# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   34.17104019
_cell_length_b   25.42645671
_cell_length_c   50.62524808
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.23444038
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe180 P720'
_cell_volume   42722.2905501
_cell_formula_units_Z   180
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  0.649951  0.393608  0.314875  1
  Fe  Fe2  1  0.149951  0.393608  0.314875  1
  Fe  Fe3  1  0.654832  0.795963  0.304262  1
  Fe  Fe4  1  0.632426  0.042983  0.350677  1
  Fe  Fe5  1  0.154832  0.795963  0.304262  1
  Fe  Fe6  1  0.132426  0.042983  0.350677  1
  Fe  Fe7  1  0.397484  0.383520  0.323044  1
  Fe  Fe8  1  0.897484  0.383520  0.323044  1
  Fe  Fe9  1  0.412101  0.755562  0.298165  1
  Fe  Fe10  1  0.386319  0.004778  0.354994  1
  Fe  Fe11  1  0.912101  0.755562  0.298165  1
  Fe  Fe12  1  0.886319  0.004778  0.354994  1
  Fe  Fe13  1  0.815482  0.277327  0.282768  1
  Fe  Fe14  1  0.315482  0.277327  0.282768  1
  Fe  Fe15  1  0.798319  0.518144  0.332824  1
  Fe  Fe16  1  0.809823  0.920958  0.309806  1
  Fe  Fe17  1  0.298319  0.518144  0.332824  1
  Fe  Fe18  1  0.309823  0.920958  0.309806  1
  Fe  Fe19  1  0.587156  0.304804  0.280291  1
  Fe  Fe20  1  0.087156  0.304804  0.280291  1
  Fe  Fe21  1  0.546458  0.543556  0.330116  1
  Fe  Fe22  1  0.565646  0.939658  0.312506  1
  Fe  Fe23  1  0.046458  0.543556  0.330116  1
  Fe  Fe24  1  0.065646  0.939658  0.312506  1
  Fe  Fe25  1  0.736881  0.337756  0.301899  1
  Fe  Fe26  1  0.236881  0.337756  0.301899  1
  Fe  Fe27  1  0.701630  0.580064  0.358300  1
  Fe  Fe28  1  0.727169  0.977900  0.329335  1
  Fe  Fe29  1  0.201630  0.580064  0.358300  1
  Fe  Fe30  1  0.227169  0.977900  0.329335  1
  Fe  Fe31  1  0.479078  0.171331  0.316712  1
  Fe  Fe32  1  0.979078  0.171331  0.316712  1
  Fe  Fe33  1  0.489032  0.532335  0.290853  1
  Fe  Fe34  1  0.463659  0.773613  0.342501  1
  Fe  Fe35  1  0.989032  0.532335  0.290853  1
  Fe  Fe36  1  0.963659  0.773613  0.342501  1
  Fe  Fe37  1  0.603652  0.284314  0.415529  1
  Fe  Fe38  1  0.103652  0.284314  0.415529  1
  Fe  Fe39  1  0.620295  0.633889  0.377994  1
  Fe  Fe40  1  0.594108  0.875525  0.440211  1
  Fe  Fe41  1  0.120295  0.633889  0.377994  1
  Fe  Fe42  1  0.094108  0.875525  0.440211  1
  Fe  Fe43  1  0.359751  0.246985  0.416042  1
  Fe  Fe44  1  0.859751  0.246985  0.416042  1
  Fe  Fe45  1  0.363231  0.616831  0.380437  1
  Fe  Fe46  1  0.337462  0.852276  0.441721  1
  Fe  Fe47  1  0.863231  0.616831  0.380437  1
  Fe  Fe48  1  0.837462  0.852276  0.441721  1
  Fe  Fe49  1  0.784525  0.157463  0.368486  1
  Fe  Fe50  1  0.284525  0.157463  0.368486  1
  Fe  Fe51  1  0.756011  0.398566  0.429700  1
  Fe  Fe52  1  0.771279  0.754696  0.393132  1
  Fe  Fe53  1  0.256011  0.398566  0.429700  1
  Fe  Fe54  1  0.271279  0.754696  0.393132  1
  Fe  Fe55  1  0.534872  0.189573  0.362945  1
  Fe  Fe56  1  0.034872  0.189573  0.362945  1
  Fe  Fe57  1  0.510296  0.428337  0.429491  1
  Fe  Fe58  1  0.516712  0.784588  0.391455  1
  Fe  Fe59  1  0.010296  0.428337  0.429491  1
  Fe  Fe60  1  0.016712  0.784588  0.391455  1
  Fe  Fe61  1  0.702015  0.215461  0.389266  1
  Fe  Fe62  1  0.202015  0.215461  0.389266  1
  Fe  Fe63  1  0.674440  0.456497  0.450736  1
  Fe  Fe64  1  0.675270  0.818918  0.420067  1
  Fe  Fe65  1  0.174440  0.456497  0.450736  1
  Fe  Fe66  1  0.175270  0.818918  0.420067  1
  Fe  Fe67  1  0.438920  0.013871  0.403861  1
  Fe  Fe68  1  0.938920  0.013871  0.403861  1
  Fe  Fe69  1  0.449651  0.402792  0.371110  1
  Fe  Fe70  1  0.423772  0.640657  0.435604  1
  Fe  Fe71  1  0.949651  0.402792  0.371110  1
  Fe  Fe72  1  0.923772  0.640657  0.435604  1
  Fe  Fe73  1  0.567772  0.116731  0.500693  1
  Fe  Fe74  1  0.067772  0.116731  0.500693  1
  Fe  Fe75  1  0.577376  0.524009  0.476441  1
  Fe  Fe76  1  0.551046  0.762963  0.538033  1
  Fe  Fe77  1  0.077376  0.524009  0.476441  1
  Fe  Fe78  1  0.051046  0.762963  0.538033  1
  Fe  Fe79  1  0.311818  0.089170  0.502343  1
  Fe  Fe80  1  0.811818  0.089170  0.502343  1
  Fe  Fe81  1  0.332640  0.487401  0.478326  1
  Fe  Fe82  1  0.305571  0.729559  0.539660  1
  Fe  Fe83  1  0.832640  0.487401  0.478326  1
  Fe  Fe84  1  0.805571  0.729559  0.539660  1
  Fe  Fe85  1  0.745744  0.993526  0.454535  1
  Fe  Fe86  1  0.245744  0.993526  0.454535  1
  Fe  Fe87  1  0.719849  0.232367  0.515713  1
  Fe  Fe88  1  0.729537  0.638623  0.491491  1
  Fe  Fe89  1  0.219849  0.232367  0.515713  1
  Fe  Fe90  1  0.229537  0.638623  0.491491  1
  Fe  Fe91  1  0.491743  0.025420  0.452752  1
  Fe  Fe92  1  0.991743  0.025420  0.452752  1
  Fe  Fe93  1  0.464352  0.267576  0.514062  1
  Fe  Fe94  1  0.484948  0.667008  0.490605  1
  Fe  Fe95  1  0.964352  0.267576  0.514062  1
  Fe  Fe96  1  0.984948  0.667008  0.490605  1
  Fe  Fe97  1  0.648905  0.059739  0.480000  1
  Fe  Fe98  1  0.148905  0.059739  0.480000  1
  Fe  Fe99  1  0.622741  0.299014  0.541382  1
  Fe  Fe100  1  0.647925  0.696019  0.512421  1
  Fe  Fe101  1  0.122741  0.299014  0.541382  1
  Fe  Fe102  1  0.147925  0.696019  0.512421  1
  Fe  Fe103  1  0.398565  0.878185  0.496500  1
  Fe  Fe104  1  0.898565  0.878185  0.496500  1
  Fe  Fe105  1  0.412377  0.256798  0.465177  1
  Fe  Fe106  1  0.384837  0.497868  0.527069  1
  Fe  Fe107  1  0.912377  0.256798  0.465177  1
  Fe  Fe108  1  0.884837  0.497868  0.527069  1
  Fe  Fe109  1  0.525682  0.002346  0.599856  1
  Fe  Fe110  1  0.025682  0.002346  0.599856  1
  Fe  Fe111  1  0.541529  0.356800  0.562409  1
  Fe  Fe112  1  0.509467  0.600733  0.625854  1
  Fe  Fe113  1  0.041529  0.356800  0.562409  1
  Fe  Fe114  1  0.009467  0.600733  0.625854  1
  Fe  Fe115  1  0.279466  0.970328  0.601128  1
  Fe  Fe116  1  0.779466  0.970328  0.601128  1
  Fe  Fe117  1  0.286875  0.328521  0.562909  1
  Fe  Fe118  1  0.261822  0.566787  0.629524  1
  Fe  Fe119  1  0.786875  0.328521  0.562909  1
  Fe  Fe120  1  0.761822  0.566787  0.629524  1
  Fe  Fe121  1  0.702713  0.879786  0.552331  1
  Fe  Fe122  1  0.202713  0.879786  0.552331  1
  Fe  Fe123  1  0.677310  0.122102  0.613833  1
  Fe  Fe124  1  0.688419  0.473857  0.579290  1
  Fe  Fe125  1  0.177310  0.122102  0.613833  1
  Fe  Fe126  1  0.188419  0.473857  0.579290  1
  Fe  Fe127  1  0.459339  0.905047  0.551179  1
  Fe  Fe128  1  0.959339  0.905047  0.551179  1
  Fe  Fe129  1  0.433422  0.140463  0.613031  1
  Fe  Fe130  1  0.437957  0.508000  0.576007  1
  Fe  Fe131  1  0.933422  0.140463  0.613031  1
  Fe  Fe132  1  0.937957  0.508000  0.576007  1
  Fe  Fe133  1  0.621514  0.936836  0.572712  1
  Fe  Fe134  1  0.121514  0.936836  0.572712  1
  Fe  Fe135  1  0.595294  0.176488  0.634122  1
  Fe  Fe136  1  0.603656  0.530900  0.599818  1
  Fe  Fe137  1  0.095294  0.176488  0.634122  1
  Fe  Fe138  1  0.103656  0.530900  0.599818  1
  Fe  Fe139  1  0.357937  0.740059  0.588783  1
  Fe  Fe140  1  0.857937  0.740059  0.588783  1
  Fe  Fe141  1  0.372719  0.116419  0.556835  1
  Fe  Fe142  1  0.348760  0.354354  0.621120  1
  Fe  Fe143  1  0.872719  0.116419  0.556835  1
  Fe  Fe144  1  0.848760  0.354354  0.621120  1
  Fe  Fe145  1  0.487946  0.838449  0.683905  1
  Fe  Fe146  1  0.987946  0.838449  0.683905  1
  Fe  Fe147  1  0.500394  0.239583  0.659228  1
  Fe  Fe148  1  0.480577  0.480103  0.710234  1
  Fe  Fe149  1  1.000394  0.239583  0.659228  1
  Fe  Fe150  1  0.980577  0.480103  0.710234  1
  Fe  Fe151  1  0.228229  0.817259  0.680865  1
  Fe  Fe152  1  0.728229  0.817259  0.680865  1
  Fe  Fe153  1  0.253090  0.211725  0.661842  1
  Fe  Fe154  1  0.212024  0.450715  0.712596  1
  Fe  Fe155  1  0.753090  0.211725  0.661842  1
  Fe  Fe156  1  0.712024  0.450715  0.712596  1
  Fe  Fe157  1  0.667396  0.711370  0.640399  1
  Fe  Fe158  1  0.167396  0.711370  0.640399  1
  Fe  Fe159  1  0.636839  0.959624  0.689370  1
  Fe  Fe160  1  0.649515  0.361163  0.677825  1
  Fe  Fe161  1  0.136839  0.959624  0.689370  1
  Fe  Fe162  1  0.149515  0.361163  0.677825  1
  Fe  Fe163  1  0.410375  0.749045  0.637915  1
  Fe  Fe164  1  0.910375  0.749045  0.637915  1
  Fe  Fe165  1  0.384320  0.996727  0.694271  1
  Fe  Fe166  1  0.401828  0.375638  0.669063  1
  Fe  Fe167  1  0.884320  0.996727  0.694271  1
  Fe  Fe168  1  0.901828  0.375638  0.669063  1
  Fe  Fe169  1  0.568801  0.777058  0.664560  1
  Fe  Fe170  1  0.068801  0.777058  0.664560  1
  Fe  Fe171  1  0.551953  0.016413  0.709829  1
  Fe  Fe172  1  0.560509  0.416529  0.692784  1
  Fe  Fe173  1  0.051953  0.016413  0.709829  1
  Fe  Fe174  1  0.060509  0.416529  0.692784  1
  Fe  Fe175  1  0.317007  0.587287  0.675807  1
  Fe  Fe176  1  0.817007  0.587287  0.675807  1
  Fe  Fe177  1  0.331870  0.980955  0.650047  1
  Fe  Fe178  1  0.312423  0.222019  0.700469  1
  Fe  Fe179  1  0.831870  0.980955  0.650047  1
  Fe  Fe180  1  0.812423  0.222019  0.700469  1
  P  P181  1  0.592922  0.383926  0.342525  1
  P  P182  1  0.092922  0.383926  0.342525  1
  P  P183  1  0.597860  0.783481  0.320115  1
  P  P184  1  0.613760  0.150223  0.284633  1
  P  P185  1  0.097860  0.783481  0.320115  1
  P  P186  1  0.113760  0.150223  0.284633  1
  P  P187  1  0.369316  0.426122  0.280835  1
  P  P188  1  0.869316  0.426122  0.280835  1
  P  P189  1  0.335827  0.660154  0.339611  1
  P  P190  1  0.359587  0.049887  0.312837  1
  P  P191  1  0.835827  0.660154  0.339611  1
  P  P192  1  0.859587  0.049887  0.312837  1
  P  P193  1  0.843779  0.170194  0.341999  1
  P  P194  1  0.343779  0.170194  0.341999  1
  P  P195  1  0.851000  0.544455  0.308947  1
  P  P196  1  0.867936  0.932510  0.283551  1
  P  P197  1  0.351000  0.544455  0.308947  1
  P  P198  1  0.367936  0.932510  0.283551  1
  P  P199  1  0.604953  0.263059  0.317494  1
  P  P200  1  0.104953  0.263059  0.317494  1
  P  P201  1  0.614558  0.665853  0.291393  1
  P  P202  1  0.589916  0.902465  0.350157  1
  P  P203  1  0.114558  0.665853  0.291393  1
  P  P204  1  0.089916  0.902465  0.350157  1
  P  P205  1  0.631445  0.354477  0.272835  1
  P  P206  1  0.131445  0.354477  0.272835  1
  P  P207  1  0.589876  0.603126  0.339012  1
  P  P208  1  0.605412  0.009427  0.311572  1
  P  P209  1  0.089876  0.603126  0.339012  1
  P  P210  1  0.105412  0.009427  0.311572  1
  P  P211  1  0.838603  0.429044  0.343605  1
  P  P212  1  0.338603  0.429044  0.343605  1
  P  P213  1  0.852552  0.824766  0.310850  1
  P  P214  1  0.861837  0.197565  0.278224  1
  P  P215  1  0.352552  0.824766  0.310850  1
  P  P216  1  0.361837  0.197565  0.278224  1
  P  P217  1  0.453653  0.472834  0.272565  1
  P  P218  1  0.953653  0.472834  0.272565  1
  P  P219  1  0.418903  0.710233  0.335717  1
  P  P220  1  0.437070  0.107558  0.303709  1
  P  P221  1  0.918903  0.710233  0.335717  1
  P  P222  1  0.937070  0.107558  0.303709  1
  P  P223  1  0.699598  0.421260  0.286847  1
  P  P224  1  0.199598  0.421260  0.286847  1
  P  P225  1  0.662353  0.668546  0.348091  1
  P  P226  1  0.682517  0.067921  0.320832  1
  P  P227  1  0.162353  0.668546  0.348091  1
  P  P228  1  0.182517  0.067921  0.320832  1
  P  P229  1  0.518147  0.235959  0.321466  1
  P  P230  1  0.018147  0.235959  0.321466  1
  P  P231  1  0.531893  0.591913  0.287753  1
  P  P232  1  0.507452  0.835423  0.350570  1
  P  P233  1  0.031893  0.591913  0.287753  1
  P  P234  1  0.007452  0.835423  0.350570  1
  P  P235  1  0.771558  0.244525  0.304485  1
  P  P236  1  0.271558  0.244525  0.304485  1
  P  P237  1  0.790900  0.648988  0.279656  1
  P  P238  1  0.766534  0.887645  0.338733  1
  P  P239  1  0.290900  0.648988  0.279656  1
  P  P240  1  0.266534  0.887645  0.338733  1
  P  P241  1  0.498748  0.123819  0.356130  1
  P  P242  1  0.998748  0.123819  0.356130  1
  P  P243  1  0.510056  0.481550  0.326179  1
  P  P244  1  0.524476  0.889788  0.294828  1
  P  P245  1  0.010056  0.481550  0.326179  1
  P  P246  1  0.024476  0.889788  0.294828  1
  P  P247  1  0.750866  0.246567  0.365325  1
  P  P248  1  0.250866  0.246567  0.365325  1
  P  P249  1  0.753959  0.604278  0.329058  1
  P  P250  1  0.774563  0.006789  0.298881  1
  P  P251  1  0.253959  0.604278  0.329058  1
  P  P252  1  0.274563  0.006789  0.298881  1
  P  P253  1  0.425567  0.454392  0.332526  1
  P  P254  1  0.925567  0.454392  0.332526  1
  P  P255  1  0.447519  0.824536  0.299853  1
  P  P256  1  0.455166  0.215284  0.274008  1
  P  P257  1  0.947519  0.824536  0.299853  1
  P  P258  1  0.955166  0.215284  0.274008  1
  P  P259  1  0.684872  0.309828  0.325361  1
  P  P260  1  0.184872  0.309828  0.325361  1
  P  P261  1  0.696709  0.717815  0.295216  1
  P  P262  1  0.673186  0.956621  0.357732  1
  P  P263  1  0.196709  0.717815  0.295216  1
  P  P264  1  0.173186  0.956621  0.357732  1
  P  P265  1  0.422963  0.223104  0.334687  1
  P  P266  1  0.922963  0.223104  0.334687  1
  P  P267  1  0.433779  0.595290  0.300961  1
  P  P268  1  0.446383  0.988122  0.277858  1
  P  P269  1  0.933779  0.595290  0.300961  1
  P  P270  1  0.946383  0.988122  0.277858  1
  P  P271  1  0.670848  0.185473  0.354642  1
  P  P272  1  0.170848  0.185473  0.354642  1
  P  P273  1  0.679177  0.545851  0.318092  1
  P  P274  1  0.698161  0.943332  0.293615  1
  P  P275  1  0.179177  0.545851  0.318092  1
  P  P276  1  0.198161  0.943332  0.293615  1
  P  P277  1  0.506207  0.353076  0.352260  1
  P  P278  1  0.006207  0.353076  0.352260  1
  P  P279  1  0.519617  0.714828  0.320746  1
  P  P280  1  0.530628  0.113271  0.293248  1
  P  P281  1  0.019617  0.714828  0.320746  1
  P  P282  1  0.030628  0.113271  0.293248  1
  P  P283  1  0.764242  0.370642  0.335484  1
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  P  P864  1  0.126713  0.566869  0.637316  1
  P  P865  1  0.537568  0.631624  0.660725  1
  P  P866  1  0.037568  0.631624  0.660725  1
  P  P867  1  0.512558  0.878165  0.719262  1
  P  P868  1  0.527027  0.273102  0.694896  1
  P  P869  1  0.012558  0.878165  0.719262  1
  P  P870  1  0.027027  0.273102  0.694896  1
  P  P871  1  0.285435  0.750840  0.667426  1
  P  P872  1  0.785435  0.750840  0.667426  1
  P  P873  1  0.301599  0.143781  0.640213  1
  P  P874  1  0.264117  0.381693  0.702521  1
  P  P875  1  0.801599  0.143781  0.640213  1
  P  P876  1  0.764117  0.381693  0.702521  1
  P  P877  1  0.610148  0.914237  0.661005  1
  P  P878  1  0.110148  0.914237  0.661005  1
  P  P879  1  0.584295  0.160847  0.722949  1
  P  P880  1  0.605468  0.555955  0.702294  1
  P  P881  1  0.084295  0.160847  0.722949  1
  P  P882  1  0.105468  0.555955  0.702294  1
  P  P883  1  0.361329  0.813597  0.658809  1
  P  P884  1  0.861329  0.813597  0.658809  1
  P  P885  1  0.337897  0.051282  0.720347  1
  P  P886  1  0.349563  0.420867  0.692613  1
  P  P887  1  0.837897  0.051282  0.720347  1
  P  P888  1  0.849563  0.420867  0.692613  1
  P  P889  1  0.436465  0.561419  0.715447  1
  P  P890  1  0.936465  0.561419  0.715447  1
  P  P891  1  0.441449  0.929852  0.678161  1
  P  P892  1  0.460415  0.329418  0.648753  1
  P  P893  1  0.941449  0.929852  0.678161  1
  P  P894  1  0.960415  0.329418  0.648753  1
  P  P895  1  0.192030  0.744544  0.680557  1
  P  P896  1  0.692030  0.744544  0.680557  1
  P  P897  1  0.208762  0.152209  0.652841  1
  P  P898  1  0.168262  0.399949  0.719985  1
  P  P899  1  0.708762  0.152209  0.652841  1
  P  P900  1  0.668262  0.399949  0.719985  1
