# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.73458508
_cell_length_b   20.36995338
_cell_length_c   54.95645596
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   17614.2456247
_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  0.414765  0.154639  0.363747  1
  Fe  Fe2  1  0.427567  0.776230  0.322323  1
  Fe  Fe3  1  0.406550  0.405454  0.291376  1
  Fe  Fe4  1  0.910295  0.904116  0.304491  1
  Fe  Fe5  1  0.902601  0.529457  0.272672  1
  Fe  Fe6  1  0.904933  0.283377  0.339741  1
  Fe  Fe7  1  0.104569  0.970810  0.358834  1
  Fe  Fe8  1  0.107624  0.591537  0.320114  1
  Fe  Fe9  1  0.102297  0.215881  0.286881  1
  Fe  Fe10  1  0.591837  0.094525  0.306855  1
  Fe  Fe11  1  0.600539  0.691686  0.276181  1
  Fe  Fe12  1  0.597241  0.463020  0.342812  1
  Fe  Fe13  1  0.253885  0.880510  0.343559  1
  Fe  Fe14  1  0.258814  0.497964  0.305067  1
  Fe  Fe15  1  0.248715  0.128635  0.277474  1
  Fe  Fe16  1  0.763793  0.821293  0.292977  1
  Fe  Fe17  1  0.762956  0.568219  0.361999  1
  Fe  Fe18  1  0.758708  0.195538  0.325672  1
  Fe  Fe19  1  0.415583  0.286147  0.474768  1
  Fe  Fe20  1  0.416007  0.907283  0.436023  1
  Fe  Fe21  1  0.415851  0.531589  0.398696  1
  Fe  Fe22  1  0.910132  0.034452  0.415461  1
  Fe  Fe23  1  0.911924  0.656637  0.376757  1
  Fe  Fe24  1  0.909366  0.411556  0.452842  1
  Fe  Fe25  1  0.102945  0.099707  0.471338  1
  Fe  Fe26  1  0.104665  0.721426  0.432017  1
  Fe  Fe27  1  0.101057  0.346481  0.397616  1
  Fe  Fe28  1  0.597126  0.221319  0.419104  1
  Fe  Fe29  1  0.594586  0.844102  0.379836  1
  Fe  Fe30  1  0.598146  0.596178  0.454415  1
  Fe  Fe31  1  0.251166  0.011479  0.456035  1
  Fe  Fe32  1  0.252888  0.632576  0.417215  1
  Fe  Fe33  1  0.248724  0.259162  0.383041  1
  Fe  Fe34  1  0.762238  0.946592  0.400169  1
  Fe  Fe35  1  0.761678  0.697907  0.473373  1
  Fe  Fe36  1  0.760688  0.323423  0.437908  1
  Fe  Fe37  1  0.418191  0.414313  0.586627  1
  Fe  Fe38  1  0.415558  0.037711  0.548383  1
  Fe  Fe39  1  0.415085  0.660866  0.510396  1
  Fe  Fe40  1  0.910059  0.164795  0.527461  1
  Fe  Fe41  1  0.910053  0.786070  0.488301  1
  Fe  Fe42  1  0.910332  0.540992  0.564413  1
  Fe  Fe43  1  0.102919  0.228046  0.583927  1
  Fe  Fe44  1  0.103017  0.851473  0.544096  1
  Fe  Fe45  1  0.103457  0.476076  0.508790  1
  Fe  Fe46  1  0.598984  0.351591  0.531045  1
  Fe  Fe47  1  0.596412  0.972521  0.492092  1
  Fe  Fe48  1  0.595162  0.725295  0.565940  1
  Fe  Fe49  1  0.251108  0.140601  0.567616  1
  Fe  Fe50  1  0.251521  0.762657  0.529184  1
  Fe  Fe51  1  0.251685  0.388445  0.493912  1
  Fe  Fe52  1  0.761983  0.076625  0.512272  1
  Fe  Fe53  1  0.760880  0.829138  0.585180  1
  Fe  Fe54  1  0.761398  0.452494  0.549376  1
  Fe  Fe55  1  0.403582  0.547959  0.692013  1
  Fe  Fe56  1  0.411386  0.175273  0.660250  1
  Fe  Fe57  1  0.405560  0.794358  0.624120  1
  Fe  Fe58  1  0.914763  0.295685  0.640743  1
  Fe  Fe59  1  0.909158  0.917123  0.599938  1
  Fe  Fe60  1  0.906542  0.671661  0.672480  1
  Fe  Fe61  1  0.100594  0.384676  0.688794  1
  Fe  Fe62  1  0.091880  0.983065  0.657337  1
  Fe  Fe63  1  0.103496  0.608267  0.620625  1
  Fe  Fe64  1  0.607996  0.487381  0.643686  1
  Fe  Fe65  1  0.598403  0.100203  0.604926  1
  Fe  Fe66  1  0.602753  0.862763  0.677378  1
  Fe  Fe67  1  0.266424  0.257142  0.671990  1
  Fe  Fe68  1  0.259699  0.881509  0.638558  1
  Fe  Fe69  1  0.251220  0.519786  0.605534  1
  Fe  Fe70  1  0.765194  0.209521  0.624527  1
  Fe  Fe71  1  0.748367  0.949086  0.686971  1
  Fe  Fe72  1  0.757540  0.578301  0.659034  1
  P  P73  1  0.509005  0.941892  0.271769  1
  P  P74  1  0.507663  0.689503  0.340838  1
  P  P75  1  0.499177  0.312154  0.304562  1
  P  P76  1  1.000689  0.998309  0.291373  1
  P  P77  1  0.007626  0.748326  0.363290  1
  P  P78  1  1.001134  0.375361  0.327271  1
  P  P79  1  1.006166  0.062413  0.346764  1
  P  P80  1  0.011864  0.683689  0.306439  1
  P  P81  1  0.014766  0.311531  0.273290  1
  P  P82  1  0.504653  1.005656  0.323694  1
  P  P83  1  0.503807  0.619545  0.286471  1
  P  P84  1  0.505348  0.378216  0.359210  1
  P  P85  1  0.508372  0.851721  0.343946  1
  P  P86  1  0.508836  0.470419  0.307424  1
  P  P87  1  0.501068  0.104733  0.272100  1
  P  P88  1  1.003167  0.836088  0.281396  1
  P  P89  1  0.007473  0.585952  0.354826  1
  P  P90  1  1.003390  0.211904  0.320563  1
  P  P91  1  0.849865  0.184095  0.359053  1
  P  P92  1  0.857577  0.804596  0.323002  1
  P  P93  1  0.846910  0.431523  0.279689  1
  P  P94  1  0.350458  0.877528  0.307139  1
  P  P95  1  0.353202  0.502321  0.269701  1
  P  P96  1  0.346796  0.257563  0.348018  1
  P  P97  1  0.663500  0.947344  0.364867  1
  P  P98  1  0.663371  0.568124  0.327148  1
  P  P99  1  0.661479  0.196984  0.290401  1
  P  P100  1  0.152268  0.114014  0.305742  1
  P  P101  1  0.169520  0.748433  0.268520  1
  P  P102  1  0.161372  0.492340  0.338476  1
  P  P103  1  0.684264  0.094802  0.340868  1
  P  P104  1  0.680968  0.721132  0.306932  1
  P  P105  1  0.654731  0.351967  0.269145  1
  P  P106  1  0.188553  0.972956  0.325922  1
  P  P107  1  0.190761  0.595501  0.285904  1
  P  P108  1  0.181366  0.351108  0.364010  1
  P  P109  1  0.823017  0.915738  0.270142  1
  P  P110  1  0.829820  0.660850  0.343680  1
  P  P111  1  0.826541  0.286529  0.304529  1
  P  P112  1  0.324078  0.030254  0.283667  1
  P  P113  1  0.331701  0.780882  0.357779  1
  P  P114  1  0.325745  0.401722  0.323922  1
  P  P115  1  0.847501  0.120496  0.302799  1
  P  P116  1  0.830366  0.752917  0.265937  1
  P  P117  1  0.849373  0.494753  0.338577  1
  P  P118  1  0.351504  0.945063  0.364381  1
  P  P119  1  0.350788  0.565774  0.326861  1
  P  P120  1  0.344348  0.195438  0.292969  1
  P  P121  1  0.663700  0.884928  0.309003  1
  P  P122  1  0.663103  0.509757  0.272396  1
  P  P123  1  0.661695  0.260896  0.346493  1
  P  P124  1  0.163002  0.184751  0.359443  1
  P  P125  1  0.164417  0.806284  0.322145  1
  P  P126  1  0.165540  0.429915  0.282751  1
  P  P127  1  0.326994  0.091282  0.341295  1
  P  P128  1  0.332375  0.712793  0.302570  1
  P  P129  1  0.331621  0.340408  0.266601  1
  P  P130  1  0.828683  0.974371  0.327983  1
  P  P131  1  0.822250  0.603785  0.289569  1
  P  P132  1  0.827076  0.349341  0.364303  1
  P  P133  1  0.179555  0.910508  0.274073  1
  P  P134  1  0.187992  0.657932  0.343687  1
  P  P135  1  0.182373  0.285955  0.309603  1
  P  P136  1  0.682239  0.032114  0.285100  1
  P  P137  1  0.688722  0.782269  0.360016  1
  P  P138  1  0.690598  0.403029  0.321583  1
  P  P139  1  0.511954  0.785386  0.284840  1
  P  P140  1  0.508321  0.539468  0.364047  1
  P  P141  1  0.506259  0.166605  0.329135  1
  P  P142  1  0.009035  0.899625  0.338485  1
  P  P143  1  0.009030  0.521729  0.298741  1
  P  P144  1  0.012719  0.151853  0.263299  1
  P  P145  1  0.507296  0.068806  0.378879  1
  P  P146  1  0.507080  0.820186  0.451460  1
  P  P147  1  0.506890  0.443965  0.414533  1
  P  P148  1  1.003477  0.127808  0.402027  1
  P  P149  1  1.005041  0.878588  0.474964  1
  P  P150  1  1.004661  0.503152  0.438724  1
  P  P151  1  0.007638  0.191805  0.457894  1
  P  P152  1  0.009361  0.813915  0.418982  1
  P  P153  1  0.008389  0.439246  0.383021  1
  P  P154  1  0.505564  0.133525  0.434265  1
  P  P155  1  0.506577  0.756026  0.395683  1
  P  P156  1  0.506676  0.508692  0.470153  1
  P  P157  1  0.504501  0.983475  0.457909  1
  P  P158  1  0.505695  0.606408  0.420138  1
  P  P159  1  0.503353  0.231869  0.385124  1
  P  P160  1  0.007546  0.964856  0.394603  1
  P  P161  1  0.007035  0.715749  0.467267  1
  P  P162  1  1.005539  0.340751  0.432064  1
  P  P163  1  0.852094  0.312538  0.471304  1
  P  P164  1  0.852894  0.935618  0.433794  1
  P  P165  1  0.854012  0.557446  0.395036  1
  P  P166  1  0.349529  0.010966  0.420426  1
  P  P167  1  0.351224  0.634308  0.382396  1
  P  P168  1  0.349984  0.389691  0.458989  1
  P  P169  1  0.663062  0.076498  0.476798  1
  P  P170  1  0.663450  0.699612  0.438385  1
  P  P171  1  0.662742  0.324323  0.402777  1
  P  P172  1  0.158394  0.247182  0.415775  1
  P  P173  1  0.162500  0.871295  0.377729  1
  P  P174  1  0.161291  0.622469  0.450694  1
  P  P175  1  0.684875  0.223128  0.452900  1
  P  P176  1  0.685031  0.846953  0.414896  1
  P  P177  1  0.685539  0.468869  0.377284  1
  P  P178  1  0.183604  0.103094  0.437397  1
  P  P179  1  0.186154  0.725464  0.398303  1
  P  P180  1  0.184401  0.480738  0.475056  1
  P  P181  1  0.827925  0.040216  0.382077  1
  P  P182  1  0.828877  0.790675  0.454794  1
  P  P183  1  0.828660  0.415266  0.418942  1
  P  P184  1  0.326618  0.158476  0.397458  1
  P  P185  1  0.327857  0.910529  0.470249  1
  P  P186  1  0.328381  0.533431  0.432952  1
  P  P187  1  0.847703  0.249233  0.415110  1
  P  P188  1  0.850134  0.873693  0.377384  1
  P  P189  1  0.849002  0.624298  0.450430  1
  P  P190  1  0.348877  0.077228  0.476440  1
  P  P191  1  0.349748  0.699108  0.438378  1
  P  P192  1  0.347358  0.325425  0.403291  1
  P  P193  1  0.663873  0.012770  0.420853  1
  P  P194  1  0.665171  0.634562  0.382659  1
  P  P195  1  0.663901  0.390206  0.458675  1
  P  P196  1  0.164632  0.314749  0.470784  1
  P  P197  1  0.164428  0.937231  0.433341  1
  P  P198  1  0.164900  0.559381  0.394314  1
  P  P199  1  0.327307  0.223341  0.452182  1
  P  P200  1  0.327798  0.844325  0.413714  1
  P  P201  1  0.326509  0.468450  0.377149  1
  P  P202  1  0.827473  0.102429  0.438979  1
  P  P203  1  0.830179  0.724721  0.400575  1
  P  P204  1  0.828331  0.479346  0.475968  1
  P  P205  1  0.185732  0.037124  0.382709  1
  P  P206  1  0.185570  0.788885  0.455780  1
  P  P207  1  0.183658  0.414985  0.420797  1
  P  P208  1  0.684541  0.158898  0.396191  1
  P  P209  1  0.685558  0.910290  0.469876  1
  P  P210  1  0.686369  0.533249  0.432148  1
  P  P211  1  0.508278  0.918310  0.401719  1
  P  P212  1  0.508744  0.671268  0.476277  1
  P  P213  1  0.508279  0.297163  0.440850  1
  P  P214  1  1.005951  0.029388  0.450665  1
  P  P215  1  0.007954  0.650355  0.411463  1
  P  P216  1  1.004057  0.276773  0.375859  1
  P  P217  1  0.506968  0.198248  0.489916  1
  P  P218  1  0.506739  0.949273  0.562848  1
  P  P219  1  0.506689  0.573306  0.525817  1
  P  P220  1  1.004827  0.256778  0.513581  1
  P  P221  1  1.005857  1.007706  0.586281  1
  P  P222  1  1.004709  0.632764  0.549990  1
  P  P223  1  0.009068  0.320689  0.569426  1
  P  P224  1  0.007783  0.943500  0.530660  1
  P  P225  1  0.008898  0.567987  0.494390  1
  P  P226  1  0.507324  0.262748  0.545733  1
  P  P227  1  0.505540  0.885022  0.507144  1
  P  P228  1  0.505489  0.637165  0.581461  1
  P  P229  1  0.505127  0.113302  0.570211  1
  P  P230  1  0.503959  0.736478  0.532138  1
  P  P231  1  0.504525  0.361786  0.496920  1
  P  P232  1  0.006754  0.094607  0.506681  1
  P  P233  1  1.005843  0.845529  0.579078  1
  P  P234  1  0.007225  0.470571  0.543746  1
  P  P235  1  0.853373  0.442234  0.582656  1
  P  P236  1  0.852499  0.065988  0.545944  1
  P  P237  1  0.852758  0.687008  0.506688  1
  P  P238  1  0.350209  0.141368  0.532438  1
  P  P239  1  0.349893  0.763907  0.494130  1
  P  P240  1  0.351231  0.518751  0.570738  1
  P  P241  1  0.664979  0.204981  0.588491  1
  P  P242  1  0.661336  0.829258  0.550204  1
  P  P243  1  0.663439  0.454238  0.514532  1
  P  P244  1  0.160974  0.376980  0.527201  1
  P  P245  1  0.160235  1.000361  0.489532  1
  P  P246  1  0.160489  0.752370  0.562531  1
  P  P247  1  0.686649  0.352474  0.564842  1
  P  P248  1  0.684958  0.975643  0.526239  1
  P  P249  1  0.685548  0.598018  0.488479  1
  P  P250  1  0.183953  0.232446  0.549161  1
  P  P251  1  0.184238  0.855199  0.510427  1
  P  P252  1  0.184145  0.610329  0.586288  1
  P  P253  1  0.828747  0.168652  0.493554  1
  P  P254  1  0.828385  0.920266  0.566086  1
  P  P255  1  0.829275  0.544748  0.530446  1
  P  P256  1  0.327793  0.287820  0.508597  1
  P  P257  1  0.326171  0.039889  0.581843  1
  P  P258  1  0.327694  0.662759  0.544469  1
  P  P259  1  0.848979  0.379273  0.526508  1
  P  P260  1  0.848561  1.002709  0.489391  1
  P  P261  1  0.846980  0.754582  0.561863  1
  P  P262  1  0.349716  0.205622  0.588399  1
  P  P263  1  0.348411  0.829207  0.549858  1
  P  P264  1  0.349165  0.455060  0.514793  1
  P  P265  1  0.664021  0.142487  0.532499  1
  P  P266  1  0.664233  0.764407  0.494364  1
  P  P267  1  0.664329  0.519355  0.570374  1
  P  P268  1  0.165531  0.444760  0.582255  1
  P  P269  1  0.163955  0.067360  0.544716  1
  P  P270  1  0.164608  0.688992  0.506301  1
  P  P271  1  0.329899  0.351927  0.563557  1
  P  P272  1  0.327372  0.975079  0.525525  1
  P  P273  1  0.327758  0.597859  0.487940  1
  P  P274  1  0.828053  0.232884  0.550465  1
  P  P275  1  0.827794  0.854086  0.511768  1
  P  P276  1  0.827501  0.609329  0.586788  1
  P  P277  1  0.185207  0.167441  0.494385  1
  P  P278  1  0.184490  0.918969  0.567736  1
  P  P279  1  0.185322  0.544220  0.531909  1
  P  P280  1  0.685346  0.288381  0.507987  1
  P  P281  1  0.685444  0.039371  0.581433  1
  P  P282  1  0.684395  0.662419  0.543424  1
  P  P283  1  0.508162  0.048546  0.514083  1
  P  P284  1  0.505959  0.800620  0.588610  1
  P  P285  1  0.509628  0.427102  0.552769  1
  P  P286  1  1.006102  0.159691  0.562953  1
  P  P287  1  0.006343  0.780498  0.523306  1
  P  P288  1  0.006637  0.405917  0.487792  1
  P  P289  1  0.510856  0.327851  0.601228  1
  P  P290  1  0.499545  0.079566  0.673319  1
  P  P291  1  0.502185  0.702742  0.636958  1
  P  P292  1  1.006099  0.386501  0.624422  1
  P  P293  1  0.012198  0.135959  0.693280  1
  P  P294  1  1.000829  0.764569  0.660240  1
  P  P295  1  1.003187  0.457024  0.678557  1
  P  P296  1  1.003670  0.071905  0.641328  1
  P  P297  1  0.007437  0.697852  0.605514  1
  P  P298  1  0.513408  0.394423  0.658000  1
  P  P299  1  0.503039  0.014281  0.617972  1
  P  P300  1  0.515689  0.766295  0.691041  1
  P  P301  1  0.504592  0.242448  0.683794  1
  P  P302  1  0.503683  0.865753  0.643970  1
  P  P303  1  0.505560  0.491400  0.609638  1
  P  P304  1  0.009505  0.226024  0.620378  1
  P  P305  1  1.002020  0.972771  0.692357  1
  P  P306  1  0.008630  0.605870  0.656199  1
  P  P307  1  0.852806  0.574679  0.694226  1
  P  P308  1  0.851541  0.199326  0.659749  1
  P  P309  1  0.851336  0.817227  0.617917  1
  P  P310  1  0.360319  0.276208  0.642006  1
  P  P311  1  0.350820  0.894498  0.605036  1
  P  P312  1  0.347761  0.646129  0.685101  1
  P  P313  1  0.676335  0.324827  0.697176  1
  P  P314  1  0.651491  0.966515  0.658975  1
  P  P315  1  0.660188  0.586740  0.625445  1
  P  P316  1  0.160270  0.507096  0.638226  1
  P  P317  1  0.159918  0.128147  0.601454  1
  P  P318  1  0.161966  0.880614  0.673886  1
  P  P319  1  0.689821  0.480469  0.678277  1
  P  P320  1  0.690162  0.107386  0.637583  1
  P  P321  1  0.683042  0.728859  0.599479  1
  P  P322  1  0.184816  0.357481  0.658516  1
  P  P323  1  0.184770  0.981658  0.623428  1
  P  P324  1  0.158460  0.725976  0.695429  1
  P  P325  1  0.831568  0.298881  0.605576  1
  P  P326  1  0.824644  0.046629  0.680595  1
  P  P327  1  0.824832  0.674255  0.640206  1
  P  P328  1  0.328911  0.419428  0.619594  1
  P  P329  1  0.323967  0.162295  0.694684  1
  P  P330  1  0.327179  0.790211  0.659464  1
  P  P331  1  0.850014  0.511541  0.637315  1
  P  P332  1  0.850937  0.135166  0.601424  1
  P  P333  1  0.844310  0.882718  0.671508  1
  P  P334  1  0.331755  0.324922  0.699651  1
  P  P335  1  0.347532  0.956573  0.661641  1
  P  P336  1  0.348962  0.584920  0.626605  1
  P  P337  1  0.664646  0.273420  0.643335  1
  P  P338  1  0.663381  0.894457  0.605936  1
  P  P339  1  0.665758  0.647178  0.681581  1
  P  P340  1  0.163965  0.567749  0.691592  1
  P  P341  1  0.165554  0.194472  0.655962  1
  P  P342  1  0.162623  0.817570  0.617925  1
  P  P343  1  0.324298  0.473535  0.674681  1
  P  P344  1  0.328970  0.104011  0.636789  1
  P  P345  1  0.327095  0.728170  0.599755  1
  P  P346  1  0.831621  0.365778  0.661644  1
  P  P347  1  0.827291  0.985782  0.622832  1
  P  P348  1  0.831794  0.736837  0.697269  1
  P  P349  1  0.187685  0.296508  0.605053  1
  P  P350  1  0.182820  0.045877  0.678881  1
  P  P351  1  0.188691  0.675046  0.642672  1
  P  P352  1  0.687498  0.420227  0.619999  1
  P  P353  1  0.677225  0.162929  0.690547  1
  P  P354  1  0.682774  0.791802  0.654699  1
  P  P355  1  0.510893  0.177979  0.626617  1
  P  P356  1  0.512672  0.925831  0.701228  1
  P  P357  1  0.509337  0.556210  0.665646  1
  P  P358  1  0.011327  0.292694  0.678027  1
  P  P359  1  1.005855  0.910881  0.635117  1
  P  P360  1  0.006517  0.537171  0.599734  1
