# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22684977
_cell_length_b   49.66981503
_cell_length_c   50.43497081
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.04752652
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   15576.7941816
_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  0.311574  0.291988  0.341745  1
  Fe  Fe2  1  0.423642  0.607365  0.266682  1
  Fe  Fe3  1  0.351078  0.950354  0.303191  1
  Fe  Fe4  1  0.799400  0.106376  0.274009  1
  Fe  Fe5  1  0.792499  0.452900  0.312124  1
  Fe  Fe6  1  0.735146  0.795474  0.357202  1
  Fe  Fe7  1  0.836467  0.379225  0.270581  1
  Fe  Fe8  1  0.799998  0.723923  0.308126  1
  Fe  Fe9  1  0.736393  0.067353  0.349400  1
  Fe  Fe10  1  0.371658  0.220717  0.294585  1
  Fe  Fe11  1  0.339551  0.564713  0.337502  1
  Fe  Fe12  1  0.437317  0.871611  0.261972  1
  Fe  Fe13  1  0.511799  0.354854  0.369101  1
  Fe  Fe14  1  0.601218  0.659923  0.286181  1
  Fe  Fe15  1  0.535803  0.004075  0.323059  1
  Fe  Fe16  1  0.527473  0.178108  0.348954  1
  Fe  Fe17  1  0.626614  0.490076  0.271984  1
  Fe  Fe18  1  0.580734  0.837230  0.303663  1
  Fe  Fe19  1  0.160971  0.325572  0.467862  1
  Fe  Fe20  1  0.270490  0.636550  0.385300  1
  Fe  Fe21  1  0.208988  0.980686  0.425738  1
  Fe  Fe22  1  0.674674  0.141406  0.394193  1
  Fe  Fe23  1  0.637565  0.486095  0.437441  1
  Fe  Fe24  1  0.581441  0.830421  0.479101  1
  Fe  Fe25  1  0.691064  0.409646  0.390374  1
  Fe  Fe26  1  0.638286  0.753798  0.432709  1
  Fe  Fe27  1  0.583353  0.098330  0.473003  1
  Fe  Fe28  1  0.218188  0.252946  0.419983  1
  Fe  Fe29  1  0.175949  0.597471  0.462802  1
  Fe  Fe30  1  0.271595  0.908671  0.378147  1
  Fe  Fe31  1  0.359699  0.388294  0.494361  1
  Fe  Fe32  1  0.460149  0.699215  0.410581  1
  Fe  Fe33  1  0.405423  0.043487  0.451476  1
  Fe  Fe34  1  0.380643  0.211462  0.474059  1
  Fe  Fe35  1  0.492713  0.522788  0.391933  1
  Fe  Fe36  1  0.433584  0.866865  0.433296  1
  Fe  Fe37  1  0.014731  0.358806  0.594000  1
  Fe  Fe38  1  0.114463  0.670032  0.510598  1
  Fe  Fe39  1  0.063839  0.014698  0.551479  1
  Fe  Fe40  1  0.525294  0.174724  0.519812  1
  Fe  Fe41  1  0.483920  0.519580  0.562868  1
  Fe  Fe42  1  0.434893  0.864020  0.604271  1
  Fe  Fe43  1  0.539371  0.442966  0.515973  1
  Fe  Fe44  1  0.491326  0.787494  0.558148  1
  Fe  Fe45  1  0.432232  0.131750  0.598248  1
  Fe  Fe46  1  0.068605  0.286253  0.545729  1
  Fe  Fe47  1  0.022589  0.630852  0.588569  1
  Fe  Fe48  1  0.123736  0.941835  0.503601  1
  Fe  Fe49  1  0.209398  0.421880  0.619081  1
  Fe  Fe50  1  0.311337  0.732877  0.536723  1
  Fe  Fe51  1  0.257595  0.076679  0.576966  1
  Fe  Fe52  1  0.230858  0.244622  0.599383  1
  Fe  Fe53  1  0.337706  0.556162  0.517243  1
  Fe  Fe54  1  0.288270  0.900550  0.558428  1
  Fe  Fe55  1  0.898123  0.395299  0.717826  1
  Fe  Fe56  1  0.966391  0.703694  0.636022  1
  Fe  Fe57  1  0.924932  0.051005  0.680388  1
  Fe  Fe58  1  0.371081  0.207580  0.644941  1
  Fe  Fe59  1  0.320451  0.552173  0.689104  1
  Fe  Fe60  1  0.270618  0.899535  0.724210  1
  Fe  Fe61  1  0.387518  0.476465  0.640640  1
  Fe  Fe62  1  0.348143  0.820875  0.683513  1
  Fe  Fe63  1  0.288266  0.162522  0.718963  1
  Fe  Fe64  1  0.937281  0.318032  0.674078  1
  Fe  Fe65  1  0.896010  0.665318  0.712024  1
  Fe  Fe66  1  0.979096  0.975736  0.629115  1
  Fe  Fe67  1  0.075711  0.447631  0.736205  1
  Fe  Fe68  1  0.167039  0.766643  0.662287  1
  Fe  Fe69  1  0.114011  0.107435  0.699857  1
  Fe  Fe70  1  0.099749  0.280657  0.713817  1
  Fe  Fe71  1  0.182535  0.589413  0.643420  1
  Fe  Fe72  1  0.129766  0.933943  0.682332  1
  P  P73  1  0.995904  0.262373  0.344176  1
  P  P74  1  0.119100  0.576048  0.262486  1
  P  P75  1  0.036016  0.916974  0.302525  1
  P  P76  1  0.118656  0.081431  0.284308  1
  P  P77  1  0.083040  0.424513  0.328064  1
  P  P78  1  0.217618  0.738872  0.251178  1
  P  P79  1  0.154894  0.406829  0.266458  1
  P  P80  1  0.117199  0.754051  0.309992  1
  P  P81  1  0.054129  0.097036  0.347345  1
  P  P82  1  0.054175  0.245338  0.282554  1
  P  P83  1  0.033720  0.590185  0.324988  1
  P  P84  1  0.964860  0.933812  0.365186  1
  P  P85  1  0.549591  0.242638  0.257420  1
  P  P86  1  0.547735  0.583681  0.300169  1
  P  P87  1  0.471954  0.927893  0.340246  1
  P  P88  1  0.657084  0.415238  0.286060  1
  P  P89  1  0.611065  0.758600  0.330210  1
  P  P90  1  0.690776  0.072494  0.244643  1
  P  P91  1  0.476094  0.128281  0.259454  1
  P  P92  1  0.426208  0.470033  0.302769  1
  P  P93  1  0.390063  0.815141  0.342909  1
  P  P94  1  0.673547  0.316089  0.344452  1
  P  P95  1  0.756312  0.627774  0.256604  1
  P  P96  1  0.717748  0.971040  0.298055  1
  P  P97  1  0.706020  0.199239  0.307885  1
  P  P98  1  0.678682  0.543813  0.351463  1
  P  P99  1  0.770982  0.856691  0.264699  1
  P  P100  1  0.508979  0.355618  0.262862  1
  P  P101  1  0.433379  0.699919  0.304140  1
  P  P102  1  0.373843  0.042582  0.348281  1
  P  P103  1  0.197869  0.201920  0.332915  1
  P  P104  1  0.351912  0.514883  0.251485  1
  P  P105  1  0.232595  0.856078  0.293900  1
  P  P106  1  0.858422  0.377500  0.367615  1
  P  P107  1  0.932848  0.688709  0.281791  1
  P  P108  1  0.883555  0.033252  0.324166  1
  P  P109  1  0.859302  0.157240  0.357789  1
  P  P110  1  0.963863  0.470270  0.272955  1
  P  P111  1  0.899072  0.813412  0.318631  1
  P  P112  1  0.164834  0.326601  0.366148  1
  P  P113  1  0.239553  0.638787  0.285256  1
  P  P114  1  0.181318  0.981592  0.326365  1
  P  P115  1  0.407434  0.143954  0.321497  1
  P  P116  1  0.378547  0.488049  0.364575  1
  P  P117  1  0.475202  0.798508  0.279794  1
  P  P118  1  0.749249  0.300785  0.282313  1
  P  P119  1  0.711987  0.643890  0.324153  1
  P  P120  1  0.642329  0.987969  0.363010  1
  P  P121  1  0.767645  0.183833  0.247577  1
  P  P122  1  0.766830  0.528324  0.289044  1
  P  P123  1  0.690782  0.871860  0.329866  1
  P  P124  1  0.420364  0.371065  0.327263  1
  P  P125  1  0.362891  0.715802  0.369741  1
  P  P126  1  0.439086  0.026427  0.285376  1
  P  P127  1  0.246649  0.309022  0.301470  1
  P  P128  1  0.200587  0.655289  0.346257  1
  P  P129  1  0.238510  0.966040  0.263235  1
  P  P130  1  0.926501  0.142160  0.295969  1
  P  P131  1  0.893837  0.486151  0.339667  1
  P  P132  1  0.993878  0.799017  0.258183  1
  P  P133  1  0.930695  0.359888  0.307318  1
  P  P134  1  0.871014  0.704657  0.346892  1
  P  P135  1  0.945668  0.019488  0.263366  1
  P  P136  1  0.261541  0.186160  0.268681  1
  P  P137  1  0.240610  0.529227  0.313002  1
  P  P138  1  0.176397  0.872702  0.354129  1
  P  P139  1  0.504253  0.256333  0.320774  1
  P  P140  1  0.462944  0.601100  0.363067  1
  P  P141  1  0.526062  0.913054  0.276838  1
  P  P142  1  0.612060  0.086301  0.308861  1
  P  P143  1  0.589958  0.430865  0.350000  1
  P  P144  1  0.712068  0.743197  0.266340  1
  P  P145  1  0.844141  0.295571  0.469465  1
  P  P146  1  0.954549  0.606572  0.386786  1
  P  P147  1  0.892779  0.950583  0.427633  1
  P  P148  1  0.975427  0.113817  0.410181  1
  P  P149  1  0.936488  0.458644  0.453821  1
  P  P150  1  0.036131  0.769615  0.371193  1
  P  P151  1  0.012898  0.441810  0.390944  1
  P  P152  1  0.958851  0.786199  0.433298  1
  P  P153  1  0.904674  0.130452  0.473346  1
  P  P154  1  0.920990  0.279576  0.406555  1
  P  P155  1  0.877010  0.623676  0.449302  1
  P  P156  1  0.822883  0.967850  0.490251  1
  P  P157  1  0.423791  0.273265  0.383390  1
  P  P158  1  0.381327  0.617609  0.426088  1
  P  P159  1  0.325986  0.961888  0.466494  1
  P  P160  1  0.514643  0.447374  0.413499  1
  P  P161  1  0.459331  0.791706  0.456167  1
  P  P162  1  0.547191  0.102887  0.371329  1
  P  P163  1  0.325874  0.159824  0.385042  1
  P  P164  1  0.290477  0.504137  0.427958  1
  P  P165  1  0.233924  0.848553  0.469672  1
  P  P166  1  0.522539  0.349865  0.469548  1
  P  P167  1  0.631089  0.660765  0.386978  1
  P  P168  1  0.570432  0.005110  0.426644  1
  P  P169  1  0.563031  0.232635  0.433364  1
  P  P170  1  0.520429  0.577384  0.476647  1
  P  P171  1  0.614221  0.888365  0.392559  1
  P  P172  1  0.328818  0.388964  0.390789  1
  P  P173  1  0.275837  0.733068  0.433551  1
  P  P174  1  0.221309  0.077416  0.474305  1
  P  P175  1  0.050142  0.235035  0.458381  1
  P  P176  1  0.166282  0.546389  0.376136  1
  P  P177  1  0.105125  0.890615  0.417281  1
  P  P178  1  0.707866  0.411099  0.492443  1
  P  P179  1  0.807420  0.722008  0.408866  1
  P  P180  1  0.752832  0.066571  0.449348  1
  P  P181  1  0.711570  0.190814  0.483574  1
  P  P182  1  0.824593  0.502405  0.401563  1
  P  P183  1  0.766283  0.846632  0.443119  1
  P  P184  1  0.011241  0.359918  0.492499  1
  P  P185  1  0.116500  0.670945  0.409686  1
  P  P186  1  0.057327  0.015093  0.450584  1
  P  P187  1  0.260728  0.176901  0.447222  1
  P  P188  1  0.220092  0.521390  0.490241  1
  P  P189  1  0.316619  0.832226  0.406238  1
  P  P190  1  0.595012  0.333000  0.407099  1
  P  P191  1  0.548491  0.677488  0.449302  1
  P  P192  1  0.495883  0.021717  0.489477  1
  P  P193  1  0.636618  0.216109  0.370796  1
  P  P194  1  0.597921  0.560927  0.414039  1
  P  P195  1  0.539970  0.905100  0.455062  1
  P  P196  1  0.260799  0.404897  0.453743  1
  P  P197  1  0.209134  0.749367  0.496422  1
  P  P198  1  0.303573  0.060029  0.411260  1
  P  P199  1  0.086517  0.343387  0.428497  1
  P  P200  1  0.037373  0.687799  0.471416  1
  P  P201  1  0.126971  0.998681  0.387033  1
  P  P202  1  0.777143  0.175045  0.421671  1
  P  P203  1  0.735646  0.519860  0.465167  1
  P  P204  1  0.830031  0.831108  0.381916  1
  P  P205  1  0.772921  0.394125  0.430939  1
  P  P206  1  0.722787  0.738441  0.472958  1
  P  P207  1  0.816648  0.049380  0.388234  1
  P  P208  1  0.122187  0.217751  0.394741  1
  P  P209  1  0.083196  0.561970  0.437800  1
  P  P210  1  0.026258  0.906364  0.478900  1
  P  P211  1  0.349075  0.289571  0.446490  1
  P  P212  1  0.304061  0.634200  0.489163  1
  P  P213  1  0.399939  0.945361  0.403386  1
  P  P214  1  0.477606  0.120275  0.433748  1
  P  P215  1  0.438537  0.464748  0.476432  1
  P  P216  1  0.531883  0.775662  0.393618  1
  P  P217  1  0.698079  0.329060  0.595815  1
  P  P218  1  0.798222  0.639878  0.512160  1
  P  P219  1  0.748285  0.984229  0.552764  1
  P  P220  1  0.827158  0.147420  0.535862  1
  P  P221  1  0.784276  0.492218  0.579305  1
  P  P222  1  0.883690  0.803234  0.495850  1
  P  P223  1  0.861522  0.475198  0.516751  1
  P  P224  1  0.813585  0.819744  0.558948  1
  P  P225  1  0.754019  0.163670  0.598507  1
  P  P226  1  0.771668  0.312757  0.532495  1
  P  P227  1  0.724440  0.657069  0.575088  1
  P  P228  1  0.676697  0.001136  0.614945  1
  P  P229  1  0.274338  0.306783  0.509073  1
  P  P230  1  0.227759  0.651276  0.551763  1
  P  P231  1  0.179339  0.995825  0.592430  1
  P  P232  1  0.362309  0.480775  0.539426  1
  P  P233  1  0.314611  0.825395  0.581688  1
  P  P234  1  0.403602  0.136062  0.496593  1
  P  P235  1  0.178523  0.193105  0.510446  1
  P  P236  1  0.135855  0.537702  0.553457  1
  P  P237  1  0.087391  0.882114  0.594903  1
  P  P238  1  0.374501  0.383265  0.594951  1
  P  P239  1  0.475325  0.694414  0.512017  1
  P  P240  1  0.424512  0.038728  0.552238  1
  P  P241  1  0.413062  0.265903  0.558811  1
  P  P242  1  0.366139  0.610650  0.602302  1
  P  P243  1  0.467766  0.921647  0.517532  1
  P  P244  1  0.176681  0.422247  0.516790  1
  P  P245  1  0.128549  0.766788  0.559406  1
  P  P246  1  0.070888  0.110547  0.599998  1
  P  P247  1  0.899786  0.268408  0.584140  1
  P  P248  1  0.008153  0.579562  0.501326  1
  P  P249  1  0.957507  0.924020  0.542482  1
  P  P250  1  0.557932  0.444492  0.617461  1
  P  P251  1  0.659911  0.755702  0.534555  1
  P  P252  1  0.603613  0.100018  0.574503  1
  P  P253  1  0.561024  0.223816  0.608758  1
  P  P254  1  0.669113  0.535749  0.526943  1
  P  P255  1  0.619986  0.880175  0.568254  1
  P  P256  1  0.863827  0.393163  0.618100  1
  P  P257  1  0.963174  0.704321  0.535250  1
  P  P258  1  0.909676  0.048757  0.576440  1
  P  P259  1  0.109763  0.210184  0.572675  1
  P  P260  1  0.065770  0.554934  0.615831  1
  P  P261  1  0.167490  0.865835  0.531826  1
  P  P262  1  0.446646  0.366376  0.532368  1
  P  P263  1  0.399455  0.711019  0.574737  1
  P  P264  1  0.352614  0.055077  0.615246  1
  P  P265  1  0.487246  0.249492  0.496256  1
  P  P266  1  0.442290  0.594264  0.539546  1
  P  P267  1  0.394679  0.938754  0.580436  1
  P  P268  1  0.108565  0.438365  0.579167  1
  P  P269  1  0.063200  0.783244  0.621806  1
  P  P270  1  0.153270  0.093625  0.536941  1
  P  P271  1  0.936995  0.376581  0.554547  1
  P  P272  1  0.888490  0.721295  0.596879  1
  P  P273  1  0.983720  0.032189  0.512328  1
  P  P274  1  0.627337  0.208516  0.547075  1
  P  P275  1  0.582500  0.553382  0.590557  1
  P  P276  1  0.682788  0.864208  0.506575  1
  P  P277  1  0.622926  0.427342  0.556181  1
  P  P278  1  0.577484  0.772198  0.598431  1
  P  P279  1  0.668746  0.082802  0.513174  1
  P  P280  1  0.973522  0.251140  0.520221  1
  P  P281  1  0.928787  0.595615  0.563194  1
  P  P282  1  0.882492  0.940000  0.604320  1
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