# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   47.86881540
_cell_length_b   22.05988944
_cell_length_c   49.82469557
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.51237197
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe216 P864'
_cell_volume   52516.4774515
_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  0.493653  0.536064  0.334623  1
  Fe  Fe2  1  0.826987  0.202731  0.334623  1
  Fe  Fe3  1  0.821938  0.495740  0.375921  1
  Fe  Fe4  1  0.160320  0.869398  0.334623  1
  Fe  Fe5  1  0.155272  0.162406  0.375921  1
  Fe  Fe6  1  0.159648  0.587147  0.313367  1
  Fe  Fe7  1  0.488605  0.829073  0.375921  1
  Fe  Fe8  1  0.492981  0.253814  0.313367  1
  Fe  Fe9  1  0.826314  0.920480  0.313367  1
  Fe  Fe10  1  0.323029  0.461246  0.379260  1
  Fe  Fe11  1  0.656362  0.127912  0.379260  1
  Fe  Fe12  1  0.668612  0.550645  0.309031  1
  Fe  Fe13  1  0.989696  0.794579  0.379260  1
  Fe  Fe14  1  1.001945  0.217312  0.309031  1
  Fe  Fe15  1  0.995647  0.506424  0.342310  1
  Fe  Fe16  1  0.335278  0.883978  0.309031  1
  Fe  Fe17  1  0.328981  0.173091  0.342310  1
  Fe  Fe18  1  0.662314  0.839757  0.342310  1
  Fe  Fe19  1  0.599268  0.416296  0.286423  1
  Fe  Fe20  1  0.932601  0.082962  0.286423  1
  Fe  Fe21  1  0.933202  0.371007  0.316919  1
  Fe  Fe22  1  0.265935  0.749629  0.286423  1
  Fe  Fe23  1  0.266535  0.037674  0.316919  1
  Fe  Fe24  1  0.261466  0.327975  0.354268  1
  Fe  Fe25  1  0.599868  0.704340  0.316919  1
  Fe  Fe26  1  0.594799  0.994642  0.354268  1
  Fe  Fe27  1  0.928133  0.661308  0.354268  1
  Fe  Fe28  1  0.442113  0.399073  0.320686  1
  Fe  Fe29  1  0.775446  0.065740  0.320686  1
  Fe  Fe30  1  0.762185  0.357772  0.347923  1
  Fe  Fe31  1  0.108779  0.732406  0.320686  1
  Fe  Fe32  1  0.095518  0.024439  0.347923  1
  Fe  Fe33  1  0.110013  0.452947  0.289983  1
  Fe  Fe34  1  0.428852  0.691106  0.347923  1
  Fe  Fe35  1  0.443346  0.119613  0.289983  1
  Fe  Fe36  1  0.776679  0.786280  0.289983  1
  Fe  Fe37  1  0.548329  0.474247  0.312102  1
  Fe  Fe38  1  0.881662  0.140914  0.312102  1
  Fe  Fe39  1  0.881323  0.426665  0.342418  1
  Fe  Fe40  1  0.214996  0.807581  0.312102  1
  Fe  Fe41  1  0.214656  0.093332  0.342418  1
  Fe  Fe42  1  0.209578  0.382518  0.383079  1
  Fe  Fe43  1  0.547989  0.759999  0.342418  1
  Fe  Fe44  1  0.542912  0.049185  0.383079  1
  Fe  Fe45  1  0.876245  0.715852  0.383079  1
  Fe  Fe46  1  0.372431  0.215972  0.379992  1
  Fe  Fe47  1  0.705764  0.882638  0.379992  1
  Fe  Fe48  1  0.714868  0.312847  0.316245  1
  Fe  Fe49  1  0.039098  0.549305  0.379992  1
  Fe  Fe50  1  0.048201  0.979513  0.316245  1
  Fe  Fe51  1  0.044880  0.262194  0.342926  1
  Fe  Fe52  1  0.381535  0.646180  0.316245  1
  Fe  Fe53  1  0.378214  0.928861  0.342926  1
  Fe  Fe54  1  0.711547  0.595528  0.342926  1
  Fe  Fe55  1  0.478558  0.410742  0.452769  1
  Fe  Fe56  1  0.811891  0.077409  0.452769  1
  Fe  Fe57  1  0.807819  0.367072  0.487443  1
  Fe  Fe58  1  0.145225  0.744076  0.452769  1
  Fe  Fe59  1  0.141152  0.033738  0.487443  1
  Fe  Fe60  1  0.151015  0.451569  0.415963  1
  Fe  Fe61  1  0.474486  0.700405  0.487443  1
  Fe  Fe62  1  0.484348  0.118236  0.415963  1
  Fe  Fe63  1  0.817682  0.784902  0.415963  1
  Fe  Fe64  1  0.310403  0.328199  0.491230  1
  Fe  Fe65  1  0.643737  0.994866  0.491230  1
  Fe  Fe66  1  0.651953  0.417021  0.415442  1
  Fe  Fe67  1  0.977070  0.661533  0.491230  1
  Fe  Fe68  1  0.985286  0.083688  0.415442  1
  Fe  Fe69  1  0.981164  0.372834  0.452474  1
  Fe  Fe70  1  0.318619  0.750355  0.415442  1
  Fe  Fe71  1  0.314497  0.039501  0.452474  1
  Fe  Fe72  1  0.647830  0.706167  0.452474  1
  Fe  Fe73  1  0.590451  0.281401  0.390953  1
  Fe  Fe74  1  0.923784  0.948068  0.390953  1
  Fe  Fe75  1  0.919619  0.237185  0.426799  1
  Fe  Fe76  1  0.257117  0.614734  0.390953  1
  Fe  Fe77  1  0.252952  0.903852  0.426799  1
  Fe  Fe78  1  0.248743  0.193065  0.463894  1
  Fe  Fe79  1  0.586286  0.570519  0.426799  1
  Fe  Fe80  1  0.582077  0.859732  0.463894  1
  Fe  Fe81  1  0.915410  0.526398  0.463894  1
  Fe  Fe82  1  0.421440  0.272197  0.428669  1
  Fe  Fe83  1  0.754773  0.938864  0.428669  1
  Fe  Fe84  1  0.751305  0.230231  0.463992  1
  Fe  Fe85  1  0.088107  0.605531  0.428669  1
  Fe  Fe86  1  0.084638  0.896898  0.463992  1
  Fe  Fe87  1  0.092927  0.314990  0.388597  1
  Fe  Fe88  1  0.417972  0.563564  0.463992  1
  Fe  Fe89  1  0.426260  0.981657  0.388597  1
  Fe  Fe90  1  0.759593  0.648323  0.388597  1
  Fe  Fe91  1  0.538260  0.336631  0.420581  1
  Fe  Fe92  1  0.871594  0.003297  0.420581  1
  Fe  Fe93  1  0.866581  0.295192  0.454419  1
  Fe  Fe94  1  0.204927  0.669964  0.420581  1
  Fe  Fe95  1  0.199914  0.961859  0.454419  1
  Fe  Fe96  1  0.196228  0.250217  0.492503  1
  Fe  Fe97  1  0.533247  0.628526  0.454419  1
  Fe  Fe98  1  0.529561  0.916884  0.492503  1
  Fe  Fe99  1  0.862894  0.583550  0.492503  1
  Fe  Fe100  1  0.358654  0.083791  0.492073  1
  Fe  Fe101  1  0.691988  0.750457  0.492073  1
  Fe  Fe102  1  0.700903  0.172594  0.417584  1
  Fe  Fe103  1  0.025321  0.417124  0.492073  1
  Fe  Fe104  1  0.034236  0.839261  0.417584  1
  Fe  Fe105  1  0.029773  0.127732  0.454720  1
  Fe  Fe106  1  0.367569  0.505927  0.417584  1
  Fe  Fe107  1  0.363107  0.794399  0.454720  1
  Fe  Fe108  1  0.696440  0.461065  0.454720  1
  Fe  Fe109  1  0.465715  0.277819  0.564753  1
  Fe  Fe110  1  0.799049  0.944485  0.564753  1
  Fe  Fe111  1  0.794807  0.234494  0.600398  1
  Fe  Fe112  1  0.132382  0.611152  0.564753  1
  Fe  Fe113  1  0.128140  0.901161  0.600398  1
  Fe  Fe114  1  0.136609  0.322730  0.526741  1
  Fe  Fe115  1  0.461474  0.567827  0.600398  1
  Fe  Fe116  1  0.469943  0.989396  0.526741  1
  Fe  Fe117  1  0.803276  0.656063  0.526741  1
  Fe  Fe118  1  0.295307  0.195313  0.599902  1
  Fe  Fe119  1  0.628641  0.861980  0.599902  1
  Fe  Fe120  1  0.638847  0.284450  0.527944  1
  Fe  Fe121  1  0.961974  0.528647  0.599902  1
  Fe  Fe122  1  0.972180  0.951117  0.527944  1
  Fe  Fe123  1  0.967429  0.242666  0.562792  1
  Fe  Fe124  1  0.305513  0.617783  0.527944  1
  Fe  Fe125  1  0.300762  0.909333  0.562792  1
  Fe  Fe126  1  0.634095  0.575999  0.562792  1
  Fe  Fe127  1  0.577545  0.148140  0.503552  1
  Fe  Fe128  1  0.910879  0.814807  0.503552  1
  Fe  Fe129  1  0.906491  0.103957  0.539262  1
  Fe  Fe130  1  0.244212  0.481473  0.503552  1
  Fe  Fe131  1  0.239824  0.770623  0.539262  1
  Fe  Fe132  1  0.234913  0.062457  0.572732  1
  Fe  Fe133  1  0.573158  0.437290  0.539262  1
  Fe  Fe134  1  0.568247  0.729123  0.572732  1
  Fe  Fe135  1  0.901580  0.395790  0.572732  1
  Fe  Fe136  1  0.408310  0.141800  0.538633  1
  Fe  Fe137  1  0.741644  0.808467  0.538633  1
  Fe  Fe138  1  0.737642  0.097704  0.576170  1
  Fe  Fe139  1  0.074977  0.475133  0.538633  1
  Fe  Fe140  1  0.070976  0.764371  0.576170  1
  Fe  Fe141  1  0.079467  0.186691  0.499730  1
  Fe  Fe142  1  0.404309  0.431037  0.576170  1
  Fe  Fe143  1  0.412800  0.853358  0.499730  1
  Fe  Fe144  1  0.746134  0.520024  0.499730  1
  Fe  Fe145  1  0.525696  0.205714  0.531515  1
  Fe  Fe146  1  0.859029  0.872381  0.531515  1
  Fe  Fe147  1  0.854424  0.162957  0.565809  1
  Fe  Fe148  1  0.192363  0.539048  0.531515  1
  Fe  Fe149  1  0.187757  0.829623  0.565809  1
  Fe  Fe150  1  0.182361  0.119275  0.602303  1
  Fe  Fe151  1  0.521091  0.496290  0.565809  1
  Fe  Fe152  1  0.515694  0.785941  0.602303  1
  Fe  Fe153  1  0.849028  0.452608  0.602303  1
  Fe  Fe154  1  0.344498  0.952895  0.603736  1
  Fe  Fe155  1  0.677831  0.619562  0.603736  1
  Fe  Fe156  1  0.687804  0.039724  0.529279  1
  Fe  Fe157  1  0.011164  0.286228  0.603736  1
  Fe  Fe158  1  0.021138  0.706391  0.529279  1
  Fe  Fe159  1  0.016442  0.995735  0.567044  1
  Fe  Fe160  1  0.354471  0.373058  0.529279  1
  Fe  Fe161  1  0.349776  0.662402  0.567044  1
  Fe  Fe162  1  0.683109  0.329068  0.567044  1
  Fe  Fe163  1  0.454749  0.139221  0.672296  1
  Fe  Fe164  1  0.788083  0.805888  0.672296  1
  Fe  Fe165  1  0.786481  0.096411  0.701966  1
  Fe  Fe166  1  0.121416  0.472555  0.672296  1
  Fe  Fe167  1  0.119814  0.763078  0.701966  1
  Fe  Fe168  1  0.123746  0.191011  0.637756  1
  Fe  Fe169  1  0.453147  0.429745  0.701966  1
  Fe  Fe170  1  0.457080  0.857678  0.637756  1
  Fe  Fe171  1  0.790413  0.524345  0.637756  1
  Fe  Fe172  1  0.276916  0.060576  0.699508  1
  Fe  Fe173  1  0.610250  0.727243  0.699508  1
  Fe  Fe174  1  0.625504  0.153943  0.640764  1
  Fe  Fe175  1  0.943583  0.393909  0.699508  1
  Fe  Fe176  1  0.958837  0.820609  0.640764  1
  Fe  Fe177  1  0.953868  0.110086  0.676492  1
  Fe  Fe178  1  0.292170  0.487276  0.640764  1
  Fe  Fe179  1  0.287201  0.776752  0.676492  1
  Fe  Fe180  1  0.620534  0.443419  0.676492  1
  Fe  Fe181  1  0.566582  0.014424  0.611661  1
  Fe  Fe182  1  0.899915  0.681091  0.611661  1
  Fe  Fe183  1  0.893874  0.975909  0.654205  1
  Fe  Fe184  1  0.233248  0.347758  0.611661  1
  Fe  Fe185  1  0.227207  0.642576  0.654205  1
  Fe  Fe186  1  0.224378  0.935161  0.685776  1
  Fe  Fe187  1  0.560541  0.309242  0.654205  1
  Fe  Fe188  1  0.557712  0.601828  0.685776  1
  Fe  Fe189  1  0.891045  0.268494  0.685776  1
  Fe  Fe190  1  0.393623  0.009707  0.649400  1
  Fe  Fe191  1  0.726956  0.676374  0.649400  1
  Fe  Fe192  1  0.718303  0.960808  0.679262  1
  Fe  Fe193  1  0.060289  0.343041  0.649400  1
  Fe  Fe194  1  0.051637  0.627475  0.679262  1
  Fe  Fe195  1  0.066542  0.053303  0.612659  1
  Fe  Fe196  1  0.384970  0.294141  0.679262  1
  Fe  Fe197  1  0.399876  0.719970  0.612659  1
  Fe  Fe198  1  0.733209  0.386636  0.612659  1
  Fe  Fe199  1  0.506282  0.084441  0.646968  1
  Fe  Fe200  1  0.839616  0.751108  0.646968  1
  Fe  Fe201  1  0.838643  0.037324  0.680258  1
  Fe  Fe202  1  0.172949  0.417775  0.646968  1
  Fe  Fe203  1  0.171976  0.703990  0.680258  1
  Fe  Fe204  1  0.168529  0.992792  0.703705  1
  Fe  Fe205  1  0.505310  0.370657  0.680258  1
  Fe  Fe206  1  0.501862  0.659459  0.703705  1
  Fe  Fe207  1  0.835196  0.326126  0.703705  1
  Fe  Fe208  1  0.336461  0.819233  0.704065  1
  Fe  Fe209  1  0.669795  0.485899  0.704065  1
  Fe  Fe210  1  0.676424  0.915261  0.646146  1
  Fe  Fe211  1  1.003128  0.152566  0.704065  1
  Fe  Fe212  1  0.009758  0.581927  0.646146  1
  Fe  Fe213  1  0.005538  0.865819  0.673335  1
  Fe  Fe214  1  0.343091  0.248594  0.646146  1
  Fe  Fe215  1  0.338871  0.532486  0.673335  1
  Fe  Fe216  1  0.672205  0.199153  0.673335  1
  P  P217  1  0.459154  0.524907  0.372429  1
  P  P218  1  0.792488  0.191574  0.372429  1
  P  P219  1  0.801283  0.619174  0.303200  1
  P  P220  1  0.125821  0.858241  0.372429  1
  P  P221  1  0.134616  0.285841  0.303200  1
  P  P222  1  0.127709  0.569892  0.343276  1
  P  P223  1  0.467949  0.952507  0.303200  1
  P  P224  1  0.461043  0.236558  0.343276  1
  P  P225  1  0.794376  0.903225  0.343276  1
  P  P226  1  0.295899  0.485732  0.337439  1
  P  P227  1  0.629232  0.152399  0.337439  1
  P  P228  1  0.625129  0.441146  0.372613  1
  P  P229  1  0.962565  0.819066  0.337439  1
  P  P230  1  0.958463  0.107812  0.372613  1
  P  P231  1  0.968612  0.531956  0.301234  1
  P  P232  1  0.291796  0.774479  0.372613  1
  P  P233  1  0.301945  0.198623  0.301234  1
  P  P234  1  0.635279  0.865290  0.301234  1
  P  P235  1  0.626434  0.295924  0.354922  1
  P  P236  1  0.959768  0.962591  0.354922  1
  P  P237  1  0.969099  0.386422  0.282515  1
  P  P238  1  0.293101  0.629258  0.354922  1
  P  P239  1  0.302432  0.053088  0.282515  1
  P  P240  1  0.297898  0.343753  0.320203  1
  P  P241  1  0.635765  0.719755  0.282515  1
  P  P242  1  0.631231  0.010419  0.320203  1
  P  P243  1  0.964564  0.677086  0.320203  1
  P  P244  1  0.461703  0.380493  0.359693  1
  P  P245  1  0.795036  0.047160  0.359693  1
  P  P246  1  0.803189  0.475964  0.286675  1
  P  P247  1  0.128369  0.713826  0.359693  1
  P  P248  1  0.136522  0.142631  0.286675  1
  P  P249  1  0.135371  0.425219  0.324192  1
  P  P250  1  0.469856  0.809298  0.286675  1
  P  P251  1  0.468705  0.091885  0.324192  1
  P  P252  1  0.802038  0.758552  0.324192  1
  P  P253  1  0.465398  0.478216  0.304508  1
  P  P254  1  0.798732  0.144883  0.304508  1
  P  P255  1  0.795641  0.436219  0.345492  1
  P  P256  1  0.132065  0.811549  0.304508  1
  P  P257  1  0.128974  0.102885  0.345492  1
  P  P258  1  0.124559  0.395044  0.385062  1
  P  P259  1  0.462308  0.769552  0.345492  1
  P  P260  1  0.457893  0.061710  0.385062  1
  P  P261  1  0.791226  0.728377  0.385062  1
  P  P262  1  0.632203  0.615466  0.327482  1
  P  P263  1  0.965536  0.282133  0.327482  1
  P  P264  1  0.960028  0.569578  0.364319  1
  P  P265  1  0.298869  0.948800  0.327482  1
  P  P266  1  0.293362  0.236244  0.364319  1
  P  P267  1  0.299474  0.669863  0.284630  1
  P  P268  1  0.626695  0.902911  0.364319  1
  P  P269  1  0.632808  0.336530  0.284630  1
  P  P270  1  0.966141  0.003197  0.284630  1
  P  P271  1  0.347164  0.569423  0.311536  1
  P  P272  1  0.680497  0.236090  0.311536  1
  P  P273  1  0.679835  0.515610  0.349794  1
  P  P274  1  0.013831  0.902756  0.311536  1
  P  P275  1  0.013168  0.182276  0.349794  1
  P  P276  1  0.009284  0.471287  0.386258  1
  P  P277  1  0.346501  0.848943  0.349794  1
  P  P278  1  0.342617  0.137953  0.386258  1
  P  P279  1  0.675951  0.804620  0.386258  1
  P  P280  1  0.521669  0.559484  0.295505  1
  P  P281  1  0.855003  0.226151  0.295505  1
  P  P282  1  0.849381  0.519032  0.333745  1
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  P  P1080  1  0.588514  0.366792  0.684680  1
