.145438  0.289508  1
  P  P269  1  0.055413  0.812353  0.329146  1
  P  P270  1  0.380046  0.812105  0.289508  1
  P  P271  1  0.780166  0.551264  0.367149  1
  P  P272  1  0.107506  0.538697  0.329515  1
  P  P273  1  0.113500  0.217931  0.367149  1
  P  P274  1  0.436464  0.532504  0.290806  1
  P  P275  1  0.440840  0.205363  0.329515  1
  P  P276  1  0.446833  0.884598  0.367149  1
  P  P277  1  0.769798  0.199171  0.290806  1
  P  P278  1  0.774173  0.872030  0.329515  1
  P  P279  1  0.103131  0.865837  0.290806  1
  P  P280  1  0.947819  0.565675  0.376165  1
  P  P281  1  0.274925  0.557202  0.340080  1
  P  P282  1  0.281152  0.232342  0.376165  1
  P  P283  1  0.603952  0.552022  0.300806  1
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  P  P940  1  0.552196  0.785000  0.630660  1
  P  P941  1  0.558169  0.458473  0.668628  1
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  P  P944  1  0.891502  0.125140  0.668628  1
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  P  P946  1  0.057259  0.768718  0.654732  1
  P  P947  1  0.384797  0.761032  0.620310  1
  P  P948  1  0.390592  0.435385  0.654732  1
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  P  P952  1  0.067122  0.444601  0.693486  1
  P  P953  1  0.051464  0.094365  0.620310  1
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  P  P955  1  0.880641  0.833953  0.645339  1
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  P  P957  1  0.213974  0.500620  0.645339  1
  P  P958  1  0.556217  0.849814  0.685736  1
  P  P959  1  0.540842  0.492684  0.610616  1
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  P  P961  1  0.889550  0.516481  0.685736  1
  P  P962  1  0.874175  0.159350  0.610616  1
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  P  P964  1  0.040051  0.709074  0.606428  1
  P  P965  1  0.387283  0.725617  0.683964  1
  P  P966  1  0.373385  0.375741  0.606428  1
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  P  P969  1  0.706718  0.042407  0.606428  1
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  P  P1040  1  0.509593  0.390223  0.704864  1
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  P  P1079  1  0.777940  0.044005  0.689582  1
  P  P1080  1  0.107658  0.033845  0.647488  1
