# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.72383981
_cell_length_b   19.35902439
_cell_length_c   57.60753928
_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   17535.6311718
_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  0.596618  0.441307  0.356889  1
  Fe  Fe2  1  0.591039  0.769687  0.318569  1
  Fe  Fe3  1  0.606010  0.089731  0.292118  1
  Fe  Fe4  1  0.106867  0.390724  0.310003  1
  Fe  Fe5  1  0.108402  0.723719  0.277877  1
  Fe  Fe6  1  0.103447  0.066904  0.345392  1
  Fe  Fe7  1  0.907108  0.227569  0.327527  1
  Fe  Fe8  1  0.896530  0.554898  0.294617  1
  Fe  Fe9  1  0.909852  0.900980  0.364971  1
  Fe  Fe10  1  0.414382  0.279288  0.375507  1
  Fe  Fe11  1  0.417770  0.606926  0.336509  1
  Fe  Fe12  1  0.433842  0.941005  0.303726  1
  Fe  Fe13  1  0.763196  0.322322  0.339995  1
  Fe  Fe14  1  0.762085  0.649769  0.304782  1
  Fe  Fe15  1  0.754225  1.000446  0.278298  1
  Fe  Fe16  1  0.250533  0.159380  0.360079  1
  Fe  Fe17  1  0.249523  0.487005  0.321473  1
  Fe  Fe18  1  0.237332  0.820042  0.293133  1
  Fe  Fe19  1  0.597430  0.457439  0.468244  1
  Fe  Fe20  1  0.597367  0.784401  0.430401  1
  Fe  Fe21  1  0.597693  0.115970  0.396188  1
  Fe  Fe22  1  0.103393  0.413063  0.420862  1
  Fe  Fe23  1  0.103845  0.740607  0.382922  1
  Fe  Fe24  1  0.103477  0.085164  0.458200  1
  Fe  Fe25  1  0.909331  0.249189  0.439580  1
  Fe  Fe26  1  0.909338  0.576543  0.401953  1
  Fe  Fe27  1  0.909673  0.921423  0.476850  1
  Fe  Fe28  1  0.414924  0.294568  0.487292  1
  Fe  Fe29  1  0.415506  0.621074  0.449390  1
  Fe  Fe30  1  0.415462  0.950017  0.413663  1
  Fe  Fe31  1  0.761514  0.342606  0.453279  1
  Fe  Fe32  1  0.760403  0.671279  0.416032  1
  Fe  Fe33  1  0.763470  0.995837  0.377764  1
  Fe  Fe34  1  0.250751  0.178711  0.472125  1
  Fe  Fe35  1  0.251123  0.506046  0.434707  1
  Fe  Fe36  1  0.251765  0.832865  0.398069  1
  Fe  Fe37  1  0.597250  0.475493  0.580898  1
  Fe  Fe38  1  0.597571  0.802264  0.543451  1
  Fe  Fe39  1  0.597656  0.130803  0.506141  1
  Fe  Fe40  1  0.103783  0.431167  0.533990  1
  Fe  Fe41  1  0.103427  0.757605  0.495519  1
  Fe  Fe42  1  0.102670  0.103137  0.570667  1
  Fe  Fe43  1  0.910063  0.266940  0.552119  1
  Fe  Fe44  1  0.909422  0.594556  0.515122  1
  Fe  Fe45  1  0.908019  0.938447  0.588390  1
  Fe  Fe46  1  0.415962  0.311629  0.599653  1
  Fe  Fe47  1  0.415224  0.638410  0.562224  1
  Fe  Fe48  1  0.415649  0.966444  0.524593  1
  Fe  Fe49  1  0.763206  0.359795  0.564762  1
  Fe  Fe50  1  0.762168  0.687470  0.528244  1
  Fe  Fe51  1  0.761666  0.015421  0.490764  1
  Fe  Fe52  1  0.248960  0.194780  0.583497  1
  Fe  Fe53  1  0.250927  0.523900  0.547131  1
  Fe  Fe54  1  0.251532  0.851353  0.509299  1
  Fe  Fe55  1  0.619597  0.484365  0.686053  1
  Fe  Fe56  1  0.606644  0.816429  0.654290  1
  Fe  Fe57  1  0.598258  0.149542  0.619161  1
  Fe  Fe58  1  0.095376  0.439221  0.646714  1
  Fe  Fe59  1  0.104557  0.774064  0.607861  1
  Fe  Fe60  1  0.079691  0.106333  0.677827  1
  Fe  Fe61  1  0.909634  0.285245  0.665650  1
  Fe  Fe62  1  0.915367  0.608256  0.627321  1
  Fe  Fe63  1  0.919015  0.951859  0.690519  1
  Fe  Fe64  1  0.424624  0.311423  0.699892  1
  Fe  Fe65  1  0.408032  0.654358  0.671997  1
  Fe  Fe66  1  0.414550  0.985298  0.637179  1
  Fe  Fe67  1  0.756343  0.387599  0.674741  1
  Fe  Fe68  1  0.751317  0.721240  0.642354  1
  Fe  Fe69  1  0.760997  0.032304  0.602202  1
  Fe  Fe70  1  0.283797  0.223424  0.687281  1
  Fe  Fe71  1  0.263905  0.562412  0.660241  1
  Fe  Fe72  1  0.251144  0.869102  0.620720  1
  P  P73  1  0.501891  0.442578  0.281483  1
  P  P74  1  0.505436  0.795939  0.350882  1
  P  P75  1  0.504704  0.123640  0.317476  1
  P  P76  1  0.011436  0.356684  0.277794  1
  P  P77  1  1.005756  0.700966  0.351281  1
  P  P78  1  0.006901  0.029526  0.313438  1
  P  P79  1  1.003572  0.191684  0.295980  1
  P  P80  1  1.004878  0.538002  0.369480  1
  P  P81  1  1.001937  0.864920  0.331472  1
  P  P82  1  0.507523  0.282363  0.298075  1
  P  P83  1  0.506060  0.634204  0.369526  1
  P  P84  1  0.505630  0.959685  0.336292  1
  P  P85  1  0.507804  0.342151  0.350488  1
  P  P86  1  0.504823  0.673260  0.309482  1
  P  P87  1  0.507951  0.014373  0.273539  1
  P  P88  1  1.006115  0.484238  0.313329  1
  P  P89  1  0.007033  0.801895  0.271984  1
  P  P90  1  1.004861  0.157602  0.351630  1
  P  P91  1  0.159886  0.423908  0.346694  1
  P  P92  1  0.150729  0.751137  0.313430  1
  P  P93  1  0.151794  0.079703  0.274250  1
  P  P94  1  0.664065  0.399973  0.319352  1
  P  P95  1  0.672672  0.731013  0.282116  1
  P  P96  1  0.663644  0.076050  0.358339  1
  P  P97  1  0.348776  0.236958  0.337848  1
  P  P98  1  0.348509  0.563758  0.299425  1
  P  P99  1  0.349015  0.910685  0.375990  1
  P  P100  1  0.851427  0.259744  0.365175  1
  P  P101  1  0.852287  0.586576  0.329713  1
  P  P102  1  0.851606  0.916441  0.287949  1
  P  P103  1  0.339856  0.176200  0.284859  1
  P  P104  1  0.326582  0.530373  0.357686  1
  P  P105  1  0.334511  0.859478  0.321936  1
  P  P106  1  0.826202  0.292723  0.302408  1
  P  P107  1  0.825505  0.623604  0.266910  1
  P  P108  1  0.832129  0.970234  0.341878  1
  P  P109  1  0.187888  0.459555  0.284093  1
  P  P110  1  0.186357  0.812262  0.361760  1
  P  P111  1  0.186685  0.135275  0.323446  1
  P  P112  1  0.667268  0.348987  0.267294  1
  P  P113  1  0.681266  0.688057  0.339135  1
  P  P114  1  0.673288  1.004696  0.308964  1
  P  P115  1  0.163926  0.260324  0.364326  1
  P  P116  1  0.163461  0.585652  0.326422  1
  P  P117  1  0.155682  0.913663  0.289554  1
  P  P118  1  0.662413  0.235744  0.336843  1
  P  P119  1  0.660850  0.561740  0.298953  1
  P  P120  1  0.664604  0.909298  0.374451  1
  P  P121  1  0.348489  0.400000  0.319777  1
  P  P122  1  0.343464  0.746422  0.281544  1
  P  P123  1  0.348883  0.070696  0.355505  1
  P  P124  1  0.849371  0.421371  0.345250  1
  P  P125  1  0.856637  0.747765  0.309559  1
  P  P126  1  0.847810  0.084223  0.273186  1
  P  P127  1  0.674072  0.183279  0.282124  1
  P  P128  1  0.687164  0.529797  0.358162  1
  P  P129  1  0.694401  0.849003  0.322621  1
  P  P130  1  0.187221  0.294157  0.304706  1
  P  P131  1  0.192068  0.634397  0.269009  1
  P  P132  1  0.184876  0.969298  0.342391  1
  P  P133  1  0.824914  0.457567  0.286740  1
  P  P134  1  0.828739  0.804004  0.363192  1
  P  P135  1  0.821282  0.131218  0.325405  1
  P  P136  1  0.341108  0.339102  0.268927  1
  P  P137  1  0.325715  0.694432  0.338703  1
  P  P138  1  0.325376  0.016267  0.301051  1
  P  P139  1  0.504082  0.178977  0.370284  1
  P  P140  1  0.505416  0.507977  0.331900  1
  P  P141  1  0.517999  0.848441  0.291544  1
  P  P142  1  1.006581  0.320453  0.332838  1
  P  P143  1  1.006316  0.641359  0.293052  1
  P  P144  1  0.008743  0.994171  0.369961  1
  P  P145  1  0.505151  0.470379  0.388965  1
  P  P146  1  0.506468  0.813720  0.463386  1
  P  P147  1  0.504755  0.143202  0.427352  1
  P  P148  1  0.008169  0.375306  0.388122  1
  P  P149  1  0.008126  0.721190  0.462817  1
  P  P150  1  0.008510  0.048605  0.425419  1
  P  P151  1  1.004517  0.212290  0.406793  1
  P  P152  1  1.004192  0.558015  0.481807  1
  P  P153  1  1.005060  0.885025  0.444198  1
  P  P154  1  0.506629  0.307206  0.407900  1
  P  P155  1  0.506723  0.650235  0.482237  1
  P  P156  1  0.508235  0.977884  0.445473  1
  P  P157  1  0.508366  0.357717  0.462632  1
  P  P158  1  0.507846  0.685249  0.424683  1
  P  P159  1  0.508129  0.015862  0.389140  1
  P  P160  1  1.005382  0.505599  0.426248  1
  P  P161  1  0.006993  0.832297  0.388898  1
  P  P162  1  1.005870  0.178563  0.463549  1
  P  P163  1  0.160000  0.444025  0.458918  1
  P  P164  1  0.160572  0.769965  0.421399  1
  P  P165  1  0.160439  0.096834  0.383804  1
  P  P166  1  0.663107  0.417235  0.430754  1
  P  P167  1  0.662147  0.745118  0.393044  1
  P  P168  1  0.662659  0.090295  0.468354  1
  P  P169  1  0.349193  0.253863  0.449864  1
  P  P170  1  0.349048  0.580895  0.412069  1
  P  P171  1  0.350658  0.925966  0.487018  1
  P  P172  1  0.852907  0.280264  0.477486  1
  P  P173  1  0.851886  0.607067  0.439982  1
  P  P174  1  0.853475  0.933873  0.402784  1
  P  P175  1  0.326467  0.202174  0.395739  1
  P  P176  1  0.327388  0.547190  0.470525  1
  P  P177  1  0.328522  0.873779  0.433420  1
  P  P178  1  0.829563  0.318677  0.417102  1
  P  P179  1  0.827026  0.645365  0.380249  1
  P  P180  1  0.828878  0.990487  0.454556  1
  P  P181  1  0.183451  0.482696  0.398405  1
  P  P182  1  0.184497  0.826510  0.473095  1
  P  P183  1  0.183601  0.154540  0.435790  1
  P  P184  1  0.686063  0.364710  0.376658  1
  P  P185  1  0.684650  0.710505  0.451761  1
  P  P186  1  0.687010  0.037554  0.414649  1
  P  P187  1  0.164198  0.279736  0.476866  1
  P  P188  1  0.164193  0.606740  0.439330  1
  P  P189  1  0.164392  0.934081  0.402725  1
  P  P190  1  0.663500  0.253050  0.449529  1
  P  P191  1  0.663056  0.580435  0.411857  1
  P  P192  1  0.664065  0.925496  0.486648  1
  P  P193  1  0.348693  0.416689  0.430996  1
  P  P194  1  0.349541  0.743989  0.392902  1
  P  P195  1  0.349112  0.089202  0.468251  1
  P  P196  1  0.848326  0.443258  0.458143  1
  P  P197  1  0.848980  0.770293  0.421031  1
  P  P198  1  0.850078  0.096025  0.383726  1
  P  P199  1  0.686784  0.205903  0.396104  1
  P  P200  1  0.685413  0.548916  0.470227  1
  P  P201  1  0.686091  0.875505  0.432593  1
  P  P202  1  0.184827  0.316175  0.418123  1
  P  P203  1  0.184614  0.644173  0.379999  1
  P  P204  1  0.185791  0.988405  0.455922  1
  P  P205  1  0.827696  0.479564  0.399101  1
  P  P206  1  0.827444  0.824570  0.474410  1
  P  P207  1  0.827374  0.152349  0.436986  1
  P  P208  1  0.325848  0.369326  0.377306  1
  P  P209  1  0.327252  0.712172  0.451413  1
  P  P210  1  0.326375  0.041191  0.414603  1
  P  P211  1  0.503977  0.194452  0.481665  1
  P  P212  1  0.504250  0.521346  0.443741  1
  P  P213  1  0.504867  0.850171  0.405976  1
  P  P214  1  0.007081  0.342305  0.444988  1
  P  P215  1  0.006946  0.668946  0.407425  1
  P  P216  1  0.006826  0.014911  0.482174  1
  P  P217  1  0.505962  0.486817  0.501049  1
  P  P218  1  0.505132  0.832439  0.575573  1
  P  P219  1  0.505453  0.159500  0.538647  1
  P  P220  1  0.008879  0.394665  0.500609  1
  P  P221  1  0.008398  0.738025  0.575199  1
  P  P222  1  0.008002  0.067134  0.537537  1
  P  P223  1  1.004640  0.230847  0.519148  1
  P  P224  1  1.006359  0.575436  0.594157  1
  P  P225  1  1.004316  0.902207  0.555759  1
  P  P226  1  0.506795  0.323387  0.519853  1
  P  P227  1  0.507910  0.669579  0.594223  1
  P  P228  1  0.507079  0.995777  0.557110  1
  P  P229  1  0.508221  0.375777  0.574514  1
  P  P230  1  0.508140  0.702772  0.537156  1
  P  P231  1  0.508696  0.030586  0.500020  1
  P  P232  1  1.006367  0.524453  0.538715  1
  P  P233  1  1.006360  0.851003  0.500671  1
  P  P234  1  1.005435  0.196453  0.576192  1
  P  P235  1  0.160364  0.462379  0.572172  1
  P  P236  1  0.160523  0.788782  0.533396  1
  P  P237  1  0.159787  0.116463  0.496172  1
  P  P238  1  0.663232  0.435587  0.543075  1
  P  P239  1  0.663034  0.761955  0.505809  1
  P  P240  1  0.661990  0.108868  0.580549  1
  P  P241  1  0.349493  0.271520  0.561929  1
  P  P242  1  0.349590  0.598413  0.524619  1
  P  P243  1  0.350729  0.944748  0.599132  1
  P  P244  1  0.853249  0.298109  0.589854  1
  P  P245  1  0.853024  0.626187  0.553251  1
  P  P246  1  0.852863  0.952545  0.514747  1
  P  P247  1  0.326849  0.219897  0.508015  1
  P  P248  1  0.326863  0.563790  0.582751  1
  P  P249  1  0.327749  0.892036  0.545166  1
  P  P250  1  0.829746  0.336001  0.529252  1
  P  P251  1  0.828905  0.662700  0.492027  1
  P  P252  1  0.828014  0.008566  0.566224  1
  P  P253  1  0.183846  0.499416  0.510968  1
  P  P254  1  0.184566  0.843946  0.585129  1
  P  P255  1  0.183038  0.171961  0.547937  1
  P  P256  1  0.685523  0.383573  0.489192  1
  P  P257  1  0.686049  0.727815  0.563870  1
  P  P258  1  0.685239  0.056144  0.526582  1
  P  P259  1  0.163790  0.297491  0.588773  1
  P  P260  1  0.164518  0.625211  0.551685  1
  P  P261  1  0.164533  0.951934  0.513975  1
  P  P262  1  0.663571  0.270401  0.560988  1
  P  P263  1  0.664370  0.598053  0.524394  1
  P  P264  1  0.663048  0.944622  0.598192  1
  P  P265  1  0.348600  0.434310  0.543353  1
  P  P266  1  0.349135  0.761430  0.505381  1
  P  P267  1  0.348416  0.105978  0.579724  1
  P  P268  1  0.849071  0.461753  0.570235  1
  P  P269  1  0.848712  0.788565  0.532717  1
  P  P270  1  0.848495  0.115883  0.495393  1
  P  P271  1  0.686112  0.221920  0.507404  1
  P  P272  1  0.684985  0.567357  0.583143  1
  P  P273  1  0.685907  0.893749  0.544710  1
  P  P274  1  0.185044  0.334088  0.530623  1
  P  P275  1  0.185046  0.660760  0.493011  1
  P  P276  1  0.184798  1.005741  0.567521  1
  P  P277  1  0.828199  0.497652  0.511924  1
  P  P278  1  0.826925  0.842263  0.586269  1
  P  P279  1  0.827766  0.170220  0.548884  1
  P  P280  1  0.327015  0.385896  0.489167  1
  P  P281  1  0.327147  0.730024  0.563867  1
  P  P282  1  0.326821  0.057742  0.526036  1
  P  P283  1  0.503995  0.212308  0.593528  1
  P  P284  1  0.504803  0.539417  0.555829  1
  P  P285  1  0.504835  0.866414  0.518374  1
  P  P286  1  0.007268  0.360687  0.557370  1
  P  P287  1  0.006767  0.687708  0.519707  1
  P  P288  1  1.006060  0.031081  0.593622  1
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  P  P290  1  0.510663  0.853348  0.685942  1
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  P  P293  1  1.005747  0.763811  0.684527  1
  P  P294  1  0.998870  0.086652  0.647429  1
  P  P295  1  1.003853  0.250584  0.632536  1
  P  P296  1  0.009238  0.600886  0.700560  1
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  P  P299  1  0.503108  0.687991  0.704264  1
  P  P300  1  0.508092  0.015393  0.668419  1
  P  P301  1  0.512942  0.402068  0.692264  1
  P  P302  1  0.507539  0.723072  0.649359  1
  P  P303  1  0.508027  0.049958  0.611968  1
  P  P304  1  0.008821  0.539002  0.650778  1
  P  P305  1  1.006330  0.867355  0.611855  1
  P  P306  1  0.998404  0.204525  0.690882  1
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  P  P308  1  0.162712  0.807162  0.645762  1
  P  P309  1  0.157454  0.133928  0.608907  1
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  P  P311  1  0.661385  0.783254  0.616621  1
  P  P312  1  0.652933  0.127135  0.689313  1
  P  P313  1  0.363066  0.295437  0.666574  1
  P  P314  1  0.353466  0.620503  0.635285  1
  P  P315  1  0.358903  0.960875  0.706549  1
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  P  P317  1  0.850226  0.647993  0.664993  1
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  P  P319  1  0.323645  0.233660  0.618570  1
  P  P320  1  0.329399  0.585368  0.697838  1
  P  P321  1  0.325499  0.909952  0.656664  1
  P  P322  1  0.831779  0.357054  0.641816  1
  P  P323  1  0.828123  0.682472  0.606079  1
  P  P324  1  0.831878  0.035821  0.680449  1
  P  P325  1  0.186836  0.517292  0.625295  1
  P  P326  1  0.170949  0.874917  0.697253  1
  P  P327  1  0.179121  0.189592  0.661148  1
  P  P328  1  0.687794  0.399947  0.599940  1
  P  P329  1  0.686531  0.751130  0.679717  1
  P  P330  1  0.686853  0.073547  0.638335  1
  P  P331  1  0.185207  0.309961  0.699625  1
  P  P332  1  0.165393  0.647727  0.665102  1
  P  P333  1  0.164848  0.971184  0.625595  1
  P  P334  1  0.655378  0.293270  0.672185  1
  P  P335  1  0.665512  0.622472  0.637455  1
  P  P336  1  0.662120  0.963809  0.706234  1
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  P  P338  1  0.349692  0.780878  0.617696  1
  P  P339  1  0.358460  0.126584  0.691675  1
  P  P340  1  0.851551  0.480749  0.681859  1
  P  P341  1  0.851038  0.809483  0.645295  1
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  P  P343  1  0.684900  0.241598  0.619197  1
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  P  P349  1  0.827192  0.517928  0.623964  1
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  P  P360  1  0.014274  0.033136  0.708379  1
