# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75539272
_cell_length_b   39.19875108
_cell_length_c   58.66329723
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.69863483
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   15533.059803
_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  0.465377  0.841798  0.269578  1
  Fe  Fe2  1  0.476023  0.436803  0.319026  1
  Fe  Fe3  1  0.475428  0.023715  0.374749  1
  Fe  Fe4  1  0.972573  0.465380  0.414934  1
  Fe  Fe5  1  0.972857  0.289935  0.302350  1
  Fe  Fe6  1  0.975332  0.878696  0.359403  1
  Fe  Fe7  1  0.705900  0.861239  0.308586  1
  Fe  Fe8  1  0.703135  0.448487  0.362717  1
  Fe  Fe9  1  0.729827  0.273367  0.263798  1
  Fe  Fe10  1  0.245500  0.777730  0.262640  1
  Fe  Fe11  1  0.206139  0.357327  0.309755  1
  Fe  Fe12  1  0.202660  0.944424  0.364920  1
  Fe  Fe13  1  0.976882  0.730947  0.346869  1
  Fe  Fe14  1  0.973896  0.317497  0.402057  1
  Fe  Fe15  1  0.978389  0.142083  0.290993  1
  Fe  Fe16  1  0.469708  0.584362  0.329005  1
  Fe  Fe17  1  0.473763  0.171723  0.387141  1
  Fe  Fe18  1  0.472739  0.001051  0.279280  1
  Fe  Fe19  1  0.203206  0.742057  0.391068  1
  Fe  Fe20  1  0.232690  0.569297  0.284514  1
  Fe  Fe21  1  0.204511  0.154869  0.334920  1
  Fe  Fe22  1  0.705527  0.651306  0.337104  1
  Fe  Fe23  1  0.701491  0.238592  0.393128  1
  Fe  Fe24  1  0.709867  0.064231  0.282666  1
  Fe  Fe25  1  0.472510  0.610987  0.429931  1
  Fe  Fe26  1  0.470107  0.198287  0.485555  1
  Fe  Fe27  1  0.468040  0.785608  0.541227  1
  Fe  Fe28  1  0.966081  0.227503  0.581977  1
  Fe  Fe29  1  0.970965  0.052773  0.471006  1
  Fe  Fe30  1  0.967796  0.639983  0.526319  1
  Fe  Fe31  1  0.697882  0.623068  0.474179  1
  Fe  Fe32  1  0.695332  0.210475  0.529915  1
  Fe  Fe33  1  0.700221  0.035718  0.419009  1
  Fe  Fe34  1  0.199223  0.532207  0.421057  1
  Fe  Fe35  1  0.197863  0.119620  0.476914  1
  Fe  Fe36  1  0.194875  0.706835  0.532319  1
  Fe  Fe37  1  0.967873  0.491814  0.513426  1
  Fe  Fe38  1  0.966243  0.079242  0.569443  1
  Fe  Fe39  1  0.971746  0.904832  0.458100  1
  Fe  Fe40  1  0.469223  0.346471  0.498594  1
  Fe  Fe41  1  0.467310  0.933841  0.554699  1
  Fe  Fe42  1  0.473126  0.759058  0.442936  1
  Fe  Fe43  1  0.193150  0.504024  0.557779  1
  Fe  Fe44  1  0.199365  0.329580  0.446337  1
  Fe  Fe45  1  0.197263  0.916974  0.502413  1
  Fe  Fe46  1  0.695848  0.413270  0.504641  1
  Fe  Fe47  1  0.694162  0.000627  0.560703  1
  Fe  Fe48  1  0.699396  0.826091  0.449214  1
  Fe  Fe49  1  0.464604  0.372931  0.597193  1
  Fe  Fe50  1  0.462521  0.960208  0.653522  1
  Fe  Fe51  1  0.449554  0.546936  0.706429  1
  Fe  Fe52  1  0.937754  0.988446  0.738779  1
  Fe  Fe53  1  0.964648  0.814491  0.637485  1
  Fe  Fe54  1  0.963417  0.403020  0.693262  1
  Fe  Fe55  1  0.691049  0.384812  0.641783  1
  Fe  Fe56  1  0.699577  0.973588  0.699015  1
  Fe  Fe57  1  0.691865  0.797853  0.585658  1
  Fe  Fe58  1  0.191621  0.294372  0.588295  1
  Fe  Fe59  1  0.190748  0.881765  0.644444  1
  Fe  Fe60  1  0.183235  0.469791  0.699315  1
  Fe  Fe61  1  0.959831  0.254173  0.679895  1
  Fe  Fe62  1  0.951197  0.837342  0.727943  1
  Fe  Fe63  1  0.960758  0.666589  0.624793  1
  Fe  Fe64  1  0.462414  0.108425  0.665711  1
  Fe  Fe65  1  0.459145  0.694621  0.720662  1
  Fe  Fe66  1  0.462513  0.520986  0.609976  1
  Fe  Fe67  1  0.194955  0.259870  0.721752  1
  Fe  Fe68  1  0.193369  0.091277  0.613767  1
  Fe  Fe69  1  0.190735  0.677315  0.668691  1
  Fe  Fe70  1  0.691837  0.174640  0.671197  1
  Fe  Fe71  1  0.687409  0.757818  0.722895  1
  Fe  Fe72  1  0.690126  0.587917  0.615968  1
  P  P73  1  0.958048  0.890786  0.287788  1
  P  P74  1  0.960873  0.477831  0.344225  1
  P  P75  1  0.959238  0.065211  0.400707  1
  P  P76  1  0.482875  0.743551  0.274156  1
  P  P77  1  0.459254  0.331419  0.329676  1
  P  P78  1  0.459426  0.918840  0.385666  1
  P  P79  1  0.959630  0.832046  0.331675  1
  P  P80  1  0.958676  0.418863  0.385979  1
  P  P81  1  0.983858  0.242472  0.274018  1
  P  P82  1  0.990204  0.743725  0.274405  1
  P  P83  1  0.964206  0.331198  0.332105  1
  P  P84  1  0.962194  0.918959  0.388243  1
  P  P85  1  0.475613  0.832684  0.332377  1
  P  P86  1  0.466834  0.419974  0.385887  1
  P  P87  1  0.475108  0.243911  0.276109  1
  P  P88  1  0.728072  0.670591  0.269456  1
  P  P89  1  0.719588  0.259346  0.324697  1
  P  P90  1  0.716063  0.847385  0.379933  1
  P  P91  1  0.726782  0.758870  0.323053  1
  P  P92  1  0.714701  0.344884  0.379908  1
  P  P93  1  0.726781  0.169685  0.267834  1
  P  P94  1  0.459350  0.565562  0.400299  1
  P  P95  1  0.459849  0.392559  0.288499  1
  P  P96  1  0.462218  0.978312  0.344921  1
  P  P97  1  0.210378  0.819545  0.287351  1
  P  P98  1  0.215539  0.405760  0.338020  1
  P  P99  1  0.215136  0.992524  0.394055  1
  P  P100  1  0.226258  0.757680  0.324990  1
  P  P101  1  0.216573  0.345448  0.379552  1
  P  P102  1  0.223541  0.168795  0.268145  1
  P  P103  1  0.966312  0.565317  0.400957  1
  P  P104  1  0.973911  0.391224  0.289670  1
  P  P105  1  0.969301  0.977933  0.345282  1
  P  P106  1  0.228616  0.671064  0.268680  1
  P  P107  1  0.218669  0.259331  0.323037  1
  P  P108  1  0.216221  0.846440  0.379748  1
  P  P109  1  0.714684  0.493251  0.393408  1
  P  P110  1  0.716978  0.321570  0.282846  1
  P  P111  1  0.716772  0.906486  0.337345  1
  P  P112  1  0.468082  0.893624  0.285909  1
  P  P113  1  0.462319  0.481395  0.344340  1
  P  P114  1  0.461394  0.068725  0.400423  1
  P  P115  1  0.735124  0.815831  0.280639  1
  P  P116  1  0.714832  0.402586  0.336676  1
  P  P117  1  0.715357  0.990146  0.392946  1
  P  P118  1  0.213994  0.491339  0.391661  1
  P  P119  1  0.220179  0.317573  0.278828  1
  P  P120  1  0.218739  0.903334  0.335024  1
  P  P121  1  0.464493  0.771369  0.372678  1
  P  P122  1  0.472712  0.598521  0.261680  1
  P  P123  1  0.463690  0.184028  0.316347  1
  P  P124  1  0.958892  0.625339  0.358062  1
  P  P125  1  0.958022  0.212465  0.413637  1
  P  P126  1  0.962770  0.038154  0.302992  1
  P  P127  1  0.459604  0.712430  0.414048  1
  P  P128  1  0.475437  0.537105  0.303190  1
  P  P129  1  0.459958  0.125052  0.358292  1
  P  P130  1  0.464306  0.625016  0.359951  1
  P  P131  1  0.459864  0.212447  0.416048  1
  P  P132  1  0.464361  0.039422  0.306622  1
  P  P133  1  0.966226  0.713571  0.413803  1
  P  P134  1  0.978596  0.539307  0.303813  1
  P  P135  1  0.968467  0.126478  0.358190  1
  P  P136  1  0.216772  0.553667  0.351332  1
  P  P137  1  0.212440  0.140487  0.406832  1
  P  P138  1  0.217737  0.965487  0.296076  1
  P  P139  1  0.213688  0.638546  0.407910  1
  P  P140  1  0.223227  0.464861  0.295744  1
  P  P141  1  0.213884  0.051373  0.353119  1
  P  P142  1  0.966237  0.685982  0.316915  1
  P  P143  1  0.963050  0.271940  0.372553  1
  P  P144  1  0.963970  0.096518  0.260784  1
  P  P145  1  0.716447  0.699585  0.365724  1
  P  P146  1  0.726268  0.527943  0.257105  1
  P  P147  1  0.717432  0.112318  0.310442  1
  P  P148  1  0.714995  0.639047  0.407462  1
  P  P149  1  0.720964  0.464394  0.295913  1
  P  P150  1  0.719167  0.051848  0.352553  1
  P  P151  1  0.475252  0.685066  0.317106  1
  P  P152  1  0.467873  0.271739  0.373226  1
  P  P153  1  0.474081  0.096145  0.262024  1
  P  P154  1  0.714771  0.552999  0.351425  1
  P  P155  1  0.714392  0.139777  0.407068  1
  P  P156  1  0.714987  0.965673  0.295248  1
  P  P157  1  0.218391  0.614665  0.310487  1
  P  P158  1  0.217143  0.199717  0.365407  1
  P  P159  1  0.223131  0.023777  0.256150  1
  P  P160  1  0.963741  0.775185  0.372427  1
  P  P161  1  0.985372  0.598326  0.260730  1
  P  P162  1  0.964972  0.187990  0.316046  1
  P  P163  1  0.216757  0.696281  0.364968  1
  P  P164  1  0.223948  0.525515  0.255041  1
  P  P165  1  0.215842  0.109056  0.309162  1
  P  P166  1  0.725896  0.610483  0.308124  1
  P  P167  1  0.716578  0.197361  0.363954  1
  P  P168  1  0.716674  0.021753  0.252877  1
  P  P169  1  0.956510  0.652410  0.455735  1
  P  P170  1  0.953828  0.239863  0.511504  1
  P  P171  1  0.951477  0.827237  0.567387  1
  P  P172  1  0.455961  0.506121  0.441497  1
  P  P173  1  0.454194  0.093597  0.497497  1
  P  P174  1  0.451268  0.680797  0.552742  1
  P  P175  1  0.954134  0.593431  0.497463  1
  P  P176  1  0.952171  0.180830  0.553090  1
  P  P177  1  0.957543  0.006156  0.442146  1
  P  P178  1  0.958034  0.506046  0.443911  1
  P  P179  1  0.956460  0.093489  0.499903  1
  P  P180  1  0.952908  0.680696  0.555134  1
  P  P181  1  0.461717  0.594600  0.497313  1
  P  P182  1  0.459434  0.181938  0.552920  1
  P  P183  1  0.464714  0.007299  0.441975  1
  P  P184  1  0.710965  0.434109  0.434617  1
  P  P185  1  0.709172  0.021498  0.490691  1
  P  P186  1  0.705738  0.608673  0.545979  1
  P  P187  1  0.708681  0.519601  0.491573  1
  P  P188  1  0.707098  0.107008  0.547498  1
  P  P189  1  0.712548  0.932350  0.436041  1
  P  P190  1  0.451733  0.327601  0.567358  1
  P  P191  1  0.457062  0.152875  0.455851  1
  P  P192  1  0.454718  0.740197  0.511461  1
  P  P193  1  0.211842  0.580116  0.449548  1
  P  P194  1  0.209620  0.167538  0.505243  1
  P  P195  1  0.206969  0.754764  0.560759  1
  P  P196  1  0.210907  0.519926  0.491098  1
  P  P197  1  0.209387  0.107296  0.547019  1
  P  P198  1  0.214835  0.932665  0.435646  1
  P  P199  1  0.958890  0.327386  0.568146  1
  P  P200  1  0.964715  0.152639  0.456664  1
  P  P201  1  0.962091  0.739976  0.512242  1
  P  P202  1  0.213083  0.433450  0.434768  1
  P  P203  1  0.211391  0.020875  0.490899  1
  P  P204  1  0.207901  0.608098  0.546183  1
  P  P205  1  0.707540  0.255283  0.560558  1
  P  P206  1  0.712753  0.080611  0.449579  1
  P  P207  1  0.710001  0.667839  0.504817  1
  P  P208  1  0.458798  0.655968  0.455641  1
  P  P209  1  0.456234  0.243383  0.511340  1
  P  P210  1  0.453417  0.830730  0.567157  1
  P  P211  1  0.711478  0.577412  0.448324  1
  P  P212  1  0.709237  0.164788  0.503980  1
  P  P213  1  0.706733  0.752157  0.559583  1
  P  P214  1  0.207222  0.253452  0.558816  1
  P  P215  1  0.212709  0.078680  0.447777  1
  P  P216  1  0.209457  0.665932  0.503027  1
  P  P217  1  0.451695  0.533394  0.539361  1
  P  P218  1  0.457975  0.358812  0.427870  1
  P  P219  1  0.455824  0.946238  0.483982  1
  P  P220  1  0.952298  0.387214  0.525134  1
  P  P221  1  0.950513  0.974630  0.581247  1
  P  P222  1  0.956062  0.799909  0.469581  1
  P  P223  1  0.449461  0.474440  0.581113  1
  P  P224  1  0.455750  0.299922  0.469671  1
  P  P225  1  0.453722  0.887364  0.525735  1
  P  P226  1  0.454574  0.387102  0.527580  1
  P  P227  1  0.453265  0.974379  0.583712  1
  P  P228  1  0.457911  0.799799  0.471940  1
  P  P229  1  0.957324  0.475581  0.580927  1
  P  P230  1  0.963374  0.301063  0.469506  1
  P  P231  1  0.961539  0.888474  0.525596  1
  P  P232  1  0.207455  0.315166  0.518267  1
  P  P233  1  0.205728  0.902601  0.574470  1
  P  P234  1  0.210534  0.727757  0.462469  1
  P  P235  1  0.205024  0.400664  0.575259  1
  P  P236  1  0.210589  0.226028  0.463713  1
  P  P237  1  0.208334  0.813441  0.519552  1
  P  P238  1  0.955388  0.446486  0.483660  1
  P  P239  1  0.953660  0.033885  0.539713  1
  P  P240  1  0.959834  0.859400  0.428465  1
  P  P241  1  0.707564  0.461104  0.533140  1
  P  P242  1  0.713748  0.286517  0.421697  1
  P  P243  1  0.711574  0.873968  0.477751  1
  P  P244  1  0.707339  0.400979  0.574865  1
  P  P245  1  0.712873  0.226351  0.463229  1
  P  P246  1  0.710762  0.813780  0.519076  1
  P  P247  1  0.462844  0.446294  0.484480  1
  P  P248  1  0.461327  0.033674  0.540546  1
  P  P249  1  0.466355  0.859148  0.429213  1
  P  P250  1  0.709534  0.314541  0.518426  1
  P  P251  1  0.707554  0.901927  0.574557  1
  P  P252  1  0.712927  0.727114  0.462730  1
  P  P253  1  0.211351  0.374252  0.477060  1
  P  P254  1  0.209475  0.961642  0.533192  1
  P  P255  1  0.215308  0.786955  0.421553  1
  P  P256  1  0.954218  0.536931  0.539205  1
  P  P257  1  0.959897  0.362398  0.427744  1
  P  P258  1  0.958023  0.949772  0.483860  1
  P  P259  1  0.207190  0.458391  0.531868  1
  P  P260  1  0.213187  0.283875  0.420565  1
  P  P261  1  0.211078  0.871275  0.476563  1
  P  P262  1  0.710823  0.372354  0.475272  1
  P  P263  1  0.709002  0.959739  0.531374  1
  P  P264  1  0.715376  0.785069  0.419920  1
  P  P265  1  0.948664  0.414302  0.623187  1
  P  P266  1  0.947579  0.001886  0.678252  1
  P  P267  1  0.949012  0.589769  0.732877  1
  P  P268  1  0.448862  0.268314  0.608602  1
  P  P269  1  0.444568  0.855165  0.665270  1
  P  P270  1  0.445537  0.444344  0.719713  1
  P  P271  1  0.948108  0.355191  0.665169  1
  P  P272  1  0.943797  0.939075  0.721382  1
  P  P273  1  0.949448  0.768183  0.608647  1
  P  P274  1  0.949590  0.268160  0.611042  1
  P  P275  1  0.944134  0.856007  0.665971  1
  P  P276  1  0.946108  0.443202  0.723820  1
  P  P277  1  0.453353  0.356790  0.664733  1
  P  P278  1  0.448670  0.944828  0.720969  1
  P  P279  1  0.455710  0.769192  0.608456  1
  P  P280  1  0.704192  0.195933  0.601387  1
  P  P281  1  0.699257  0.783251  0.656956  1
  P  P282  1  0.702672  0.371433  0.712730  1
  P  P283  1  0.701239  0.282148  0.659235  1
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