# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   33.69046951
_cell_length_b   27.84793639
_cell_length_c   55.19013901
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   63.77486833
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe192 P768'
_cell_volume   46449.9553425
_cell_formula_units_Z   192
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  0.396570  0.308184  0.317290  1
  Fe  Fe2  1  0.416546  0.880256  0.287508  1
  Fe  Fe3  1  0.861843  0.237621  0.353100  1
  Fe  Fe4  1  0.361843  0.737621  0.353100  1
  Fe  Fe5  1  0.896570  0.808184  0.317290  1
  Fe  Fe6  1  0.916546  0.380256  0.287508  1
  Fe  Fe7  1  0.215717  0.431625  0.380204  1
  Fe  Fe8  1  0.248660  0.002994  0.341799  1
  Fe  Fe9  1  0.785071  0.065512  0.312452  1
  Fe  Fe10  1  0.285071  0.565512  0.312452  1
  Fe  Fe11  1  0.715717  0.931625  0.380204  1
  Fe  Fe12  1  0.748660  0.502994  0.341799  1
  Fe  Fe13  1  0.286820  0.585540  0.365379  1
  Fe  Fe14  1  0.321322  0.158081  0.333589  1
  Fe  Fe15  1  0.855593  0.232820  0.301889  1
  Fe  Fe16  1  0.355593  0.732820  0.301889  1
  Fe  Fe17  1  0.786820  0.085540  0.365379  1
  Fe  Fe18  1  0.821322  0.658081  0.333589  1
  Fe  Fe19  1  0.300800  0.372298  0.350142  1
  Fe  Fe20  1  0.335933  0.942653  0.313203  1
  Fe  Fe21  1  0.861190  0.012755  0.283828  1
  Fe  Fe22  1  0.361190  0.512755  0.283828  1
  Fe  Fe23  1  0.800800  0.872298  0.350142  1
  Fe  Fe24  1  0.835933  0.442653  0.313203  1
  Fe  Fe25  1  0.658472  0.847424  0.305301  1
  Fe  Fe26  1  0.595597  0.700758  0.369744  1
  Fe  Fe27  1  0.129543  0.771073  0.333472  1
  Fe  Fe28  1  0.629543  0.271073  0.333472  1
  Fe  Fe29  1  0.158472  0.347424  0.305301  1
  Fe  Fe30  1  0.095597  0.200758  0.369744  1
  Fe  Fe31  1  0.548622  0.113798  0.297817  1
  Fe  Fe32  1  0.483150  0.965825  0.359436  1
  Fe  Fe33  1  0.014983  0.039512  0.325791  1
  Fe  Fe34  1  0.514983  0.539512  0.325791  1
  Fe  Fe35  1  0.048622  0.613798  0.297817  1
  Fe  Fe36  1  0.983150  0.465825  0.359436  1
  Fe  Fe37  1  0.554243  0.122222  0.350858  1
  Fe  Fe38  1  0.587600  0.694080  0.315568  1
  Fe  Fe39  1  0.116116  0.760240  0.283860  1
  Fe  Fe40  1  0.616116  0.260240  0.283860  1
  Fe  Fe41  1  0.054243  0.622222  0.350858  1
  Fe  Fe42  1  0.087600  0.194080  0.315568  1
  Fe  Fe43  1  0.531706  0.340162  0.369556  1
  Fe  Fe44  1  0.571546  0.906211  0.331715  1
  Fe  Fe45  1  0.100431  0.984384  0.301421  1
  Fe  Fe46  1  0.600431  0.484384  0.301421  1
  Fe  Fe47  1  0.031706  0.840162  0.369556  1
  Fe  Fe48  1  0.071546  0.406211  0.331715  1
  Fe  Fe49  1  0.294355  0.595691  0.428487  1
  Fe  Fe50  1  0.329478  0.164220  0.387926  1
  Fe  Fe51  1  0.760838  0.523208  0.462450  1
  Fe  Fe52  1  0.260838  0.023208  0.462450  1
  Fe  Fe53  1  0.794355  0.095691  0.428487  1
  Fe  Fe54  1  0.829478  0.664220  0.387926  1
  Fe  Fe55  1  0.112313  0.718869  0.491166  1
  Fe  Fe56  1  0.146463  0.289791  0.454154  1
  Fe  Fe57  1  0.679971  0.361423  0.416942  1
  Fe  Fe58  1  0.179971  0.861423  0.416942  1
  Fe  Fe59  1  0.612313  0.218869  0.491166  1
  Fe  Fe60  1  0.646463  0.789791  0.454154  1
  Fe  Fe61  1  0.184811  0.873904  0.482437  1
  Fe  Fe62  1  0.219649  0.444163  0.445262  1
  Fe  Fe63  1  0.753500  0.515152  0.407727  1
  Fe  Fe64  1  0.253500  0.015152  0.407727  1
  Fe  Fe65  1  0.684811  0.373904  0.482437  1
  Fe  Fe66  1  0.719649  0.944163  0.445262  1
  Fe  Fe67  1  0.196961  0.661551  0.462085  1
  Fe  Fe68  1  0.230904  0.232353  0.424830  1
  Fe  Fe69  1  0.764179  0.303745  0.387818  1
  Fe  Fe70  1  0.264179  0.803745  0.387818  1
  Fe  Fe71  1  0.696961  0.161551  0.462085  1
  Fe  Fe72  1  0.730904  0.732353  0.424830  1
  Fe  Fe73  1  0.562073  0.129391  0.406921  1
  Fe  Fe74  1  0.493478  0.987884  0.481157  1
  Fe  Fe75  1  0.027045  0.059333  0.444630  1
  Fe  Fe76  1  0.527045  0.559333  0.444630  1
  Fe  Fe77  1  0.062073  0.629391  0.406921  1
  Fe  Fe78  1  0.993478  0.487884  0.481157  1
  Fe  Fe79  1  0.447633  0.396595  0.398038  1
  Fe  Fe80  1  0.379228  0.254647  0.472700  1
  Fe  Fe81  1  0.913324  0.325520  0.435345  1
  Fe  Fe82  1  0.413324  0.825520  0.435345  1
  Fe  Fe83  1  0.947633  0.896595  0.398038  1
  Fe  Fe84  1  0.879228  0.754647  0.472700  1
  Fe  Fe85  1  0.452182  0.408942  0.463670  1
  Fe  Fe86  1  0.486833  0.979185  0.426091  1
  Fe  Fe87  1  0.020053  0.051854  0.389999  1
  Fe  Fe88  1  0.520053  0.551854  0.389999  1
  Fe  Fe89  1  0.952182  0.908942  0.463670  1
  Fe  Fe90  1  0.986833  0.479185  0.426091  1
  Fe  Fe91  1  0.429315  0.626459  0.480837  1
  Fe  Fe92  1  0.463601  0.197112  0.443469  1
  Fe  Fe93  1  0.997543  0.268420  0.406278  1
  Fe  Fe94  1  0.497543  0.768420  0.406278  1
  Fe  Fe95  1  0.929315  0.126459  0.480837  1
  Fe  Fe96  1  0.963601  0.697112  0.443469  1
  Fe  Fe97  1  0.192126  0.881561  0.537055  1
  Fe  Fe98  1  0.226382  0.452614  0.500119  1
  Fe  Fe99  1  0.657977  0.810882  0.574281  1
  Fe  Fe100  1  0.157977  0.310882  0.574281  1
  Fe  Fe101  1  0.692126  0.381561  0.537055  1
  Fe  Fe102  1  0.726382  0.952614  0.500119  1
  Fe  Fe103  1  0.010211  0.007053  0.605946  1
  Fe  Fe104  1  0.043502  0.577620  0.565670  1
  Fe  Fe105  1  0.577913  0.648112  0.528510  1
  Fe  Fe106  1  0.077913  0.148112  0.528510  1
  Fe  Fe107  1  0.510211  0.507053  0.605946  1
  Fe  Fe108  1  0.543502  0.077620  0.565670  1
  Fe  Fe109  1  0.082078  0.161213  0.594015  1
  Fe  Fe110  1  0.116705  0.731491  0.556611  1
  Fe  Fe111  1  0.651191  0.802216  0.519448  1
  Fe  Fe112  1  0.151191  0.302216  0.519448  1
  Fe  Fe113  1  0.582078  0.661213  0.594015  1
  Fe  Fe114  1  0.616705  0.231491  0.556611  1
  Fe  Fe115  1  0.093936  0.948599  0.574044  1
  Fe  Fe116  1  0.127972  0.520044  0.536513  1
  Fe  Fe117  1  0.662394  0.590786  0.499296  1
  Fe  Fe118  1  0.162394  0.090786  0.499296  1
  Fe  Fe119  1  0.593936  0.448599  0.574044  1
  Fe  Fe120  1  0.627972  0.020044  0.536513  1
  Fe  Fe121  1  0.459355  0.416927  0.518716  1
  Fe  Fe122  1  0.391205  0.275105  0.592914  1
  Fe  Fe123  1  0.925298  0.345823  0.555362  1
  Fe  Fe124  1  0.425298  0.845823  0.555362  1
  Fe  Fe125  1  0.959355  0.916927  0.518716  1
  Fe  Fe126  1  0.891205  0.775105  0.592914  1
  Fe  Fe127  1  0.344995  0.683838  0.510127  1
  Fe  Fe128  1  0.276785  0.541512  0.584264  1
  Fe  Fe129  1  0.810956  0.612400  0.546725  1
  Fe  Fe130  1  0.310956  0.112400  0.546725  1
  Fe  Fe131  1  0.844995  0.183838  0.510127  1
  Fe  Fe132  1  0.776785  0.041512  0.584264  1
  Fe  Fe133  1  0.349778  0.696551  0.575317  1
  Fe  Fe134  1  0.384101  0.267166  0.538113  1
  Fe  Fe135  1  0.918031  0.338066  0.500758  1
  Fe  Fe136  1  0.418031  0.838066  0.500758  1
  Fe  Fe137  1  0.849778  0.196551  0.575317  1
  Fe  Fe138  1  0.884101  0.767166  0.538113  1
  Fe  Fe139  1  0.326812  0.913622  0.592487  1
  Fe  Fe140  1  0.361284  0.484330  0.554980  1
  Fe  Fe141  1  0.895385  0.555273  0.517520  1
  Fe  Fe142  1  0.395385  0.055273  0.517520  1
  Fe  Fe143  1  0.826812  0.413622  0.592487  1
  Fe  Fe144  1  0.861284  0.984330  0.554980  1
  Fe  Fe145  1  0.088719  0.169362  0.648969  1
  Fe  Fe146  1  0.124225  0.739053  0.611333  1
  Fe  Fe147  1  0.553463  0.098845  0.685371  1
  Fe  Fe148  1  0.053463  0.598845  0.685371  1
  Fe  Fe149  1  0.588719  0.669362  0.648969  1
  Fe  Fe150  1  0.624225  0.239053  0.611333  1
  Fe  Fe151  1  0.908234  0.295369  0.708312  1
  Fe  Fe152  1  0.941857  0.863781  0.676857  1
  Fe  Fe153  1  0.475526  0.936186  0.641445  1
  Fe  Fe154  1  0.975526  0.436186  0.641445  1
  Fe  Fe155  1  0.408234  0.795369  0.708312  1
  Fe  Fe156  1  0.441857  0.363781  0.676857  1
  Fe  Fe157  1  0.977415  0.444520  0.693541  1
  Fe  Fe158  1  0.015015  0.016441  0.662556  1
  Fe  Fe159  1  0.548013  0.090042  0.631208  1
  Fe  Fe160  1  0.048013  0.590042  0.631208  1
  Fe  Fe161  1  0.477415  0.944520  0.693541  1
  Fe  Fe162  1  0.515015  0.516441  0.662556  1
  Fe  Fe163  1  0.991693  0.236770  0.683216  1
  Fe  Fe164  1  0.026161  0.806720  0.648424  1
  Fe  Fe165  1  0.559909  0.878055  0.610489  1
  Fe  Fe166  1  0.059909  0.378055  0.610489  1
  Fe  Fe167  1  0.491693  0.736770  0.683216  1
  Fe  Fe168  1  0.526161  0.306720  0.648424  1
  Fe  Fe169  1  0.356829  0.704006  0.630438  1
  Fe  Fe170  1  0.287188  0.561307  0.698863  1
  Fe  Fe171  1  0.817368  0.637546  0.667127  1
  Fe  Fe172  1  0.317368  0.137546  0.667127  1
  Fe  Fe173  1  0.856829  0.204006  0.630438  1
  Fe  Fe174  1  0.787188  0.061307  0.698863  1
  Fe  Fe175  1  0.243342  0.971267  0.624124  1
  Fe  Fe176  1  0.174788  0.828233  0.690760  1
  Fe  Fe177  1  0.707825  0.900990  0.659187  1
  Fe  Fe178  1  0.207825  0.400990  0.659187  1
  Fe  Fe179  1  0.743342  0.471267  0.624124  1
  Fe  Fe180  1  0.674788  0.328233  0.690760  1
  Fe  Fe181  1  0.246454  0.982286  0.679868  1
  Fe  Fe182  1  0.281299  0.553008  0.647417  1
  Fe  Fe183  1  0.815973  0.625111  0.611653  1
  Fe  Fe184  1  0.315973  0.125111  0.611653  1
  Fe  Fe185  1  0.746454  0.482286  0.679868  1
  Fe  Fe186  1  0.781299  0.053008  0.647417  1
  Fe  Fe187  1  0.233207  0.192320  0.694324  1
  Fe  Fe188  1  0.259668  0.771554  0.665578  1
  Fe  Fe189  1  0.792625  0.843098  0.629809  1
  Fe  Fe190  1  0.292625  0.343098  0.629809  1
  Fe  Fe191  1  0.733207  0.692320  0.694324  1
  Fe  Fe192  1  0.759668  0.271554  0.665578  1
  P  P193  1  0.387675  0.166475  0.325162  1
  P  P194  1  0.417127  0.737713  0.289338  1
  P  P195  1  0.852960  0.094033  0.362527  1
  P  P196  1  0.352960  0.594033  0.362527  1
  P  P197  1  0.887675  0.666475  0.325162  1
  P  P198  1  0.917127  0.237713  0.289338  1
  P  P199  1  0.271274  0.430631  0.316740  1
  P  P200  1  0.305995  0.003783  0.280085  1
  P  P201  1  0.735958  0.362485  0.354550  1
  P  P202  1  0.235958  0.862485  0.354550  1
  P  P203  1  0.771274  0.930631  0.316740  1
  P  P204  1  0.805995  0.503783  0.280085  1
  P  P205  1  0.285767  0.217801  0.299048  1
  P  P206  1  0.219802  0.076267  0.372571  1
  P  P207  1  0.753898  0.149053  0.333876  1
  P  P208  1  0.253898  0.649053  0.333876  1
  P  P209  1  0.785767  0.717801  0.299048  1
  P  P210  1  0.719802  0.576267  0.372571  1
  P  P211  1  0.236653  0.360464  0.352900  1
  P  P212  1  0.267246  0.934890  0.314165  1
  P  P213  1  0.799983  0.004521  0.277336  1
  P  P214  1  0.299983  0.504521  0.277336  1
  P  P215  1  0.736653  0.860464  0.352900  1
  P  P216  1  0.767246  0.434890  0.314165  1
  P  P217  1  0.221659  0.576787  0.372672  1
  P  P218  1  0.255198  0.146069  0.335503  1
  P  P219  1  0.793056  0.223497  0.296966  1
  P  P220  1  0.293056  0.723497  0.296966  1
  P  P221  1  0.721659  0.076787  0.372672  1
  P  P222  1  0.755198  0.646069  0.335503  1
  P  P223  1  0.215061  0.564065  0.312616  1
  P  P224  1  0.147158  0.423981  0.387260  1
  P  P225  1  0.680107  0.495634  0.349285  1
  P  P226  1  0.180107  0.995634  0.349285  1
  P  P227  1  0.715061  0.064065  0.312616  1
  P  P228  1  0.647158  0.923981  0.387260  1
  P  P229  1  0.662048  0.210426  0.366619  1
  P  P230  1  0.694633  0.780292  0.331157  1
  P  P231  1  0.227969  0.854389  0.294251  1
  P  P232  1  0.727969  0.354389  0.294251  1
  P  P233  1  0.162048  0.710426  0.366619  1
  P  P234  1  0.194633  0.280292  0.331157  1
  P  P235  1  0.370717  0.379312  0.345263  1
  P  P236  1  0.403972  0.955072  0.306881  1
  P  P237  1  0.834932  0.310018  0.383126  1
  P  P238  1  0.334932  0.810018  0.383126  1
  P  P239  1  0.870717  0.879312  0.345263  1
  P  P240  1  0.903972  0.455072  0.306881  1
  P  P241  1  0.328396  0.298054  0.319717  1
  P  P242  1  0.356161  0.869684  0.281726  1
  P  P243  1  0.794295  0.227981  0.358130  1
  P  P244  1  0.294295  0.727981  0.358130  1
  P  P245  1  0.828396  0.798054  0.319717  1
  P  P246  1  0.856161  0.369684  0.281726  1
  P  P247  1  0.724170  0.852029  0.292711  1
  P  P248  1  0.661413  0.710906  0.367435  1
  P  P249  1  0.195651  0.781718  0.328568  1
  P  P250  1  0.695651  0.281718  0.328568  1
  P  P251  1  0.224170  0.352029  0.292711  1
  P  P252  1  0.161413  0.210906  0.367435  1
  P  P253  1  0.336278  0.309049  0.380848  1
  P  P254  1  0.367985  0.881980  0.344942  1
  P  P255  1  0.905488  0.948930  0.307399  1
  P  P256  1  0.405488  0.448930  0.307399  1
  P  P257  1  0.836278  0.809049  0.380848  1
  P  P258  1  0.867985  0.381980  0.344942  1
  P  P259  1  0.181715  0.496458  0.349747  1
  P  P260  1  0.212990  0.066997  0.310791  1
  P  P261  1  0.644808  0.426062  0.386485  1
  P  P262  1  0.144808  0.926062  0.386485  1
  P  P263  1  0.681715  0.996458  0.349747  1
  P  P264  1  0.712990  0.566997  0.310791  1
  P  P265  1  0.314114  0.506302  0.341513  1
  P  P266  1  0.345896  0.087420  0.302523  1
  P  P267  1  0.777998  0.442582  0.376195  1
  P  P268  1  0.277998  0.942582  0.376195  1
  P  P269  1  0.814114  0.006302  0.341513  1
  P  P270  1  0.845896  0.587420  0.302523  1
  P  P271  1  0.424671  0.237498  0.288003  1
  P  P272  1  0.358062  0.090158  0.362069  1
  P  P273  1  0.890943  0.161701  0.326294  1
  P  P274  1  0.390943  0.661701  0.326294  1
  P  P275  1  0.924671  0.737498  0.288003  1
  P  P276  1  0.858062  0.590158  0.362069  1
  P  P277  1  0.363255  0.370676  0.285264  1
  P  P278  1  0.294119  0.231181  0.358924  1
  P  P279  1  0.825639  0.307298  0.323757  1
  P  P280  1  0.325639  0.807298  0.323757  1
  P  P281  1  0.863255  0.870676  0.285264  1
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