# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   48.76611164
_cell_length_b   20.75508339
_cell_length_c   52.16174544
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.07330978
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe216 P864'
_cell_volume   52513.0351573
_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  0.946762  0.739503  0.303764  1
  Fe  Fe2  1  0.288000  0.771083  0.338146  1
  Fe  Fe3  1  0.603317  0.711380  0.272805  1
  Fe  Fe4  1  0.621334  0.437749  0.338146  1
  Fe  Fe5  1  0.936650  0.378046  0.272805  1
  Fe  Fe6  1  0.954667  0.104416  0.338146  1
  Fe  Fe7  1  0.280095  0.406169  0.303764  1
  Fe  Fe8  1  0.613428  0.072836  0.303764  1
  Fe  Fe9  1  0.269983  0.044713  0.272805  1
  Fe  Fe10  1  0.770205  0.760378  0.280359  1
  Fe  Fe11  1  0.112852  0.779471  0.306605  1
  Fe  Fe12  1  0.457070  0.820832  0.344487  1
  Fe  Fe13  1  0.446185  0.446137  0.306605  1
  Fe  Fe14  1  0.790404  0.487498  0.344487  1
  Fe  Fe15  1  0.779519  0.112804  0.306605  1
  Fe  Fe16  1  0.103538  0.427044  0.280359  1
  Fe  Fe17  1  0.436872  0.093711  0.280359  1
  Fe  Fe18  1  0.123737  0.154165  0.344487  1
  Fe  Fe19  1  0.047708  0.938767  0.292602  1
  Fe  Fe20  1  0.388242  0.960085  0.320157  1
  Fe  Fe21  1  0.730237  0.996651  0.360165  1
  Fe  Fe22  1  0.721576  0.626752  0.320157  1
  Fe  Fe23  1  0.063570  0.663318  0.360165  1
  Fe  Fe24  1  0.054909  0.293418  0.320157  1
  Fe  Fe25  1  0.381041  0.605434  0.292602  1
  Fe  Fe26  1  0.714375  0.272101  0.292602  1
  Fe  Fe27  1  0.396903  0.329985  0.360165  1
  Fe  Fe28  1  0.871810  0.897378  0.285524  1
  Fe  Fe29  1  0.217786  0.921326  0.318162  1
  Fe  Fe30  1  0.562984  0.951448  0.352444  1
  Fe  Fe31  1  0.551120  0.587993  0.318162  1
  Fe  Fe32  1  0.896317  0.618114  0.352444  1
  Fe  Fe33  1  0.884453  0.254659  0.318162  1
  Fe  Fe34  1  0.205143  0.564045  0.285524  1
  Fe  Fe35  1  0.538477  0.230712  0.285524  1
  Fe  Fe36  1  0.229651  0.284781  0.352444  1
  Fe  Fe37  1  0.992258  0.818433  0.297676  1
  Fe  Fe38  1  0.340657  0.875835  0.328626  1
  Fe  Fe39  1  0.683027  0.910681  0.368284  1
  Fe  Fe40  1  0.673990  0.542501  0.328626  1
  Fe  Fe41  1  0.016360  0.577348  0.368284  1
  Fe  Fe42  1  0.007324  0.209168  0.328626  1
  Fe  Fe43  1  0.325591  0.485100  0.297676  1
  Fe  Fe44  1  0.658924  0.151766  0.297676  1
  Fe  Fe45  1  0.349693  0.244015  0.368284  1
  Fe  Fe46  1  0.827478  1.001011  0.296616  1
  Fe  Fe47  1  0.173591  0.024825  0.330346  1
  Fe  Fe48  1  0.513364  0.075802  0.367834  1
  Fe  Fe49  1  0.506924  0.691492  0.330346  1
  Fe  Fe50  1  0.846697  0.742468  0.367834  1
  Fe  Fe51  1  0.840258  0.358159  0.330346  1
  Fe  Fe52  1  0.160811  0.667677  0.296616  1
  Fe  Fe53  1  0.494145  0.334344  0.296616  1
  Fe  Fe54  1  0.180031  0.409135  0.367834  1
  Fe  Fe55  1  0.974457  0.842369  0.413477  1
  Fe  Fe56  1  0.318169  0.878278  0.451799  1
  Fe  Fe57  1  0.631444  0.807128  0.376772  1
  Fe  Fe58  1  0.651502  0.544945  0.451799  1
  Fe  Fe59  1  0.964777  0.473795  0.376772  1
  Fe  Fe60  1  0.984835  0.211612  0.451799  1
  Fe  Fe61  1  0.307790  0.509035  0.413477  1
  Fe  Fe62  1  0.641124  0.175702  0.413477  1
  Fe  Fe63  1  0.298110  0.140461  0.376772  1
  Fe  Fe64  1  0.801160  0.848170  0.381784  1
  Fe  Fe65  1  0.144566  0.886336  0.419769  1
  Fe  Fe66  1  0.487976  0.920342  0.456613  1
  Fe  Fe67  1  0.477899  0.553002  0.419769  1
  Fe  Fe68  1  0.821309  0.587008  0.456613  1
  Fe  Fe69  1  0.811233  0.219669  0.419769  1
  Fe  Fe70  1  0.134493  0.514837  0.381784  1
  Fe  Fe71  1  0.467827  0.181503  0.381784  1
  Fe  Fe72  1  0.154642  0.253675  0.456613  1
  Fe  Fe73  1  0.073854  0.030756  0.396762  1
  Fe  Fe74  1  0.417170  0.065180  0.433797  1
  Fe  Fe75  1  0.760711  0.101096  0.471907  1
  Fe  Fe76  1  0.750504  0.731847  0.433797  1
  Fe  Fe77  1  0.094045  0.767763  0.471907  1
  Fe  Fe78  1  0.083837  0.398513  0.433797  1
  Fe  Fe79  1  0.407187  0.697422  0.396762  1
  Fe  Fe80  1  0.740521  0.364089  0.396762  1
  Fe  Fe81  1  0.427378  0.434430  0.471907  1
  Fe  Fe82  1  0.907832  0.986449  0.390333  1
  Fe  Fe83  1  0.250817  0.020768  0.427261  1
  Fe  Fe84  1  0.593918  0.058978  0.465646  1
  Fe  Fe85  1  0.584151  0.687435  0.427261  1
  Fe  Fe86  1  0.927251  0.725644  0.465646  1
  Fe  Fe87  1  0.917484  0.354102  0.427261  1
  Fe  Fe88  1  0.241165  0.653115  0.390333  1
  Fe  Fe89  1  0.574498  0.319782  0.390333  1
  Fe  Fe90  1  0.260584  0.392311  0.465646  1
  Fe  Fe91  1  0.026636  0.947294  0.404836  1
  Fe  Fe92  1  0.369953  0.980857  0.441646  1
  Fe  Fe93  1  0.713596  0.016729  0.478916  1
  Fe  Fe94  1  0.703287  0.647523  0.441646  1
  Fe  Fe95  1  0.046929  0.683396  0.478916  1
  Fe  Fe96  1  0.036620  0.314190  0.441646  1
  Fe  Fe97  1  0.359970  0.613961  0.404836  1
  Fe  Fe98  1  0.693303  0.280627  0.404836  1
  Fe  Fe99  1  0.380263  0.350062  0.478916  1
  Fe  Fe100  1  0.856663  0.114644  0.406323  1
  Fe  Fe101  1  0.199910  0.149139  0.442727  1
  Fe  Fe102  1  0.543911  0.182007  0.480208  1
  Fe  Fe103  1  0.533243  0.815805  0.442727  1
  Fe  Fe104  1  0.877244  0.848674  0.480208  1
  Fe  Fe105  1  0.866576  0.482472  0.442727  1
  Fe  Fe106  1  0.189996  0.781311  0.406323  1
  Fe  Fe107  1  0.523330  0.447977  0.406323  1
  Fe  Fe108  1  0.210577  0.515341  0.480208  1
  Fe  Fe109  1  1.004860  0.947340  0.526313  1
  Fe  Fe110  1  0.348605  0.983418  0.564185  1
  Fe  Fe111  1  0.661283  0.911359  0.488461  1
  Fe  Fe112  1  0.681938  0.650085  0.564185  1
  Fe  Fe113  1  0.994616  0.578025  0.488461  1
  Fe  Fe114  1  0.015271  0.316752  0.564185  1
  Fe  Fe115  1  0.338193  0.614007  0.526313  1
  Fe  Fe116  1  0.671527  0.280674  0.526313  1
  Fe  Fe117  1  0.327950  0.244692  0.488461  1
  Fe  Fe118  1  0.831529  0.954867  0.494240  1
  Fe  Fe119  1  0.174744  0.992751  0.531737  1
  Fe  Fe120  1  0.518498  0.027213  0.569945  1
  Fe  Fe121  1  0.508077  0.659417  0.531737  1
  Fe  Fe122  1  0.851832  0.693880  0.569945  1
  Fe  Fe123  1  0.841410  0.326084  0.531737  1
  Fe  Fe124  1  0.164863  0.621533  0.494240  1
  Fe  Fe125  1  0.498196  0.288200  0.494240  1
  Fe  Fe126  1  0.185165  0.360547  0.569945  1
  Fe  Fe127  1  0.103920  0.137186  0.509344  1
  Fe  Fe128  1  0.447585  0.171322  0.547320  1
  Fe  Fe129  1  0.791046  0.207044  0.584097  1
  Fe  Fe130  1  0.780919  0.837989  0.547320  1
  Fe  Fe131  1  0.124379  0.873711  0.584097  1
  Fe  Fe132  1  0.114252  0.504655  0.547320  1
  Fe  Fe133  1  0.437254  0.803853  0.509344  1
  Fe  Fe134  1  0.770587  0.470519  0.509344  1
  Fe  Fe135  1  0.457713  0.540378  0.584097  1
  Fe  Fe136  1  0.937870  0.094535  0.503205  1
  Fe  Fe137  1  0.281580  0.127660  0.540226  1
  Fe  Fe138  1  0.624245  0.158863  0.575803  1
  Fe  Fe139  1  0.614914  0.794327  0.540226  1
  Fe  Fe140  1  0.957578  0.825530  0.575803  1
  Fe  Fe141  1  0.948247  0.460993  0.540226  1
  Fe  Fe142  1  0.271203  0.761202  0.503205  1
  Fe  Fe143  1  0.604537  0.427869  0.503205  1
  Fe  Fe144  1  0.290912  0.492197  0.575803  1
  Fe  Fe145  1  0.056924  0.053886  0.516498  1
  Fe  Fe146  1  0.400170  0.087519  0.554173  1
  Fe  Fe147  1  0.743609  0.120656  0.590185  1
  Fe  Fe148  1  0.733504  0.754185  0.554173  1
  Fe  Fe149  1  0.076942  0.787322  0.590185  1
  Fe  Fe150  1  0.066837  0.420852  0.554173  1
  Fe  Fe151  1  0.390257  0.720553  0.516498  1
  Fe  Fe152  1  0.723590  0.387220  0.516498  1
  Fe  Fe153  1  0.410275  0.453989  0.590185  1
  Fe  Fe154  1  0.887367  0.219163  0.517436  1
  Fe  Fe155  1  0.230174  0.254052  0.554746  1
  Fe  Fe156  1  0.574121  0.294674  0.592652  1
  Fe  Fe157  1  0.563508  0.920719  0.554746  1
  Fe  Fe158  1  0.907455  0.961341  0.592652  1
  Fe  Fe159  1  0.896841  0.587385  0.554746  1
  Fe  Fe160  1  0.220700  0.885829  0.517436  1
  Fe  Fe161  1  0.554033  0.552496  0.517436  1
  Fe  Fe162  1  0.240788  0.628007  0.592652  1
  Fe  Fe163  1  0.032022  0.049903  0.641318  1
  Fe  Fe164  1  0.376118  0.080200  0.667356  1
  Fe  Fe165  1  0.691633  0.016148  0.600898  1
  Fe  Fe166  1  0.709451  0.746867  0.667356  1
  Fe  Fe167  1  0.024966  0.682815  0.600898  1
  Fe  Fe168  1  0.042785  0.413534  0.667356  1
  Fe  Fe169  1  0.365355  0.716570  0.641318  1
  Fe  Fe170  1  0.698688  0.383236  0.641318  1
  Fe  Fe171  1  0.358300  0.349481  0.600898  1
  Fe  Fe172  1  0.862157  0.066317  0.606364  1
  Fe  Fe173  1  0.205943  0.099385  0.643179  1
  Fe  Fe174  1  0.552272  0.133122  0.674678  1
  Fe  Fe175  1  0.539277  0.766051  0.643179  1
  Fe  Fe176  1  0.885606  0.799789  0.674678  1
  Fe  Fe177  1  0.872610  0.432718  0.643179  1
  Fe  Fe178  1  0.195490  0.732983  0.606364  1
  Fe  Fe179  1  0.528823  0.399650  0.606364  1
  Fe  Fe180  1  0.218939  0.466456  0.674678  1
  Fe  Fe181  1  0.134237  0.242819  0.623817  1
  Fe  Fe182  1  0.477129  0.284397  0.656601  1
  Fe  Fe183  1  0.817116  0.303250  0.689642  1
  Fe  Fe184  1  0.810462  0.951063  0.656601  1
  Fe  Fe185  1  0.150450  0.969917  0.689642  1
  Fe  Fe186  1  0.143796  0.617730  0.656601  1
  Fe  Fe187  1  0.467570  0.909486  0.623817  1
  Fe  Fe188  1  0.800904  0.576152  0.623817  1
  Fe  Fe189  1  0.483783  0.636584  0.689642  1
  Fe  Fe190  1  0.967764  0.195921  0.613182  1
  Fe  Fe191  1  0.314508  0.230269  0.653966  1
  Fe  Fe192  1  0.651970  0.269474  0.678606  1
  Fe  Fe193  1  0.647841  0.896935  0.653966  1
  Fe  Fe194  1  0.985304  0.936140  0.678606  1
  Fe  Fe195  1  0.981175  0.563602  0.653966  1
  Fe  Fe196  1  0.301097  0.862588  0.613182  1
  Fe  Fe197  1  0.634431  0.529255  0.613182  1
  Fe  Fe198  1  0.318637  0.602807  0.678606  1
  Fe  Fe199  1  0.087100  0.157446  0.629845  1
  Fe  Fe200  1  0.431773  0.202793  0.662449  1
  Fe  Fe201  1  0.777544  0.214360  0.692065  1
  Fe  Fe202  1  0.765106  0.869459  0.662449  1
  Fe  Fe203  1  0.110877  0.881027  0.692065  1
  Fe  Fe204  1  0.098440  0.536126  0.662449  1
  Fe  Fe205  1  0.420433  0.824113  0.629845  1
  Fe  Fe206  1  0.753767  0.490779  0.629845  1
  Fe  Fe207  1  0.444211  0.547694  0.692065  1
  Fe  Fe208  1  0.916568  0.325677  0.631440  1
  Fe  Fe209  1  0.261532  0.363742  0.664123  1
  Fe  Fe210  1  0.608393  0.375016  0.692896  1
  Fe  Fe211  1  0.594865  0.030408  0.664123  1
  Fe  Fe212  1  0.941726  0.041683  0.692896  1
  Fe  Fe213  1  0.928199  0.697075  0.664123  1
  Fe  Fe214  1  0.249901  0.992344  0.631440  1
  Fe  Fe215  1  0.583234  0.659010  0.631440  1
  Fe  Fe216  1  0.275060  0.708349  0.692896  1
  P  P217  1  0.909405  0.688544  0.281392  1
  P  P218  1  0.250644  0.721790  0.317458  1
  P  P219  1  0.594899  0.759411  0.354272  1
  P  P220  1  0.583977  0.388457  0.317458  1
  P  P221  1  0.928232  0.426077  0.354272  1
  P  P222  1  0.917310  0.055123  0.317458  1
  P  P223  1  0.242738  0.355211  0.281392  1
  P  P224  1  0.576071  0.021877  0.281392  1
  P  P225  1  0.261565  0.092744  0.354272  1
  P  P226  1  0.745962  0.810432  0.310846  1
  P  P227  1  0.092097  0.842537  0.344574  1
  P  P228  1  0.406303  0.769802  0.273950  1
  P  P229  1  0.425430  0.509203  0.344574  1
  P  P230  1  0.739637  0.436469  0.273950  1
  P  P231  1  0.758763  0.175870  0.344574  1
  P  P232  1  0.079295  0.477099  0.310846  1
  P  P233  1  0.412629  0.143765  0.310846  1
  P  P234  1  0.072970  0.103135  0.273950  1
  P  P235  1  0.083361  0.975709  0.311482  1
  P  P236  1  0.425765  1.009092  0.343817  1
  P  P237  1  0.738760  0.938911  0.274551  1
  P  P238  1  0.759098  0.675758  0.343817  1
  P  P239  1  0.072094  0.605577  0.274551  1
  P  P240  1  0.092432  0.342425  0.343817  1
  P  P241  1  0.416694  0.642375  0.311482  1
  P  P242  1  0.750027  0.309042  0.311482  1
  P  P243  1  0.405427  0.272244  0.274551  1
  P  P244  1  0.928605  0.926241  0.354538  1
  P  P245  1  0.239912  0.856351  0.282161  1
  P  P246  1  0.583979  0.887261  0.316925  1
  P  P247  1  0.573245  0.523018  0.282161  1
  P  P248  1  0.917312  0.553928  0.316925  1
  P  P249  1  0.906578  0.189684  0.282161  1
  P  P250  1  0.261938  0.592908  0.354538  1
  P  P251  1  0.595271  0.259575  0.354538  1
  P  P252  1  0.250646  0.220595  0.316925  1
  P  P253  1  0.913602  0.834763  0.303535  1
  P  P254  1  0.258738  0.870572  0.341564  1
  P  P255  1  0.570714  0.789258  0.262338  1
  P  P256  1  0.592071  0.537238  0.341564  1
  P  P257  1  0.904047  0.455925  0.262338  1
  P  P258  1  0.925405  0.203905  0.341564  1
  P  P259  1  0.246935  0.501430  0.303535  1
  P  P260  1  0.580269  0.168096  0.303535  1
  P  P261  1  0.237380  0.122591  0.262338  1
  P  P262  1  0.084114  0.703087  0.319580  1
  P  P263  1  0.429078  0.737650  0.357497  1
  P  P264  1  0.742632  0.668492  0.279601  1
  P  P265  1  0.762412  0.404317  0.357497  1
  P  P266  1  0.075966  0.335159  0.279601  1
  P  P267  1  0.095745  0.070984  0.357497  1
  P  P268  1  0.417448  0.369753  0.319580  1
  P  P269  1  0.750781  0.036420  0.319580  1
  P  P270  1  0.409299  1.001826  0.279601  1
  P  P271  1  0.809661  0.786512  0.342207  1
  P  P272  1  0.124882  0.713562  0.268284  1
  P  P273  1  0.467949  0.747871  0.305893  1
  P  P274  1  0.458216  0.380229  0.268284  1
  P  P275  1  0.801283  0.414537  0.305893  1
  P  P276  1  0.791549  0.046896  0.268284  1
  P  P277  1  0.142994  0.453179  0.342207  1
  P  P278  1  0.476328  0.119846  0.342207  1
  P  P279  1  0.134616  0.081204  0.305893  1
  P  P280  1  0.972720  0.795403  0.334893  1
  P  P281  1  0.282112  0.723687  0.263499  1
  P  P282  1  0.631659  0.764585  0.295539  1
  P  P283  1  0.615445  0.390354  0.263499  1
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  P  P941  1  0.945328  0.894206  0.615007  1
  P  P942  1  0.965611  0.640727  0.690605  1
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  P  P947  1  0.451213  0.228150  0.625692  1
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  P  P959  1  0.955859  0.998845  0.655968  1
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  P  P961  1  0.303247  0.029564  0.699620  1
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  P  P965  1  0.461120  0.244468  0.695700  1
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  P  P1079  1  0.520146  0.565540  0.698119  1
  P  P1080  1  0.177598  0.524222  0.655544  1
