# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.57620059
_cell_length_b   17.17806169
_cell_length_c   49.12372321
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.49426693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   17491.9025838
_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  0.074112  0.869780  0.358490  1
  Fe  Fe2  1  0.666936  0.417870  0.308174  1
  Fe  Fe3  1  0.329323  0.094872  0.304041  1
  Fe  Fe4  1  0.834655  0.117754  0.338992  1
  Fe  Fe5  1  0.499060  0.780024  0.339227  1
  Fe  Fe6  1  0.089864  0.319386  0.293074  1
  Fe  Fe7  1  0.884012  0.388583  0.373985  1
  Fe  Fe8  1  0.388638  0.797857  0.270656  1
  Fe  Fe9  1  0.140991  0.594083  0.321120  1
  Fe  Fe10  1  0.976771  0.867705  0.293018  1
  Fe  Fe11  1  0.714870  0.683710  0.341628  1
  Fe  Fe12  1  0.379356  0.348484  0.339212  1
  Fe  Fe13  1  0.849712  0.526461  0.394143  1
  Fe  Fe14  1  0.365097  0.929120  0.286402  1
  Fe  Fe15  1  0.104797  0.729737  0.338763  1
  Fe  Fe16  1  0.850040  0.030198  0.389959  1
  Fe  Fe17  1  0.367461  0.431496  0.293541  1
  Fe  Fe18  1  0.106579  0.231148  0.339737  1
  Fe  Fe19  1  0.222027  0.122543  0.469110  1
  Fe  Fe20  1  0.816180  0.668004  0.414619  1
  Fe  Fe21  1  0.480367  0.330317  0.413814  1
  Fe  Fe22  1  0.984553  0.369280  0.450374  1
  Fe  Fe23  1  0.647458  0.029174  0.449522  1
  Fe  Fe24  1  0.240418  0.576205  0.391159  1
  Fe  Fe25  1  0.032531  0.640499  0.486463  1
  Fe  Fe26  1  0.546161  0.048937  0.372996  1
  Fe  Fe27  1  0.288555  0.843529  0.430192  1
  Fe  Fe28  1  0.120451  0.142266  0.393154  1
  Fe  Fe29  1  0.864936  0.935372  0.453379  1
  Fe  Fe30  1  0.529628  0.597680  0.453152  1
  Fe  Fe31  1  0.999782  0.780214  0.506455  1
  Fe  Fe32  1  0.513379  0.189289  0.393346  1
  Fe  Fe33  1  0.255312  0.983896  0.449559  1
  Fe  Fe34  1  0.998842  0.283428  0.502517  1
  Fe  Fe35  1  0.513750  0.693573  0.390180  1
  Fe  Fe36  1  0.254956  0.479234  0.453972  1
  Fe  Fe37  1  0.371901  0.373111  0.581069  1
  Fe  Fe38  1  0.965699  0.919635  0.526346  1
  Fe  Fe39  1  0.630343  0.581775  0.525649  1
  Fe  Fe40  1  0.134011  0.623805  0.558352  1
  Fe  Fe41  1  0.797962  0.285973  0.557822  1
  Fe  Fe42  1  0.390239  0.827679  0.503048  1
  Fe  Fe43  1  0.181374  0.889816  0.598715  1
  Fe  Fe44  1  0.696051  0.301425  0.485353  1
  Fe  Fe45  1  0.439321  0.095327  0.541933  1
  Fe  Fe46  1  0.270230  0.393338  0.505357  1
  Fe  Fe47  1  0.012688  0.185560  0.565823  1
  Fe  Fe48  1  0.680775  0.848807  0.564506  1
  Fe  Fe49  1  0.150016  0.030801  0.618705  1
  Fe  Fe50  1  0.662497  0.440401  0.505592  1
  Fe  Fe51  1  0.405769  0.234840  0.561431  1
  Fe  Fe52  1  0.147848  0.527604  0.622167  1
  Fe  Fe53  1  0.664751  0.944059  0.500846  1
  Fe  Fe54  1  0.405064  0.730567  0.564611  1
  Fe  Fe55  1  0.523996  0.629649  0.687479  1
  Fe  Fe56  1  0.116268  0.170852  0.638425  1
  Fe  Fe57  1  0.780036  0.832205  0.638195  1
  Fe  Fe58  1  0.284772  0.872605  0.671958  1
  Fe  Fe59  1  0.945756  0.535934  0.669317  1
  Fe  Fe60  1  0.540333  0.075444  0.617687  1
  Fe  Fe61  1  0.328287  0.140459  0.704296  1
  Fe  Fe62  1  0.846309  0.554247  0.596977  1
  Fe  Fe63  1  0.586965  0.345443  0.655755  1
  Fe  Fe64  1  0.420641  0.645285  0.616015  1
  Fe  Fe65  1  0.172603  0.448219  0.672468  1
  Fe  Fe66  1  0.820842  0.101425  0.665931  1
  Fe  Fe67  1  0.300691  0.271450  0.719856  1
  Fe  Fe68  1  0.812042  0.692569  0.618134  1
  Fe  Fe69  1  0.555731  0.487656  0.672633  1
  Fe  Fe70  1  0.300170  0.789763  0.716835  1
  Fe  Fe71  1  0.813873  0.190614  0.618976  1
  Fe  Fe72  1  0.555776  0.987256  0.669057  1
  P  P73  1  0.978853  0.880804  0.369162  1
  P  P74  1  0.574973  0.427221  0.313754  1
  P  P75  1  0.234716  0.087303  0.317328  1
  P  P76  1  0.904120  0.254068  0.309852  1
  P  P77  1  0.563541  0.913585  0.308616  1
  P  P78  1  0.307880  0.708033  0.363883  1
  P  P79  1  0.978160  0.379119  0.364544  1
  P  P80  1  0.641255  0.041134  0.363025  1
  P  P81  1  0.232452  0.583203  0.308111  1
  P  P82  1  0.895680  0.749231  0.314093  1
  P  P83  1  0.647375  0.551479  0.369194  1
  P  P84  1  0.161655  0.975300  0.263233  1
  P  P85  1  0.807536  0.709867  0.368733  1
  P  P86  1  0.316640  0.141406  0.260400  1
  P  P87  1  0.068533  0.914205  0.313595  1
  P  P88  1  0.814116  0.216203  0.365249  1
  P  P89  1  0.478020  0.878132  0.364989  1
  P  P90  1  0.072771  0.424577  0.308563  1
  P  P91  1  0.009818  0.191623  0.310540  1
  P  P92  1  0.755681  0.992511  0.365476  1
  P  P93  1  0.418417  0.652640  0.365419  1
  P  P94  1  0.762670  0.429135  0.292066  1
  P  P95  1  0.427633  0.097371  0.288520  1
  P  P96  1  0.177267  0.892671  0.347052  1
  P  P97  1  0.787317  0.808236  0.311950  1
  P  P98  1  0.463251  0.481216  0.313190  1
  P  P99  1  0.200927  0.264910  0.365234  1
  P  P100  1  0.035722  0.569344  0.327271  1
  P  P101  1  0.780727  0.363791  0.385422  1
  P  P102  1  0.290515  0.772531  0.269757  1
  P  P103  1  0.029145  0.098804  0.366396  1
  P  P104  1  0.627390  0.651348  0.313215  1
  P  P105  1  0.287158  0.297261  0.309991  1
  P  P106  1  0.952455  0.539424  0.384579  1
  P  P107  1  0.464267  0.946864  0.269327  1
  P  P108  1  0.209748  0.745767  0.327128  1
  P  P109  1  0.926528  0.161145  0.365333  1
  P  P110  1  0.589773  0.822325  0.364542  1
  P  P111  1  0.185238  0.361476  0.308641  1
  P  P112  1  1.002454  0.718762  0.347505  1
  P  P113  1  0.602573  0.268512  0.292429  1
  P  P114  1  0.267617  0.935847  0.289646  1
  P  P115  1  0.091817  0.327397  0.366649  1
  P  P116  1  0.680535  0.870046  0.311726  1
  P  P117  1  0.347406  0.532118  0.309465  1
  P  P118  1  0.836377  0.554898  0.348544  1
  P  P119  1  0.507919  0.225626  0.347522  1
  P  P120  1  0.099038  0.763618  0.291906  1
  P  P121  1  0.864928  0.931203  0.365878  1
  P  P122  1  0.386354  0.371790  0.257315  1
  P  P123  1  0.119191  0.131943  0.310534  1
  P  P124  1  0.116228  0.699637  0.384206  1
  P  P125  1  0.705236  0.237590  0.329565  1
  P  P126  1  0.373724  0.909330  0.330055  1
  P  P127  1  0.934703  0.606900  0.293401  1
  P  P128  1  0.676343  0.391483  0.350913  1
  P  P129  1  0.344668  0.061685  0.347491  1
  P  P130  1  0.847042  0.029026  0.309319  1
  P  P131  1  0.512289  0.694859  0.308603  1
  P  P132  1  0.252327  0.482210  0.363943  1
  P  P133  1  0.871176  0.408402  0.328442  1
  P  P134  1  0.533816  0.069928  0.327316  1
  P  P135  1  0.278000  0.863949  0.384883  1
  P  P136  1  0.957499  0.971878  0.310150  1
  P  P137  1  0.700305  0.774542  0.369495  1
  P  P138  1  0.366352  0.438116  0.368652  1
  P  P139  1  0.732827  0.585346  0.311124  1
  P  P140  1  0.406997  0.257990  0.311742  1
  P  P141  1  0.138604  0.041105  0.368229  1
  P  P142  1  0.743686  0.093052  0.309441  1
  P  P143  1  0.403456  0.752031  0.310172  1
  P  P144  1  0.145247  0.546871  0.364888  1
  P  P145  1  0.128529  0.133949  0.479195  1
  P  P146  1  0.721742  0.678463  0.425054  1
  P  P147  1  0.387970  0.343534  0.424284  1
  P  P148  1  0.051808  0.502699  0.420989  1
  P  P149  1  0.715257  0.163954  0.419924  1
  P  P150  1  0.458795  0.959731  0.475365  1
  P  P151  1  0.125750  0.628847  0.476645  1
  P  P152  1  0.790416  0.292552  0.475215  1
  P  P153  1  0.381535  0.830591  0.420309  1
  P  P154  1  0.052600  0.008938  0.423811  1
  P  P155  1  0.797232  0.803399  0.480592  1
  P  P156  1  0.314606  0.218344  0.368858  1
  P  P157  1  0.958924  0.963415  0.480016  1
  P  P158  1  0.474916  0.376854  0.368072  1
  P  P159  1  0.214773  0.167742  0.422949  1
  P  P160  1  0.963681  0.467714  0.476966  1
  P  P161  1  0.628447  0.129381  0.476219  1
  P  P162  1  0.221171  0.671262  0.421238  1
  P  P163  1  0.164936  0.451528  0.422176  1
  P  P164  1  0.905033  0.244962  0.477299  1
  P  P165  1  0.568720  0.905650  0.476623  1
  P  P166  1  0.917905  0.688157  0.403594  1
  P  P167  1  0.582259  0.351471  0.403371  1
  P  P168  1  0.325316  0.146908  0.458301  1
  P  P169  1  0.939859  0.059715  0.422209  1
  P  P170  1  0.603949  0.723857  0.422773  1
  P  P171  1  0.350762  0.517109  0.477891  1
  P  P172  1  0.186045  0.820851  0.441009  1
  P  P173  1  0.930026  0.617757  0.497232  1
  P  P174  1  0.444555  0.027319  0.385477  1
  P  P175  1  0.177803  0.350870  0.479602  1
  P  P176  1  0.777696  0.902246  0.423293  1
  P  P177  1  0.441993  0.564042  0.422994  1
  P  P178  1  0.101591  0.791887  0.496860  1
  P  P179  1  0.614852  0.199525  0.383725  1
  P  P180  1  0.358073  0.995892  0.440178  1
  P  P181  1  0.075286  0.411437  0.476897  1
  P  P182  1  0.739702  0.072943  0.475448  1
  P  P183  1  0.328069  0.608682  0.420777  1
  P  P184  1  0.152563  0.971312  0.459056  1
  P  P185  1  0.748159  0.515613  0.405348  1
  P  P186  1  0.412321  0.179045  0.403467  1
  P  P187  1  0.241466  0.579938  0.477681  1
  P  P188  1  0.832446  0.120450  0.420887  1
  P  P189  1  0.497593  0.783650  0.420614  1
  P  P190  1  0.988019  0.810458  0.460354  1
  P  P191  1  0.656478  0.477636  0.459762  1
  P  P192  1  0.245934  0.015523  0.403430  1
  P  P193  1  0.013391  0.183124  0.478404  1
  P  P194  1  0.533412  0.598931  0.367166  1
  P  P195  1  0.269736  0.388061  0.422926  1
  P  P196  1  0.266378  0.953412  0.495627  1
  P  P197  1  0.856729  0.491659  0.440373  1
  P  P198  1  0.524251  0.157936  0.439490  1
  P  P199  1  0.083155  0.849366  0.403579  1
  P  P200  1  0.825663  0.645218  0.459840  1
  P  P201  1  0.491459  0.308577  0.459126  1
  P  P202  1  0.996708  0.279224  0.421373  1
  P  P203  1  0.662447  0.943059  0.420086  1
  P  P204  1  0.402285  0.733786  0.475856  1
  P  P205  1  0.020823  0.659604  0.441082  1
  P  P206  1  0.686890  0.323596  0.440160  1
  P  P207  1  0.428630  0.116178  0.496258  1
  P  P208  1  0.108297  0.231338  0.422600  1
  P  P209  1  0.850819  0.026934  0.480360  1
  P  P210  1  0.516556  0.691080  0.479664  1
  P  P211  1  0.883331  0.839247  0.423493  1
  P  P212  1  0.549667  0.503130  0.423638  1
  P  P213  1  0.289505  0.293727  0.478636  1
  P  P214  1  0.890433  0.342721  0.420574  1
  P  P215  1  0.554642  0.004801  0.419753  1
  P  P216  1  0.295928  0.800289  0.476366  1
  P  P217  1  0.278458  0.385031  0.590667  1
  P  P218  1  0.871581  0.930439  0.536657  1
  P  P219  1  0.537667  0.594435  0.535329  1
  P  P220  1  0.202773  0.755814  0.531827  1
  P  P221  1  0.865631  0.417593  0.530809  1
  P  P222  1  0.607250  0.208582  0.587397  1
  P  P223  1  0.275247  0.878203  0.587960  1
  P  P224  1  0.939717  0.542674  0.586037  1
  P  P225  1  0.531976  0.082151  0.531736  1
  P  P226  1  0.202162  0.258757  0.535120  1
  P  P227  1  0.945001  0.054010  0.593259  1
  P  P228  1  0.461393  0.465331  0.480186  1
  P  P229  1  0.107783  0.213068  0.591494  1
  P  P230  1  0.624745  0.628229  0.479786  1
  P  P231  1  0.363965  0.417512  0.534661  1
  P  P232  1  0.114336  0.718716  0.588502  1
  P  P233  1  0.778160  0.381241  0.587397  1
  P  P234  1  0.371848  0.923678  0.532587  1
  P  P235  1  0.314044  0.702239  0.533536  1
  P  P236  1  0.059161  0.499192  0.589368  1
  P  P237  1  0.722270  0.159931  0.587751  1
  P  P238  1  0.068212  0.941948  0.515370  1
  P  P239  1  0.732693  0.603651  0.515146  1
  P  P240  1  0.475435  0.397972  0.569742  1
  P  P241  1  0.088323  0.310723  0.534858  1
  P  P242  1  0.754400  0.974091  0.533550  1
  P  P243  1  0.501187  0.768602  0.588266  1
  P  P244  1  0.336259  0.071632  0.552559  1
  P  P245  1  0.079755  0.868124  0.610102  1
  P  P246  1  0.593415  0.277993  0.496279  1
  P  P247  1  0.328465  0.602599  0.590443  1
  P  P248  1  0.926858  0.153465  0.535277  1
  P  P249  1  0.593067  0.814915  0.533558  1
  P  P250  1  0.250817  0.040949  0.607554  1
  P  P251  1  0.764880  0.453645  0.495541  1
  P  P252  1  0.508650  0.247168  0.551738  1
  P  P253  1  0.220806  0.656246  0.588618  1
  P  P254  1  0.885681  0.319526  0.587528  1
  P  P255  1  0.478925  0.860596  0.532048  1
  P  P256  1  0.302741  0.222068  0.570875  1
  P  P257  1  0.897344  0.767828  0.516587  1
  P  P258  1  0.561366  0.429785  0.514916  1
  P  P259  1  0.391040  0.830367  0.588344  1
  P  P260  1  0.981485  0.372426  0.533342  1
  P  P261  1  0.648314  0.034922  0.531724  1
  P  P262  1  0.136989  0.059943  0.572257  1
  P  P263  1  0.806658  0.731063  0.572108  1
  P  P264  1  0.394939  0.265189  0.515446  1
  P  P265  1  0.161896  0.434652  0.591197  1
  P  P266  1  0.682768  0.848317  0.477304  1
  P  P267  1  0.419937  0.639171  0.534068  1
  P  P268  1  0.417046  0.204775  0.607191  1
  P  P269  1  0.006360  0.744494  0.552668  1
  P  P270  1  0.673129  0.408810  0.551411  1
  P  P271  1  0.232347  0.101500  0.514874  1
  P  P272  1  0.974620  0.896842  0.571834  1
  P  P273  1  0.641409  0.560053  0.570842  1
  P  P274  1  0.146360  0.529375  0.531964  1
  P  P275  1  0.811931  0.193777  0.531063  1
  P  P276  1  0.552669  0.986096  0.587796  1
  P  P277  1  0.170201  0.910370  0.552919  1
  P  P278  1  0.836954  0.577169  0.552220  1
  P  P279  1  0.577207  0.365871  0.608372  1
  P  P280  1  0.257531  0.482117  0.534732  1
  P  P281  1  0.999971  0.278788  0.593055  1
  P  P282  1  0.665600  0.941238  0.590107  1
  P  P283  1  0.032663  0.090768  0.535377  1
  P  P284  1  0.700473  0.754846  0.535145  1
  P  P285  1  0.439838  0.545093  0.589535  1
  P  P286  1  0.038703  0.593961  0.532292  1
  P  P287  1  0.702526  0.255814  0.531375  1
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  P  P292  1  0.351894  0.006084  0.643996  1
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  P  P295  1  0.424320  0.135273  0.700388  1
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  P  P299  1  0.104457  0.313496  0.702169  1
  P  P300  1  0.611880  0.716777  0.591336  1
  P  P301  1  0.260984  0.465848  0.702396  1
  P  P302  1  0.774645  0.881679  0.592513  1
  P  P303  1  0.514942  0.668702  0.644669  1
  P  P304  1  0.263989  0.972010  0.701346  1
  P  P305  1  0.927809  0.627530  0.698742  1
  P  P306  1  0.520309  0.175219  0.645119  1
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  P  P308  1  0.203596  0.747849  0.701251  1
  P  P309  1  0.874457  0.402080  0.697059  1
  P  P310  1  0.217291  0.191652  0.626149  1
  P  P311  1  0.882482  0.855587  0.628054  1
  P  P312  1  0.625763  0.649545  0.683574  1
  P  P313  1  0.245209  0.567980  0.645905  1
  P  P314  1  0.907189  0.230705  0.647319  1
  P  P315  1  0.645448  0.014008  0.698827  1
  P  P316  1  0.484149  0.324252  0.665265  1
  P  P317  1  0.229727  0.121137  0.723285  1
  P  P318  1  0.743517  0.530871  0.608097  1
  P  P319  1  0.484287  0.860516  0.701021  1
  P  P320  1  0.073013  0.403160  0.649828  1
  P  P321  1  0.731557  0.056331  0.643518  1
  P  P322  1  0.397542  0.290506  0.723847  1
  P  P323  1  0.914758  0.706283  0.608046  1
  P  P324  1  0.657298  0.498197  0.663021  1
  P  P325  1  0.379691  0.921149  0.700263  1
  P  P326  1  0.034342  0.562175  0.697054  1
  P  P327  1  0.631838  0.117812  0.642886  1
  P  P328  1  0.451765  0.473690  0.683932  1
  P  P329  1  0.047222  0.017754  0.628663  1
  P  P330  1  0.710420  0.681538  0.627445  1
  P  P331  1  0.543076  0.084099  0.699061  1
  P  P332  1  0.133122  0.627109  0.645670  1
  P  P333  1  0.796154  0.287751  0.643230  1
  P  P334  1  0.286345  0.312478  0.680056  1
  P  P335  1  0.956273  0.985909  0.681076  1
  P  P336  1  0.545274  0.515881  0.626808  1
  P  P337  1  0.319722  0.689281  0.700486  1
  P  P338  1  0.831757  0.101145  0.589226  1
  P  P339  1  0.569516  0.887906  0.644130  1
  P  P340  1  0.561223  0.458155  0.719418  1
  P  P341  1  0.159030  0.999010  0.664830  1
  P  P342  1  0.822301  0.660076  0.663866  1
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  P  P345  1  0.789973  0.811049  0.684008  1
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  P  P348  1  0.703776  0.237529  0.697033  1
  P  P349  1  0.320106  0.160623  0.660845  1
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  P  P351  1  0.721110  0.601798  0.717281  1
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  P  P359  1  0.852848  0.507917  0.642406  1
  P  P360  1  0.598253  0.309025  0.700305  1
