# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.94283478
_cell_length_b   29.76306324
_cell_length_c   49.78972776
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.17097358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe216 P864'
_cell_volume   50457.0087278
_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  0.622810  0.409383  0.299178  1
  Fe  Fe2  1  0.114248  0.336973  0.328306  1
  Fe  Fe3  1  0.622810  0.076049  0.299178  1
  Fe  Fe4  1  0.114248  1.003640  0.328306  1
  Fe  Fe5  1  0.622810  0.742716  0.299178  1
  Fe  Fe6  1  0.114248  0.670306  0.328306  1
  Fe  Fe7  1  0.397685  0.412867  0.277224  1
  Fe  Fe8  1  0.875510  0.339705  0.312552  1
  Fe  Fe9  1  0.397685  0.079534  0.277224  1
  Fe  Fe10  1  0.875510  0.006372  0.312552  1
  Fe  Fe11  1  0.397685  0.746201  0.277224  1
  Fe  Fe12  1  0.875510  0.673039  0.312552  1
  Fe  Fe13  1  0.769079  0.154801  0.326194  1
  Fe  Fe14  1  0.283189  0.220635  0.292501  1
  Fe  Fe15  1  0.769079  0.821468  0.326194  1
  Fe  Fe16  1  0.283189  0.887301  0.292501  1
  Fe  Fe17  1  0.769079  0.488135  0.326194  1
  Fe  Fe18  1  0.283189  0.553968  0.292501  1
  Fe  Fe19  1  0.530133  0.210567  0.309742  1
  Fe  Fe20  1  0.057689  0.276779  0.282080  1
  Fe  Fe21  1  0.530133  0.877234  0.309742  1
  Fe  Fe22  1  0.057689  0.943446  0.282080  1
  Fe  Fe23  1  0.530133  0.543900  0.309742  1
  Fe  Fe24  1  0.057689  0.610112  0.282080  1
  Fe  Fe25  1  0.725006  0.335252  0.277208  1
  Fe  Fe26  1  0.201998  0.280802  0.311508  1
  Fe  Fe27  1  0.725006  1.001918  0.277208  1
  Fe  Fe28  1  0.201998  0.947469  0.311508  1
  Fe  Fe29  1  0.725006  0.668585  0.277208  1
  Fe  Fe30  1  0.201998  0.614135  0.311508  1
  Fe  Fe31  1  0.437001  0.080199  0.325949  1
  Fe  Fe32  1  0.964523  0.142761  0.295763  1
  Fe  Fe33  1  0.437001  0.746866  0.325949  1
  Fe  Fe34  1  0.964523  0.809428  0.295763  1
  Fe  Fe35  1  0.437001  0.413532  0.325949  1
  Fe  Fe36  1  0.964523  0.476094  0.295763  1
  Fe  Fe37  1  0.586660  0.272379  0.370386  1
  Fe  Fe38  1  0.065504  0.202562  0.408804  1
  Fe  Fe39  1  0.586660  0.939046  0.370386  1
  Fe  Fe40  1  0.065504  0.869229  0.408804  1
  Fe  Fe41  1  0.586660  0.605712  0.370386  1
  Fe  Fe42  1  0.065504  0.535895  0.408804  1
  Fe  Fe43  1  0.351801  0.278448  0.349624  1
  Fe  Fe44  1  0.831834  0.210568  0.385824  1
  Fe  Fe45  1  0.351801  0.945115  0.349624  1
  Fe  Fe46  1  0.831834  0.877235  0.385824  1
  Fe  Fe47  1  0.351801  0.611781  0.349624  1
  Fe  Fe48  1  0.831834  0.543902  0.385824  1
  Fe  Fe49  1  0.725526  0.014824  0.402323  1
  Fe  Fe50  1  0.247673  0.082896  0.364919  1
  Fe  Fe51  1  0.725526  0.681491  0.402323  1
  Fe  Fe52  1  0.247673  0.749563  0.364919  1
  Fe  Fe53  1  0.725526  0.348157  0.402323  1
  Fe  Fe54  1  0.247673  0.416229  0.364919  1
  Fe  Fe55  1  0.486270  0.074803  0.387897  1
  Fe  Fe56  1  0.007947  0.142573  0.344957  1
  Fe  Fe57  1  0.486270  0.741469  0.387897  1
  Fe  Fe58  1  0.007947  0.809240  0.344957  1
  Fe  Fe59  1  0.486270  0.408136  0.387897  1
  Fe  Fe60  1  0.007947  0.475907  0.344957  1
  Fe  Fe61  1  0.684031  0.208698  0.346263  1
  Fe  Fe62  1  0.163157  0.136245  0.385338  1
  Fe  Fe63  1  0.684031  0.875365  0.346263  1
  Fe  Fe64  1  0.163157  0.802911  0.385338  1
  Fe  Fe65  1  0.684031  0.542032  0.346263  1
  Fe  Fe66  1  0.163157  0.469578  0.385338  1
  Fe  Fe67  1  0.395267  0.939652  0.403368  1
  Fe  Fe68  1  0.919346  0.007928  0.362265  1
  Fe  Fe69  1  0.395267  0.606319  0.403368  1
  Fe  Fe70  1  0.919346  0.674594  0.362265  1
  Fe  Fe71  1  0.395267  0.272985  0.403368  1
  Fe  Fe72  1  0.919346  0.341261  0.362265  1
  Fe  Fe73  1  0.543802  0.135292  0.447243  1
  Fe  Fe74  1  0.022529  0.065826  0.485746  1
  Fe  Fe75  1  0.543802  0.801959  0.447243  1
  Fe  Fe76  1  0.022529  0.732492  0.485746  1
  Fe  Fe77  1  0.543802  0.468625  0.447243  1
  Fe  Fe78  1  0.022529  0.399159  0.485746  1
  Fe  Fe79  1  0.309529  0.140946  0.426494  1
  Fe  Fe80  1  0.788058  0.072574  0.463775  1
  Fe  Fe81  1  0.309529  0.807613  0.426494  1
  Fe  Fe82  1  0.788058  0.739241  0.463775  1
  Fe  Fe83  1  0.309529  0.474280  0.426494  1
  Fe  Fe84  1  0.788058  0.405907  0.463775  1
  Fe  Fe85  1  0.682567  0.877194  0.480164  1
  Fe  Fe86  1  0.204123  0.944666  0.442268  1
  Fe  Fe87  1  0.682567  0.543860  0.480164  1
  Fe  Fe88  1  0.204123  0.611333  0.442268  1
  Fe  Fe89  1  0.682567  0.210527  0.480164  1
  Fe  Fe90  1  0.204123  0.278000  0.442268  1
  Fe  Fe91  1  0.443981  0.936695  0.465425  1
  Fe  Fe92  1  0.965974  0.004534  0.426948  1
  Fe  Fe93  1  0.443981  0.603362  0.465425  1
  Fe  Fe94  1  0.965974  0.671201  0.426948  1
  Fe  Fe95  1  0.443981  0.270028  0.465425  1
  Fe  Fe96  1  0.965974  0.337867  0.426948  1
  Fe  Fe97  1  0.640507  0.069904  0.422356  1
  Fe  Fe98  1  0.119250  1.000155  0.461775  1
  Fe  Fe99  1  0.640507  0.736570  0.422356  1
  Fe  Fe100  1  0.119250  0.666821  0.461775  1
  Fe  Fe101  1  0.640507  0.403237  0.422356  1
  Fe  Fe102  1  0.119250  0.333488  0.461775  1
  Fe  Fe103  1  0.352941  0.801254  0.480194  1
  Fe  Fe104  1  0.874584  0.870536  0.440328  1
  Fe  Fe105  1  0.352941  0.467921  0.480194  1
  Fe  Fe106  1  0.874584  0.537202  0.440328  1
  Fe  Fe107  1  0.352941  0.134588  0.480194  1
  Fe  Fe108  1  0.874584  0.203869  0.440328  1
  Fe  Fe109  1  0.500950  0.997228  0.525074  1
  Fe  Fe110  1  0.979694  0.928297  0.563010  1
  Fe  Fe111  1  0.500950  0.663894  0.525074  1
  Fe  Fe112  1  0.979694  0.594963  0.563010  1
  Fe  Fe113  1  0.500950  0.330561  0.525074  1
  Fe  Fe114  1  0.979694  0.261630  0.563010  1
  Fe  Fe115  1  0.266335  1.002608  0.503854  1
  Fe  Fe116  1  0.744903  0.935130  0.541429  1
  Fe  Fe117  1  0.266335  0.669275  0.503854  1
  Fe  Fe118  1  0.744903  0.601797  0.541429  1
  Fe  Fe119  1  0.266335  0.335941  0.503854  1
  Fe  Fe120  1  0.744903  0.268463  0.541429  1
  Fe  Fe121  1  0.639659  0.739105  0.557504  1
  Fe  Fe122  1  0.160921  0.807314  0.519434  1
  Fe  Fe123  1  0.639659  0.405772  0.557504  1
  Fe  Fe124  1  0.160921  0.473981  0.519434  1
  Fe  Fe125  1  0.639659  0.072438  0.557504  1
  Fe  Fe126  1  0.160921  0.140648  0.519434  1
  Fe  Fe127  1  0.400805  0.798762  0.543452  1
  Fe  Fe128  1  0.922555  0.868210  0.503443  1
  Fe  Fe129  1  0.400805  0.465428  0.543452  1
  Fe  Fe130  1  0.922555  0.534877  0.503443  1
  Fe  Fe131  1  0.400805  0.132095  0.543452  1
  Fe  Fe132  1  0.922555  0.201544  0.503443  1
  Fe  Fe133  1  0.597844  0.931522  0.500528  1
  Fe  Fe134  1  0.076068  0.862154  0.539696  1
  Fe  Fe135  1  0.597844  0.598188  0.500528  1
  Fe  Fe136  1  0.076068  0.528821  0.539696  1
  Fe  Fe137  1  0.597844  0.264855  0.500528  1
  Fe  Fe138  1  0.076068  0.195487  0.539696  1
  Fe  Fe139  1  0.309745  0.664329  0.556800  1
  Fe  Fe140  1  0.831055  0.733488  0.517742  1
  Fe  Fe141  1  0.309745  0.330996  0.556800  1
  Fe  Fe142  1  0.831055  0.400155  0.517742  1
  Fe  Fe143  1  0.309745  0.997662  0.556800  1
  Fe  Fe144  1  0.831055  0.066821  0.517742  1
  Fe  Fe145  1  0.457799  0.858816  0.603126  1
  Fe  Fe146  1  0.935444  0.790276  0.640628  1
  Fe  Fe147  1  0.457799  0.525483  0.603126  1
  Fe  Fe148  1  0.935444  0.456942  0.640628  1
  Fe  Fe149  1  0.457799  0.192150  0.603126  1
  Fe  Fe150  1  0.935444  0.123609  0.640628  1
  Fe  Fe151  1  0.221943  0.865060  0.577216  1
  Fe  Fe152  1  0.703060  0.796758  0.619242  1
  Fe  Fe153  1  0.221943  0.531727  0.577216  1
  Fe  Fe154  1  0.703060  0.463425  0.619242  1
  Fe  Fe155  1  0.221943  0.198394  0.577216  1
  Fe  Fe156  1  0.703060  0.130091  0.619242  1
  Fe  Fe157  1  0.600640  0.598676  0.634049  1
  Fe  Fe158  1  0.118393  0.670233  0.596669  1
  Fe  Fe159  1  0.600640  0.265343  0.634049  1
  Fe  Fe160  1  0.118393  0.336899  0.596669  1
  Fe  Fe161  1  0.600640  0.932009  0.634049  1
  Fe  Fe162  1  0.118393  1.003566  0.596669  1
  Fe  Fe163  1  0.357147  0.659947  0.621508  1
  Fe  Fe164  1  0.879324  0.730270  0.580563  1
  Fe  Fe165  1  0.357147  0.326613  0.621508  1
  Fe  Fe166  1  0.879324  0.396936  0.580563  1
  Fe  Fe167  1  0.357147  0.993280  0.621508  1
  Fe  Fe168  1  0.879324  0.063603  0.580563  1
  Fe  Fe169  1  0.555450  0.794064  0.577142  1
  Fe  Fe170  1  0.033770  0.726093  0.615843  1
  Fe  Fe171  1  0.555450  0.460731  0.577142  1
  Fe  Fe172  1  0.033770  0.392760  0.615843  1
  Fe  Fe173  1  0.555450  0.127398  0.577142  1
  Fe  Fe174  1  0.033770  0.059427  0.615843  1
  Fe  Fe175  1  0.269279  0.526006  0.642522  1
  Fe  Fe176  1  0.788327  0.595597  0.595552  1
  Fe  Fe177  1  0.269279  0.192673  0.642522  1
  Fe  Fe178  1  0.788327  0.262264  0.595552  1
  Fe  Fe179  1  0.269279  0.859339  0.642522  1
  Fe  Fe180  1  0.788327  0.928930  0.595552  1
  Fe  Fe181  1  0.420085  0.715726  0.677095  1
  Fe  Fe182  1  0.904547  0.651624  0.710881  1
  Fe  Fe183  1  0.420085  0.382393  0.677095  1
  Fe  Fe184  1  0.904547  0.318291  0.710881  1
  Fe  Fe185  1  0.420085  0.049060  0.677095  1
  Fe  Fe186  1  0.904547  0.984957  0.710881  1
  Fe  Fe187  1  0.180694  0.725685  0.656706  1
  Fe  Fe188  1  0.653068  0.668032  0.688445  1
  Fe  Fe189  1  0.180694  0.392352  0.656706  1
  Fe  Fe190  1  0.653068  0.334699  0.688445  1
  Fe  Fe191  1  0.180694  0.059018  0.656706  1
  Fe  Fe192  1  0.653068  1.001366  0.688445  1
  Fe  Fe193  1  0.563135  0.460659  0.703229  1
  Fe  Fe194  1  0.073863  0.533313  0.674916  1
  Fe  Fe195  1  0.563135  0.127326  0.703229  1
  Fe  Fe196  1  0.073863  0.199980  0.674916  1
  Fe  Fe197  1  0.563135  0.793993  0.703229  1
  Fe  Fe198  1  0.073863  0.866646  0.674916  1
  Fe  Fe199  1  0.312101  0.530676  0.690985  1
  Fe  Fe200  1  0.835641  0.592550  0.656638  1
  Fe  Fe201  1  0.312101  0.197343  0.690985  1
  Fe  Fe202  1  0.835641  0.259216  0.656638  1
  Fe  Fe203  1  0.312101  0.864010  0.690985  1
  Fe  Fe204  1  0.835641  0.925883  0.656638  1
  Fe  Fe205  1  0.503418  0.662755  0.657577  1
  Fe  Fe206  1  0.985423  0.590337  0.692003  1
  Fe  Fe207  1  0.503418  0.329422  0.657577  1
  Fe  Fe208  1  0.985423  0.257004  0.692003  1
  Fe  Fe209  1  0.503418  0.996089  0.657577  1
  Fe  Fe210  1  0.985423  0.923670  0.692003  1
  Fe  Fe211  1  0.223351  0.387165  0.703960  1
  Fe  Fe212  1  0.747159  0.458177  0.673094  1
  Fe  Fe213  1  0.223351  0.053832  0.703960  1
  Fe  Fe214  1  0.747159  0.124844  0.673094  1
  Fe  Fe215  1  0.223351  0.720499  0.703960  1
  Fe  Fe216  1  0.747159  0.791511  0.673094  1
  P  P217  1  0.570639  0.399704  0.314124  1
  P  P218  1  0.093038  0.469576  0.276583  1
  P  P219  1  0.570639  0.066371  0.314124  1
  P  P220  1  0.093038  0.136242  0.276583  1
  P  P221  1  0.570639  0.733037  0.314124  1
  P  P222  1  0.093038  0.802909  0.276583  1
  P  P223  1  0.328477  0.324388  0.306956  1
  P  P224  1  0.807780  0.260456  0.343779  1
  P  P225  1  0.328477  0.991055  0.306956  1
  P  P226  1  0.807780  0.927122  0.343779  1
  P  P227  1  0.328477  0.657721  0.306956  1
  P  P228  1  0.807780  0.593789  0.343779  1
  P  P229  1  0.828907  0.162785  0.306438  1
  P  P230  1  0.305092  0.093333  0.342676  1
  P  P231  1  0.828907  0.829451  0.306438  1
  P  P232  1  0.305092  0.760000  0.342676  1
  P  P233  1  0.828907  0.496118  0.306438  1
  P  P234  1  0.305092  0.426667  0.342676  1
  P  P235  1  0.592163  0.301810  0.277986  1
  P  P236  1  0.077629  0.227910  0.316161  1
  P  P237  1  0.592163  0.968477  0.277986  1
  P  P238  1  0.077629  0.894577  0.316161  1
  P  P239  1  0.592163  0.635144  0.277986  1
  P  P240  1  0.077629  0.561243  0.316161  1
  P  P241  1  0.566605  0.256832  0.326524  1
  P  P242  1  0.093511  0.323102  0.282905  1
  P  P243  1  0.566605  0.923499  0.326524  1
  P  P244  1  0.093511  0.989769  0.282905  1
  P  P245  1  0.566605  0.590165  0.326524  1
  P  P246  1  0.093511  0.656436  0.282905  1
  P  P247  1  0.815714  0.399092  0.327939  1
  P  P248  1  0.334009  0.470827  0.286296  1
  P  P249  1  0.815714  0.065758  0.327939  1
  P  P250  1  0.334009  0.137494  0.286296  1
  P  P251  1  0.815714  0.732425  0.327939  1
  P  P252  1  0.334009  0.804160  0.286296  1
  P  P253  1  0.401353  0.363143  0.310271  1
  P  P254  1  0.927097  0.439554  0.269597  1
  P  P255  1  0.401353  0.029810  0.310271  1
  P  P256  1  0.927097  0.106220  0.269597  1
  P  P257  1  0.401353  0.696477  0.310271  1
  P  P258  1  0.927097  0.772887  0.269597  1
  P  P259  1  0.635240  0.295586  0.344237  1
  P  P260  1  0.159466  0.363461  0.302903  1
  P  P261  1  0.635240  0.962253  0.344237  1
  P  P262  1  0.159466  0.030127  0.302903  1
  P  P263  1  0.635240  0.628919  0.344237  1
  P  P264  1  0.159466  0.696794  0.302903  1
  P  P265  1  0.515299  0.263679  0.270008  1
  P  P266  1  0.999796  0.195336  0.304966  1
  P  P267  1  0.515299  0.930345  0.270008  1
  P  P268  1  0.999796  0.862003  0.304966  1
  P  P269  1  0.515299  0.597012  0.270008  1
  P  P270  1  0.999796  0.528670  0.304966  1
  P  P271  1  0.767454  0.259031  0.271966  1
  P  P272  1  0.241508  0.192152  0.310056  1
  P  P273  1  0.767454  0.925698  0.271966  1
  P  P274  1  0.241508  0.858819  0.310056  1
  P  P275  1  0.767454  0.592365  0.271966  1
  P  P276  1  0.241508  0.525486  0.310056  1
  P  P277  1  0.498982  0.166104  0.290705  1
  P  P278  1  0.978127  0.091562  0.330821  1
  P  P279  1  0.498982  0.832771  0.290705  1
  P  P280  1  0.978127  0.758229  0.330821  1
  P  P281  1  0.498982  0.499438  0.290705  1
  P  P282  1  0.978127  0.424896  0.330821  1
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  P  P961  1  0.352468  0.562659  0.716366  1
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  P  P968  1  0.120406  0.781454  0.678351  1
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  P  P1080  1  0.620132  0.949067  0.678195  1
