# generated using pymatgen
data_Fe3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19423566
_cell_length_b   16.06353357
_cell_length_c   52.97717617
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3P
_chemical_formula_sum   'Fe216 P72'
_cell_volume   7824.3005012
_cell_formula_units_Z   72
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  0.963841  0.354762  0.423713  1
  Fe  Fe2  1  0.963681  0.906497  0.328863  1
  Fe  Fe3  1  0.963839  0.130884  0.375978  1
  Fe  Fe4  1  0.860587  0.302940  0.375403  1
  Fe  Fe5  1  0.861108  0.526909  0.422708  1
  Fe  Fe6  1  0.862536  0.076445  0.326808  1
  Fe  Fe7  1  0.141904  0.278750  0.385491  1
  Fe  Fe8  1  0.159185  0.833292  0.291153  1
  Fe  Fe9  1  0.139202  0.057408  0.337137  1
  Fe  Fe10  1  0.037870  0.447175  0.383904  1
  Fe  Fe11  1  0.040297  0.990731  0.290416  1
  Fe  Fe12  1  0.039077  0.221002  0.335382  1
  Fe  Fe13  1  0.281789  0.290722  0.344260  1
  Fe  Fe14  1  0.283125  0.513382  0.392657  1
  Fe  Fe15  1  0.298297  0.066719  0.297648  1
  Fe  Fe16  1  0.165879  0.139634  0.408180  1
  Fe  Fe17  1  0.167303  0.693311  0.311948  1
  Fe  Fe18  1  0.164680  0.915806  0.360457  1
  Fe  Fe19  1  0.832864  0.321645  0.328613  1
  Fe  Fe20  1  0.835481  0.549602  0.375524  1
  Fe  Fe21  1  0.836364  0.772412  0.422647  1
  Fe  Fe22  1  0.718700  0.181536  0.392244  1
  Fe  Fe23  1  0.715600  0.733573  0.297529  1
  Fe  Fe24  1  0.719758  0.956964  0.343671  1
  Fe  Fe25  1  0.601333  0.316368  0.402083  1
  Fe  Fe26  1  0.587197  0.869937  0.307488  1
  Fe  Fe27  1  0.602239  0.092364  0.354046  1
  Fe  Fe28  1  0.926841  0.483468  0.336407  1
  Fe  Fe29  1  0.923536  0.705674  0.383121  1
  Fe  Fe30  1  0.923833  0.261210  0.288594  1
  Fe  Fe31  1  0.082331  0.548875  0.307132  1
  Fe  Fe32  1  0.076006  0.771045  0.353985  1
  Fe  Fe33  1  0.077699  0.994969  0.402419  1
  Fe  Fe34  1  0.400633  0.366147  0.379621  1
  Fe  Fe35  1  0.400427  0.590915  0.427695  1
  Fe  Fe36  1  0.397393  0.146232  0.333153  1
  Fe  Fe37  1  0.463681  0.406497  0.328863  1
  Fe  Fe38  1  0.463839  0.630884  0.375978  1
  Fe  Fe39  1  0.463841  0.854762  0.423713  1
  Fe  Fe40  1  0.361108  0.026909  0.422708  1
  Fe  Fe41  1  0.362536  0.576445  0.326808  1
  Fe  Fe42  1  0.360587  0.802940  0.375403  1
  Fe  Fe43  1  0.659185  0.333292  0.291153  1
  Fe  Fe44  1  0.639202  0.557408  0.337137  1
  Fe  Fe45  1  0.641904  0.778750  0.385491  1
  Fe  Fe46  1  0.540297  0.490731  0.290416  1
  Fe  Fe47  1  0.539077  0.721002  0.335382  1
  Fe  Fe48  1  0.537870  0.947175  0.383904  1
  Fe  Fe49  1  0.798297  0.566719  0.297648  1
  Fe  Fe50  1  0.781789  0.790722  0.344260  1
  Fe  Fe51  1  0.783125  0.013382  0.392657  1
  Fe  Fe52  1  0.664680  0.415806  0.360457  1
  Fe  Fe53  1  0.665879  0.639634  0.408180  1
  Fe  Fe54  1  0.667303  0.193311  0.311948  1
  Fe  Fe55  1  0.336364  0.272412  0.422647  1
  Fe  Fe56  1  0.332864  0.821645  0.328613  1
  Fe  Fe57  1  0.335481  0.049602  0.375524  1
  Fe  Fe58  1  0.219758  0.456964  0.343671  1
  Fe  Fe59  1  0.218700  0.681536  0.392244  1
  Fe  Fe60  1  0.215600  0.233573  0.297529  1
  Fe  Fe61  1  0.087197  0.369937  0.307488  1
  Fe  Fe62  1  0.102239  0.592364  0.354046  1
  Fe  Fe63  1  0.101333  0.816368  0.402083  1
  Fe  Fe64  1  0.423536  0.205674  0.383121  1
  Fe  Fe65  1  0.423833  0.761210  0.288594  1
  Fe  Fe66  1  0.426841  0.983468  0.336407  1
  Fe  Fe67  1  0.576006  0.271045  0.353985  1
  Fe  Fe68  1  0.577699  0.494969  0.402419  1
  Fe  Fe69  1  0.582331  0.048875  0.307132  1
  Fe  Fe70  1  0.900427  0.090915  0.427695  1
  Fe  Fe71  1  0.897393  0.646232  0.333153  1
  Fe  Fe72  1  0.900633  0.866147  0.379621  1
  Fe  Fe73  1  0.963937  0.025968  0.566513  1
  Fe  Fe74  1  0.963695  0.578482  0.471245  1
  Fe  Fe75  1  0.963645  0.802217  0.518841  1
  Fe  Fe76  1  0.860879  0.974516  0.517816  1
  Fe  Fe77  1  0.860692  0.198329  0.565442  1
  Fe  Fe78  1  0.860880  0.750806  0.470180  1
  Fe  Fe79  1  0.141065  0.950100  0.528428  1
  Fe  Fe80  1  0.140978  0.502530  0.433232  1
  Fe  Fe81  1  0.140971  0.726339  0.480811  1
  Fe  Fe82  1  0.038217  0.117839  0.526482  1
  Fe  Fe83  1  0.038309  0.670295  0.431230  1
  Fe  Fe84  1  0.038338  0.894044  0.478841  1
  Fe  Fe85  1  0.283187  0.961189  0.487847  1
  Fe  Fe86  1  0.283183  0.184932  0.535430  1
  Fe  Fe87  1  0.283183  0.737497  0.440257  1
  Fe  Fe88  1  0.165756  0.810856  0.550963  1
  Fe  Fe89  1  0.166044  0.363368  0.455670  1
  Fe  Fe90  1  0.165790  0.587077  0.503332  1
  Fe  Fe91  1  0.836214  0.996183  0.470321  1
  Fe  Fe92  1  0.836037  0.220007  0.517980  1
  Fe  Fe93  1  0.835965  0.443796  0.565565  1
  Fe  Fe94  1  0.718800  0.852763  0.534928  1
  Fe  Fe95  1  0.718840  0.405237  0.439762  1
  Fe  Fe96  1  0.718795  0.629016  0.487345  1
  Fe  Fe97  1  0.601383  0.987547  0.544984  1
  Fe  Fe98  1  0.601452  0.540046  0.449823  1
  Fe  Fe99  1  0.601441  0.763801  0.497414  1
  Fe  Fe100  1  0.923669  0.152676  0.478673  1
  Fe  Fe101  1  0.923497  0.376396  0.526277  1
  Fe  Fe102  1  0.923261  0.928657  0.431015  1
  Fe  Fe103  1  0.078414  0.218720  0.449982  1
  Fe  Fe104  1  0.078222  0.442406  0.497557  1
  Fe  Fe105  1  0.078140  0.666173  0.545159  1
  Fe  Fe106  1  0.400362  0.038425  0.522881  1
  Fe  Fe107  1  0.400412  0.262233  0.570452  1
  Fe  Fe108  1  0.400376  0.814641  0.475307  1
  Fe  Fe109  1  0.463695  0.078482  0.471245  1
  Fe  Fe110  1  0.463645  0.302217  0.518841  1
  Fe  Fe111  1  0.463937  0.525968  0.566513  1
  Fe  Fe112  1  0.360692  0.698329  0.565442  1
  Fe  Fe113  1  0.360880  0.250806  0.470180  1
  Fe  Fe114  1  0.360879  0.474516  0.517816  1
  Fe  Fe115  1  0.640978  0.002530  0.433232  1
  Fe  Fe116  1  0.640971  0.226339  0.480811  1
  Fe  Fe117  1  0.641065  0.450100  0.528428  1
  Fe  Fe118  1  0.538309  0.170295  0.431230  1
  Fe  Fe119  1  0.538338  0.394044  0.478841  1
  Fe  Fe120  1  0.538217  0.617839  0.526482  1
  Fe  Fe121  1  0.783183  0.237497  0.440257  1
  Fe  Fe122  1  0.783187  0.461189  0.487847  1
  Fe  Fe123  1  0.783183  0.684932  0.535430  1
  Fe  Fe124  1  0.665790  0.087077  0.503332  1
  Fe  Fe125  1  0.665756  0.310856  0.550963  1
  Fe  Fe126  1  0.666044  0.863368  0.455670  1
  Fe  Fe127  1  0.335965  0.943796  0.565565  1
  Fe  Fe128  1  0.336214  0.496183  0.470321  1
  Fe  Fe129  1  0.336037  0.720007  0.517980  1
  Fe  Fe130  1  0.218795  0.129016  0.487345  1
  Fe  Fe131  1  0.218800  0.352763  0.534928  1
  Fe  Fe132  1  0.218840  0.905237  0.439762  1
  Fe  Fe133  1  0.101452  0.040046  0.449823  1
  Fe  Fe134  1  0.101441  0.263801  0.497414  1
  Fe  Fe135  1  0.101383  0.487547  0.544984  1
  Fe  Fe136  1  0.423497  0.876396  0.526277  1
  Fe  Fe137  1  0.423261  0.428657  0.431015  1
  Fe  Fe138  1  0.423669  0.652676  0.478673  1
  Fe  Fe139  1  0.578222  0.942406  0.497557  1
  Fe  Fe140  1  0.578140  0.166173  0.545159  1
  Fe  Fe141  1  0.578414  0.718720  0.449982  1
  Fe  Fe142  1  0.900412  0.762233  0.570452  1
  Fe  Fe143  1  0.900376  0.314641  0.475307  1
  Fe  Fe144  1  0.900362  0.538425  0.522881  1
  Fe  Fe145  1  0.970681  0.709502  0.707710  1
  Fe  Fe146  1  0.963276  0.249544  0.613945  1
  Fe  Fe147  1  0.968562  0.475363  0.662290  1
  Fe  Fe148  1  0.865088  0.645031  0.661091  1
  Fe  Fe149  1  0.848456  0.869837  0.707085  1
  Fe  Fe150  1  0.859833  0.422404  0.612985  1
  Fe  Fe151  1  0.141321  0.625562  0.671514  1
  Fe  Fe152  1  0.140586  0.173645  0.576023  1
  Fe  Fe153  1  0.141486  0.397431  0.623356  1
  Fe  Fe154  1  0.039324  0.790217  0.668125  1
  Fe  Fe155  1  0.037963  0.341609  0.574003  1
  Fe  Fe156  1  0.038201  0.565384  0.621581  1
  Fe  Fe157  1  0.282834  0.632374  0.630942  1
  Fe  Fe158  1  0.283209  0.858043  0.678060  1
  Fe  Fe159  1  0.283463  0.408624  0.582981  1
  Fe  Fe160  1  0.178328  0.486939  0.694502  1
  Fe  Fe161  1  0.165897  0.034758  0.598701  1
  Fe  Fe162  1  0.166927  0.258411  0.645809  1
  Fe  Fe163  1  0.835420  0.667228  0.613324  1
  Fe  Fe164  1  0.837165  0.890801  0.660449  1
  Fe  Fe165  1  0.856861  0.118475  0.706135  1
  Fe  Fe166  1  0.726390  0.523647  0.679115  1
  Fe  Fe167  1  0.719082  0.076334  0.582529  1
  Fe  Fe168  1  0.718131  0.301068  0.630715  1
  Fe  Fe169  1  0.598320  0.659020  0.686579  1
  Fe  Fe170  1  0.601534  0.211362  0.592579  1
  Fe  Fe171  1  0.601554  0.435945  0.641138  1
  Fe  Fe172  1  0.923879  0.824386  0.621535  1
  Fe  Fe173  1  0.921033  0.044725  0.668886  1
  Fe  Fe174  1  0.923400  0.600052  0.573873  1
  Fe  Fe175  1  0.078354  0.890275  0.592939  1
  Fe  Fe176  1  0.078020  0.113056  0.640621  1
  Fe  Fe177  1  0.073624  0.335101  0.687863  1
  Fe  Fe178  1  0.394389  0.711327  0.665374  1
  Fe  Fe179  1  0.427800  0.934374  0.711218  1
  Fe  Fe180  1  0.401489  0.485075  0.618268  1
  Fe  Fe181  1  0.463276  0.749544  0.613945  1
  Fe  Fe182  1  0.468562  0.975363  0.662290  1
  Fe  Fe183  1  0.470681  0.209502  0.707710  1
  Fe  Fe184  1  0.348456  0.369837  0.707085  1
  Fe  Fe185  1  0.359833  0.922404  0.612985  1
  Fe  Fe186  1  0.365088  0.145031  0.661091  1
  Fe  Fe187  1  0.640586  0.673645  0.576023  1
  Fe  Fe188  1  0.641486  0.897431  0.623356  1
  Fe  Fe189  1  0.641321  0.125562  0.671514  1
  Fe  Fe190  1  0.537963  0.841609  0.574003  1
  Fe  Fe191  1  0.538201  0.065384  0.621581  1
  Fe  Fe192  1  0.539324  0.290217  0.668125  1
  Fe  Fe193  1  0.783463  0.908624  0.582981  1
  Fe  Fe194  1  0.782834  0.132374  0.630942  1
  Fe  Fe195  1  0.783209  0.358043  0.678060  1
  Fe  Fe196  1  0.666927  0.758411  0.645809  1
  Fe  Fe197  1  0.678328  0.986939  0.694502  1
  Fe  Fe198  1  0.665897  0.534758  0.598701  1
  Fe  Fe199  1  0.356861  0.618475  0.706135  1
  Fe  Fe200  1  0.335420  0.167228  0.613324  1
  Fe  Fe201  1  0.337165  0.390801  0.660449  1
  Fe  Fe202  1  0.218131  0.801068  0.630715  1
  Fe  Fe203  1  0.226390  0.023647  0.679115  1
  Fe  Fe204  1  0.219082  0.576334  0.582529  1
  Fe  Fe205  1  0.101534  0.711362  0.592579  1
  Fe  Fe206  1  0.101554  0.935945  0.641138  1
  Fe  Fe207  1  0.098320  0.159020  0.686579  1
  Fe  Fe208  1  0.421033  0.544725  0.668886  1
  Fe  Fe209  1  0.423400  0.100052  0.573873  1
  Fe  Fe210  1  0.423879  0.324386  0.621535  1
  Fe  Fe211  1  0.578020  0.613056  0.640621  1
  Fe  Fe212  1  0.573624  0.835101  0.687863  1
  Fe  Fe213  1  0.578354  0.390275  0.592939  1
  Fe  Fe214  1  0.927800  0.434374  0.711218  1
  Fe  Fe215  1  0.901489  0.985075  0.618268  1
  Fe  Fe216  1  0.894389  0.211327  0.665374  1
  P  P217  1  0.048328  0.358006  0.350872  1
  P  P218  1  0.050346  0.581786  0.397738  1
  P  P219  1  0.043256  0.130521  0.299961  1
  P  P220  1  0.207128  0.162325  0.363376  1
  P  P221  1  0.209594  0.386366  0.410776  1
  P  P222  1  0.215042  0.940609  0.316810  1
  P  P223  1  0.793033  0.193390  0.349877  1
  P  P224  1  0.791675  0.418456  0.397073  1
  P  P225  1  0.790896  0.966030  0.298785  1
  P  P226  1  0.952644  0.220921  0.409835  1
  P  P227  1  0.949652  0.773142  0.312632  1
  P  P228  1  0.951723  0.997184  0.362254  1
  P  P229  1  0.543256  0.630521  0.299961  1
  P  P230  1  0.548328  0.858006  0.350872  1
  P  P231  1  0.550346  0.081786  0.397738  1
  P  P232  1  0.715042  0.440609  0.316810  1
  P  P233  1  0.707128  0.662325  0.363376  1
  P  P234  1  0.709594  0.886366  0.410776  1
  P  P235  1  0.290896  0.466030  0.298785  1
  P  P236  1  0.293033  0.693390  0.349877  1
  P  P237  1  0.291675  0.918456  0.397073  1
  P  P238  1  0.451723  0.497184  0.362254  1
  P  P239  1  0.452644  0.720921  0.409835  1
  P  P240  1  0.449652  0.273142  0.312632  1
  P  P241  1  0.049529  0.029080  0.493030  1
  P  P242  1  0.049476  0.252832  0.540628  1
  P  P243  1  0.049475  0.805318  0.445347  1
  P  P244  1  0.209128  0.833827  0.506165  1
  P  P245  1  0.209130  0.057665  0.553773  1
  P  P246  1  0.209282  0.610059  0.458576  1
  P  P247  1  0.792599  0.865814  0.492274  1
  P  P248  1  0.792570  0.089550  0.539892  1
  P  P249  1  0.792777  0.642085  0.444664  1
  P  P250  1  0.952526  0.892241  0.552566  1
  P  P251  1  0.952406  0.444624  0.457389  1
  P  P252  1  0.952269  0.668434  0.504947  1
  P  P253  1  0.549475  0.305318  0.445347  1
  P  P254  1  0.549529  0.529080  0.493030  1
  P  P255  1  0.549476  0.752832  0.540628  1
  P  P256  1  0.709282  0.110059  0.458576  1
  P  P257  1  0.709128  0.333827  0.506165  1
  P  P258  1  0.709130  0.557665  0.553773  1
  P  P259  1  0.292777  0.142085  0.444664  1
  P  P260  1  0.292599  0.365814  0.492274  1
  P  P261  1  0.292570  0.589550  0.539892  1
  P  P262  1  0.452269  0.168434  0.504947  1
  P  P263  1  0.452526  0.392241  0.552566  1
  P  P264  1  0.452406  0.944624  0.457389  1
  P  P265  1  0.049541  0.700194  0.635473  1
  P  P266  1  0.054897  0.925762  0.685202  1
  P  P267  1  0.049575  0.476562  0.588190  1
  P  P268  1  0.207008  0.505019  0.648782  1
  P  P269  1  0.211926  0.735225  0.699156  1
  P  P270  1  0.209226  0.281023  0.601234  1
  P  P271  1  0.793924  0.537139  0.635386  1
  P  P272  1  0.788032  0.759508  0.682947  1
  P  P273  1  0.791928  0.313327  0.587619  1
  P  P274  1  0.957552  0.568851  0.697724  1
  P  P275  1  0.951455  0.115745  0.600265  1
  P  P276  1  0.953305  0.340580  0.647189  1
  P  P277  1  0.549575  0.976562  0.588190  1
  P  P278  1  0.549541  0.200194  0.635473  1
  P  P279  1  0.554897  0.425762  0.685202  1
  P  P280  1  0.709226  0.781023  0.601234  1
  P  P281  1  0.707008  0.005019  0.648782  1
  P  P282  1  0.711926  0.235225  0.699156  1
  P  P283  1  0.291928  0.813327  0.587619  1
  P  P284  1  0.293924  0.037139  0.635386  1
  P  P285  1  0.288032  0.259508  0.682947  1
  P  P286  1  0.453305  0.840580  0.647189  1
  P  P287  1  0.457552  0.068851  0.697724  1
  P  P288  1  0.451455  0.615745  0.600265  1
