# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   49.29398394
_cell_length_b   25.42279379
_cell_length_c   51.85463010
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.50645470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe270 P1080'
_cell_volume   64093.739701
_cell_formula_units_Z   270
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  0.472865  0.462045  0.289243  1
  Fe  Fe2  1  0.806199  0.128712  0.289243  1
  Fe  Fe3  1  0.793451  0.367813  0.333749  1
  Fe  Fe4  1  0.134907  0.415112  0.307644  1
  Fe  Fe5  1  0.468241  0.081779  0.307644  1
  Fe  Fe6  1  0.801574  0.748445  0.307644  1
  Fe  Fe7  1  0.139532  0.795378  0.289243  1
  Fe  Fe8  1  0.126785  0.034480  0.333749  1
  Fe  Fe9  1  0.460118  0.701147  0.333749  1
  Fe  Fe10  1  0.305653  0.402232  0.298865  1
  Fe  Fe11  1  0.638986  0.068899  0.298865  1
  Fe  Fe12  1  0.625305  0.307509  0.353067  1
  Fe  Fe13  1  0.963429  0.365374  0.323492  1
  Fe  Fe14  1  0.296762  0.032041  0.323492  1
  Fe  Fe15  1  0.630095  0.698707  0.323492  1
  Fe  Fe16  1  0.972320  0.735565  0.298865  1
  Fe  Fe17  1  0.958638  0.974176  0.353067  1
  Fe  Fe18  1  0.291972  0.640843  0.353067  1
  Fe  Fe19  1  0.569397  0.208995  0.313117  1
  Fe  Fe20  1  0.902730  0.875662  0.313117  1
  Fe  Fe21  1  0.904289  0.267064  0.286271  1
  Fe  Fe22  1  0.228212  0.167957  0.341096  1
  Fe  Fe23  1  0.561545  0.834624  0.341096  1
  Fe  Fe24  1  0.894878  0.501290  0.341096  1
  Fe  Fe25  1  0.236064  0.542329  0.313117  1
  Fe  Fe26  1  0.237623  0.933731  0.286271  1
  Fe  Fe27  1  0.570956  0.600398  0.286271  1
  Fe  Fe28  1  0.400871  0.214496  0.324930  1
  Fe  Fe29  1  0.734204  0.881163  0.324930  1
  Fe  Fe30  1  0.740052  0.268061  0.307717  1
  Fe  Fe31  1  0.058607  0.173282  0.354517  1
  Fe  Fe32  1  0.391941  0.839949  0.354517  1
  Fe  Fe33  1  0.725274  0.506615  0.354517  1
  Fe  Fe34  1  0.067537  0.547829  0.324930  1
  Fe  Fe35  1  0.073385  0.934728  0.307717  1
  Fe  Fe36  1  0.406719  0.601395  0.307717  1
  Fe  Fe37  1  0.515490  0.256869  0.336853  1
  Fe  Fe38  1  0.848823  0.923536  0.336853  1
  Fe  Fe39  1  0.850617  0.319053  0.309501  1
  Fe  Fe40  1  0.188752  0.362988  0.286220  1
  Fe  Fe41  1  0.522085  0.029655  0.286220  1
  Fe  Fe42  1  0.855419  0.696322  0.286220  1
  Fe  Fe43  1  0.182156  0.590202  0.336853  1
  Fe  Fe44  1  0.183950  0.985720  0.309501  1
  Fe  Fe45  1  0.517284  0.652387  0.309501  1
  Fe  Fe46  1  0.361019  0.197465  0.288526  1
  Fe  Fe47  1  0.694353  0.864131  0.288526  1
  Fe  Fe48  1  0.679105  0.094107  0.340266  1
  Fe  Fe49  1  0.018047  0.150722  0.315098  1
  Fe  Fe50  1  0.351381  0.817389  0.315098  1
  Fe  Fe51  1  0.684714  0.484055  0.315098  1
  Fe  Fe52  1  0.027686  0.530798  0.288526  1
  Fe  Fe53  1  0.012438  0.760774  0.340266  1
  Fe  Fe54  1  0.345772  0.427441  0.340266  1
  Fe  Fe55  1  0.452684  0.312548  0.368847  1
  Fe  Fe56  1  0.786017  0.979214  0.368847  1
  Fe  Fe57  1  0.772262  0.214727  0.430214  1
  Fe  Fe58  1  0.111050  0.270768  0.399264  1
  Fe  Fe59  1  0.444383  0.937435  0.399264  1
  Fe  Fe60  1  0.777716  0.604101  0.399264  1
  Fe  Fe61  1  0.119350  0.645881  0.368847  1
  Fe  Fe62  1  0.105595  0.881394  0.430214  1
  Fe  Fe63  1  0.438928  0.548061  0.430214  1
  Fe  Fe64  1  0.284768  0.262600  0.383793  1
  Fe  Fe65  1  0.618101  0.929267  0.383793  1
  Fe  Fe66  1  0.605113  0.160451  0.445342  1
  Fe  Fe67  1  0.944501  0.210847  0.413498  1
  Fe  Fe68  1  0.277834  0.877514  0.413498  1
  Fe  Fe69  1  0.611167  0.544181  0.413498  1
  Fe  Fe70  1  0.951434  0.595933  0.383793  1
  Fe  Fe71  1  0.938446  0.827118  0.445342  1
  Fe  Fe72  1  0.271779  0.493784  0.445342  1
  Fe  Fe73  1  0.549552  0.064234  0.403827  1
  Fe  Fe74  1  0.882885  0.730900  0.403827  1
  Fe  Fe75  1  0.889542  0.111956  0.370545  1
  Fe  Fe76  1  0.209564  0.013725  0.431808  1
  Fe  Fe77  1  0.542897  0.680392  0.431808  1
  Fe  Fe78  1  0.876231  0.347058  0.431808  1
  Fe  Fe79  1  0.216218  0.397567  0.403827  1
  Fe  Fe80  1  0.222875  0.778623  0.370545  1
  Fe  Fe81  1  0.556208  0.445290  0.370545  1
  Fe  Fe82  1  0.381257  0.071537  0.419998  1
  Fe  Fe83  1  0.714591  0.738204  0.419998  1
  Fe  Fe84  1  0.720021  0.113725  0.385331  1
  Fe  Fe85  1  0.042277  0.016823  0.449464  1
  Fe  Fe86  1  0.375611  0.683490  0.449464  1
  Fe  Fe87  1  0.708944  0.350156  0.449464  1
  Fe  Fe88  1  0.047924  0.404870  0.419998  1
  Fe  Fe89  1  0.053355  0.780392  0.385331  1
  Fe  Fe90  1  0.386688  0.447058  0.385331  1
  Fe  Fe91  1  0.495074  0.111174  0.430155  1
  Fe  Fe92  1  0.828407  0.777841  0.430155  1
  Fe  Fe93  1  0.834725  0.155008  0.399378  1
  Fe  Fe94  1  0.174276  0.214624  0.366406  1
  Fe  Fe95  1  0.507609  0.881291  0.366406  1
  Fe  Fe96  1  0.840943  0.547957  0.366406  1
  Fe  Fe97  1  0.161740  0.444508  0.430155  1
  Fe  Fe98  1  0.168059  0.821674  0.399378  1
  Fe  Fe99  1  0.501392  0.488341  0.399378  1
  Fe  Fe100  1  0.336428  0.051532  0.364941  1
  Fe  Fe101  1  0.669761  0.718199  0.364941  1
  Fe  Fe102  1  0.657228  0.945451  0.428846  1
  Fe  Fe103  1  0.998163  0.992525  0.395866  1
  Fe  Fe104  1  0.331497  0.659192  0.395866  1
  Fe  Fe105  1  0.664830  0.325858  0.395866  1
  Fe  Fe106  1  0.003095  0.384865  0.364941  1
  Fe  Fe107  1  0.990561  0.612118  0.428846  1
  Fe  Fe108  1  0.323894  0.278785  0.428846  1
  Fe  Fe109  1  0.432848  0.168990  0.461088  1
  Fe  Fe110  1  0.766181  0.835657  0.461088  1
  Fe  Fe111  1  0.753178  0.067728  0.522663  1
  Fe  Fe112  1  0.092973  0.117158  0.489358  1
  Fe  Fe113  1  0.426306  0.783825  0.489358  1
  Fe  Fe114  1  0.759640  0.450491  0.489358  1
  Fe  Fe115  1  0.099514  0.502323  0.461088  1
  Fe  Fe116  1  0.086512  0.734395  0.522663  1
  Fe  Fe117  1  0.419845  0.401061  0.522663  1
  Fe  Fe118  1  0.265211  0.110993  0.474417  1
  Fe  Fe119  1  0.598544  0.777659  0.474417  1
  Fe  Fe120  1  0.585578  0.009455  0.537160  1
  Fe  Fe121  1  0.925710  0.060173  0.505386  1
  Fe  Fe122  1  0.259043  0.726840  0.505386  1
  Fe  Fe123  1  0.592376  0.393506  0.505386  1
  Fe  Fe124  1  0.931877  0.444326  0.474417  1
  Fe  Fe125  1  0.918911  0.676122  0.537160  1
  Fe  Fe126  1  0.252245  0.342789  0.537160  1
  Fe  Fe127  1  0.530182  0.913465  0.493650  1
  Fe  Fe128  1  0.863515  0.580131  0.493650  1
  Fe  Fe129  1  0.870439  0.963207  0.463550  1
  Fe  Fe130  1  0.190253  0.862554  0.524551  1
  Fe  Fe131  1  0.523587  0.529221  0.524551  1
  Fe  Fe132  1  0.856920  0.195888  0.524551  1
  Fe  Fe133  1  0.196848  0.246798  0.493650  1
  Fe  Fe134  1  0.203773  0.629873  0.463550  1
  Fe  Fe135  1  0.537106  0.296540  0.463550  1
  Fe  Fe136  1  0.361934  0.918654  0.509289  1
  Fe  Fe137  1  0.695267  0.585320  0.509289  1
  Fe  Fe138  1  0.702192  0.969703  0.481337  1
  Fe  Fe139  1  0.022509  0.869490  0.541285  1
  Fe  Fe140  1  0.355842  0.536157  0.541285  1
  Fe  Fe141  1  0.689176  0.202823  0.541285  1
  Fe  Fe142  1  0.028600  0.251987  0.509289  1
  Fe  Fe143  1  0.035525  0.636370  0.481337  1
  Fe  Fe144  1  0.368859  0.303036  0.481337  1
  Fe  Fe145  1  0.475538  0.959141  0.520876  1
  Fe  Fe146  1  0.808871  0.625808  0.520876  1
  Fe  Fe147  1  0.815790  0.010056  0.490126  1
  Fe  Fe148  1  0.154537  0.060276  0.458068  1
  Fe  Fe149  1  0.487871  0.726942  0.458068  1
  Fe  Fe150  1  0.821204  0.393609  0.458068  1
  Fe  Fe151  1  0.142205  0.292475  0.520876  1
  Fe  Fe152  1  0.149123  0.676723  0.490126  1
  Fe  Fe153  1  0.482457  0.343390  0.490126  1
  Fe  Fe154  1  0.317507  0.894314  0.457822  1
  Fe  Fe155  1  0.650840  0.560981  0.457822  1
  Fe  Fe156  1  0.638029  0.793568  0.519333  1
  Fe  Fe157  1  0.978134  0.844837  0.489293  1
  Fe  Fe158  1  0.311467  0.511503  0.489293  1
  Fe  Fe159  1  0.644801  0.178170  0.489293  1
  Fe  Fe160  1  0.984174  0.227648  0.457822  1
  Fe  Fe161  1  0.971363  0.460235  0.519333  1
  Fe  Fe162  1  0.304696  0.126902  0.519333  1
  Fe  Fe163  1  0.413310  0.016265  0.552136  1
  Fe  Fe164  1  0.746643  0.682932  0.552136  1
  Fe  Fe165  1  0.733990  0.915276  0.614378  1
  Fe  Fe166  1  0.073743  0.967625  0.582207  1
  Fe  Fe167  1  0.407076  0.634292  0.582207  1
  Fe  Fe168  1  0.740409  0.300959  0.582207  1
  Fe  Fe169  1  0.079977  0.349599  0.552136  1
  Fe  Fe170  1  0.067324  0.581943  0.614378  1
  Fe  Fe171  1  0.400657  0.248610  0.614378  1
  Fe  Fe172  1  0.245643  0.960995  0.565598  1
  Fe  Fe173  1  0.578976  0.627662  0.565598  1
  Fe  Fe174  1  0.565445  0.856782  0.625729  1
  Fe  Fe175  1  0.905106  0.908493  0.594624  1
  Fe  Fe176  1  0.238439  0.575160  0.594624  1
  Fe  Fe177  1  0.571772  0.241827  0.594624  1
  Fe  Fe178  1  0.912309  0.294329  0.565598  1
  Fe  Fe179  1  0.898779  0.523448  0.625729  1
  Fe  Fe180  1  0.232112  0.190115  0.625729  1
  Fe  Fe181  1  0.511076  0.763352  0.582963  1
  Fe  Fe182  1  0.844410  0.430019  0.582963  1
  Fe  Fe183  1  0.850932  0.812228  0.555678  1
  Fe  Fe184  1  0.173624  0.710987  0.614306  1
  Fe  Fe185  1  0.506957  0.377654  0.614306  1
  Fe  Fe186  1  0.840290  0.044321  0.614306  1
  Fe  Fe187  1  0.177743  0.096685  0.582963  1
  Fe  Fe188  1  0.184265  0.478894  0.555678  1
  Fe  Fe189  1  0.517599  0.145561  0.555678  1
  Fe  Fe190  1  0.342953  0.768597  0.601448  1
  Fe  Fe191  1  0.676286  0.435263  0.601448  1
  Fe  Fe192  1  0.682666  0.817092  0.572082  1
  Fe  Fe193  1  0.002910  0.716297  0.632913  1
  Fe  Fe194  1  0.336243  0.382964  0.632913  1
  Fe  Fe195  1  0.669576  0.049631  0.632913  1
  Fe  Fe196  1  0.009619  0.101930  0.601448  1
  Fe  Fe197  1  0.015999  0.483759  0.572082  1
  Fe  Fe198  1  0.349333  0.150426  0.572082  1
  Fe  Fe199  1  0.456227  0.808374  0.610367  1
  Fe  Fe200  1  0.789560  0.475041  0.610367  1
  Fe  Fe201  1  0.796807  0.860241  0.581374  1
  Fe  Fe202  1  0.136120  0.909873  0.550642  1
  Fe  Fe203  1  0.469453  0.576540  0.550642  1
  Fe  Fe204  1  0.802787  0.243207  0.550642  1
  Fe  Fe205  1  0.122894  0.141707  0.610367  1
  Fe  Fe206  1  0.130140  0.526908  0.581374  1
  Fe  Fe207  1  0.463473  0.193574  0.581374  1
  Fe  Fe208  1  0.298282  0.745574  0.548758  1
  Fe  Fe209  1  0.631615  0.412241  0.548758  1
  Fe  Fe210  1  0.618309  0.644091  0.610406  1
  Fe  Fe211  1  0.958468  0.694290  0.580354  1
  Fe  Fe212  1  0.291801  0.360957  0.580354  1
  Fe  Fe213  1  0.625135  0.027623  0.580354  1
  Fe  Fe214  1  0.964949  0.078907  0.548758  1
  Fe  Fe215  1  0.951642  0.310758  0.610406  1
  Fe  Fe216  1  0.284975  0.977424  0.610406  1
  Fe  Fe217  1  0.394280  0.865190  0.643606  1
  Fe  Fe218  1  0.727614  0.531857  0.643606  1
  Fe  Fe219  1  0.720785  0.760915  0.696924  1
  Fe  Fe220  1  0.057547  0.812065  0.670838  1
  Fe  Fe221  1  0.390880  0.478731  0.670838  1
  Fe  Fe222  1  0.724214  0.145398  0.670838  1
  Fe  Fe223  1  0.060947  0.198524  0.643606  1
  Fe  Fe224  1  0.054119  0.427582  0.696924  1
  Fe  Fe225  1  0.387452  0.094249  0.696924  1
  Fe  Fe226  1  0.225547  0.811253  0.658918  1
  Fe  Fe227  1  0.558880  0.477919  0.658918  1
  Fe  Fe228  1  0.542848  0.711315  0.706904  1
  Fe  Fe229  1  0.884737  0.756992  0.686909  1
  Fe  Fe230  1  0.218070  0.423658  0.686909  1
  Fe  Fe231  1  0.551404  0.090325  0.686909  1
  Fe  Fe232  1  0.892214  0.144586  0.658918  1
  Fe  Fe233  1  0.876181  0.377982  0.706904  1
  Fe  Fe234  1  0.209515  0.044648  0.706904  1
  Fe  Fe235  1  0.492431  0.615587  0.676878  1
  Fe  Fe236  1  0.825765  0.282253  0.676878  1
  Fe  Fe237  1  0.831410  0.659217  0.648382  1
  Fe  Fe238  1  0.158163  0.557986  0.696710  1
  Fe  Fe239  1  0.491497  0.224653  0.696710  1
  Fe  Fe240  1  0.824830  0.891319  0.696710  1
  Fe  Fe241  1  0.159098  0.948920  0.676878  1
  Fe  Fe242  1  0.164743  0.325883  0.648382  1
  Fe  Fe243  1  0.498076  0.992550  0.648382  1
  Fe  Fe244  1  0.320742  0.624198  0.685631  1
  Fe  Fe245  1  0.654075  0.290865  0.685631  1
  Fe  Fe246  1  0.661738  0.664874  0.661890  1
  Fe  Fe247  1  0.981236  0.571538  0.715696  1
  Fe  Fe248  1  0.314569  0.238205  0.715696  1
  Fe  Fe249  1  0.647902  0.904872  0.715696  1
  Fe  Fe250  1  0.987408  0.957531  0.685631  1
  Fe  Fe251  1  0.995072  0.331541  0.661890  1
  Fe  Fe252  1  0.328405  0.998208  0.661890  1
  Fe  Fe253  1  0.436801  0.667282  0.695036  1
  Fe  Fe254  1  0.770134  0.333949  0.695036  1
  Fe  Fe255  1  0.773744  0.708833  0.673877  1
  Fe  Fe256  1  0.111215  0.765173  0.647224  1
  Fe  Fe257  1  0.444549  0.431839  0.647224  1
  Fe  Fe258  1  0.777882  0.098506  0.647224  1
  Fe  Fe259  1  0.103468  1.000615  0.695036  1
  Fe  Fe260  1  0.107077  0.375500  0.673877  1
  Fe  Fe261  1  0.440411  0.042167  0.673877  1
  Fe  Fe262  1  0.282301  0.597343  0.646721  1
  Fe  Fe263  1  0.615634  0.264010  0.646721  1
  Fe  Fe264  1  0.600556  0.497946  0.698279  1
  Fe  Fe265  1  0.943472  0.543648  0.676779  1
  Fe  Fe266  1  0.276805  0.210315  0.676779  1
  Fe  Fe267  1  0.610139  0.876982  0.676779  1
  Fe  Fe268  1  0.948967  0.930676  0.646721  1
  Fe  Fe269  1  0.933889  0.164613  0.698279  1
  Fe  Fe270  1  0.267223  0.831279  0.698279  1
  P  P271  1  0.434939  0.447792  0.307678  1
  P  P272  1  0.768272  0.114459  0.307678  1
  P  P273  1  0.772788  0.500386  0.277881  1
  P  P274  1  0.097307  0.392849  0.334445  1
  P  P275  1  0.430640  0.059515  0.334445  1
  P  P276  1  0.763973  0.726182  0.334445  1
  P  P277  1  0.101605  0.781125  0.307678  1
  P  P278  1  0.106121  0.167053  0.277881  1
  P  P279  1  0.439454  0.833719  0.277881  1
  P  P280  1  0.262354  0.305120  0.343502  1
  P  P281  1  0.595687  0.971786  0.343502  1
  P  P282  1  0.601234  0.350135  0.314406  1
  P  P283  1  0.939063  0.405185  0.284176  1
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  P  P1222  1  0.128118  0.920607  0.709719  1
  P  P1223  1  0.136170  0.289550  0.680628  1
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  P  P1233  1  0.302726  0.934144  0.652417  1
  P  P1234  1  0.467589  0.696975  0.670324  1
  P  P1235  1  0.800922  0.363642  0.670324  1
  P  P1236  1  0.805161  0.739434  0.643743  1
  P  P1237  1  0.129021  0.630748  0.706491  1
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  P  P1261  1  0.245623  0.649476  0.666067  1
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  P  P1312  1  0.903145  0.939042  0.721490  1
  P  P1313  1  0.911416  0.318999  0.693499  1
  P  P1314  1  0.244749  0.985666  0.693499  1
  P  P1315  1  0.465508  0.801047  0.703529  1
  P  P1316  1  0.798842  0.467714  0.703529  1
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  P  P1318  1  0.139324  0.906572  0.643570  1
  P  P1319  1  0.472657  0.573238  0.643570  1
  P  P1320  1  0.805990  0.239905  0.643570  1
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  P  P1349  1  0.847269  0.319364  0.714974  1
  P  P1350  1  0.180603  0.986030  0.714974  1
