# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.12460340
_cell_length_b   18.44538722
_cell_length_c   52.47198855
_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   15606.4577614
_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  0.399806  0.765488  0.318829  1
  Fe  Fe2  1  0.398934  0.445485  0.339153  1
  Fe  Fe3  1  0.399837  0.086306  0.302661  1
  Fe  Fe4  1  0.899710  0.551563  0.324934  1
  Fe  Fe5  1  0.901872  0.194810  0.289553  1
  Fe  Fe6  1  0.898990  0.867632  0.303440  1
  Fe  Fe7  1  0.087791  0.516803  0.264147  1
  Fe  Fe8  1  0.089951  0.228767  0.343616  1
  Fe  Fe9  1  0.089085  0.908214  0.366226  1
  Fe  Fe10  1  0.589608  0.726346  0.263085  1
  Fe  Fe11  1  0.587628  0.411207  0.277091  1
  Fe  Fe12  1  0.588988  0.122090  0.360095  1
  Fe  Fe13  1  0.241292  0.449146  0.246686  1
  Fe  Fe14  1  0.245938  0.155104  0.322628  1
  Fe  Fe15  1  0.244509  0.837476  0.341990  1
  Fe  Fe16  1  0.743350  0.479776  0.300194  1
  Fe  Fe17  1  0.744950  0.193897  0.384238  1
  Fe  Fe18  1  0.745278  0.793139  0.284074  1
  Fe  Fe19  1  0.399179  0.840773  0.443797  1
  Fe  Fe20  1  0.399242  0.520565  0.464510  1
  Fe  Fe21  1  0.400078  0.160840  0.423298  1
  Fe  Fe22  1  0.899292  0.628054  0.448861  1
  Fe  Fe23  1  0.900283  0.266030  0.407539  1
  Fe  Fe24  1  0.899484  0.947921  0.428482  1
  Fe  Fe25  1  0.087659  0.589812  0.386859  1
  Fe  Fe26  1  0.089123  0.305436  0.470078  1
  Fe  Fe27  1  0.089107  0.985659  0.490830  1
  Fe  Fe28  1  0.587922  0.804635  0.381300  1
  Fe  Fe29  1  0.588913  0.482179  0.402090  1
  Fe  Fe30  1  0.588718  0.198319  0.485782  1
  Fe  Fe31  1  0.244172  0.517823  0.362827  1
  Fe  Fe32  1  0.244373  0.232040  0.447156  1
  Fe  Fe33  1  0.244245  0.913264  0.467329  1
  Fe  Fe34  1  0.743795  0.556260  0.425042  1
  Fe  Fe35  1  0.744212  0.270182  0.509615  1
  Fe  Fe36  1  0.743714  0.875725  0.405122  1
  Fe  Fe37  1  0.399484  0.916268  0.568646  1
  Fe  Fe38  1  0.400283  0.598159  0.589589  1
  Fe  Fe39  1  0.399292  0.236135  0.548267  1
  Fe  Fe40  1  0.900078  0.703349  0.573830  1
  Fe  Fe41  1  0.899242  0.343624  0.532618  1
  Fe  Fe42  1  0.899179  0.023416  0.553331  1
  Fe  Fe43  1  0.088718  0.665870  0.511346  1
  Fe  Fe44  1  0.088913  0.382010  0.595039  1
  Fe  Fe45  1  0.087922  0.059554  0.615829  1
  Fe  Fe46  1  0.589107  0.878530  0.506299  1
  Fe  Fe47  1  0.589123  0.558753  0.527050  1
  Fe  Fe48  1  0.587659  0.274378  0.610269  1
  Fe  Fe49  1  0.244212  0.594007  0.487514  1
  Fe  Fe50  1  0.243795  0.307930  0.572087  1
  Fe  Fe51  1  0.243714  0.988464  0.592006  1
  Fe  Fe52  1  0.744373  0.632150  0.549973  1
  Fe  Fe53  1  0.744172  0.346367  0.634302  1
  Fe  Fe54  1  0.744245  0.950925  0.529799  1
  Fe  Fe55  1  0.398990  0.996557  0.693689  1
  Fe  Fe56  1  0.401872  0.669379  0.707576  1
  Fe  Fe57  1  0.399710  0.312627  0.672195  1
  Fe  Fe58  1  0.899837  0.777883  0.694467  1
  Fe  Fe59  1  0.898934  0.418704  0.657975  1
  Fe  Fe60  1  0.899806  0.098701  0.678299  1
  Fe  Fe61  1  0.088988  0.742099  0.637034  1
  Fe  Fe62  1  0.087628  0.452982  0.720037  1
  Fe  Fe63  1  0.089608  0.137844  0.734043  1
  Fe  Fe64  1  0.589085  0.955975  0.630902  1
  Fe  Fe65  1  0.589951  0.635422  0.653512  1
  Fe  Fe66  1  0.587791  0.347387  0.732981  1
  Fe  Fe67  1  0.244950  0.670293  0.612890  1
  Fe  Fe68  1  0.243350  0.384413  0.696934  1
  Fe  Fe69  1  0.245278  0.071050  0.713055  1
  Fe  Fe70  1  0.745938  0.709085  0.674501  1
  Fe  Fe71  1  0.741292  0.415044  0.750442  1
  Fe  Fe72  1  0.744509  0.026714  0.655138  1
  P  P73  1  0.493394  0.662131  0.326295  1
  P  P74  1  0.493099  0.342382  0.346232  1
  P  P75  1  0.493528  0.986465  0.303665  1
  P  P76  1  -0.005846  0.655098  0.318253  1
  P  P77  1  0.987386  0.288722  0.275413  1
  P  P78  1  0.989495  0.973104  0.296148  1
  P  P79  1  -0.003434  0.617914  0.256060  1
  P  P80  1  -0.002233  0.332088  0.337375  1
  P  P81  1  0.993214  0.010908  0.359545  1
  P  P82  1  0.496954  0.626697  0.263021  1
  P  P83  1  0.493233  0.307237  0.283742  1
  P  P84  1  0.494112  0.020091  0.366991  1
  P  P85  1  0.492661  0.442856  0.242005  1
  P  P86  1  0.493208  0.159341  0.324446  1
  P  P87  1  0.491716  0.838036  0.344915  1
  P  P88  1  0.990474  0.479266  0.297856  1
  P  P89  1  0.992340  0.196125  0.379736  1
  P  P90  1  0.987519  0.798416  0.276234  1
  P  P91  1  0.831873  0.759360  0.315721  1
  P  P92  1  0.829765  0.442064  0.335258  1
  P  P93  1  0.826976  0.087934  0.290071  1
  P  P94  1  0.329700  0.556249  0.329230  1
  P  P95  1  0.334345  0.187433  0.285469  1
  P  P96  1  0.328931  0.876748  0.306636  1
  P  P97  1  0.660602  0.519141  0.264958  1
  P  P98  1  0.658495  0.232079  0.350179  1
  P  P99  1  0.657905  0.915099  0.370420  1
  P  P100  1  0.159035  0.720944  0.253328  1
  P  P101  1  0.152377  0.402547  0.274279  1
  P  P102  1  0.157744  0.118669  0.356030  1
  P  P103  1  0.665404  0.684778  0.294021  1
  P  P104  1  0.662217  0.372332  0.310827  1
  P  P105  1  0.663615  0.086184  0.394376  1
  P  P106  1  0.172758  0.549704  0.228784  1
  P  P107  1  0.166177  0.259144  0.309121  1
  P  P108  1  0.160893  0.944895  0.331841  1
  P  P109  1  0.826598  0.586900  0.290960  1
  P  P110  1  0.825385  0.302685  0.374038  1
  P  P111  1  0.813128  0.902997  0.268866  1
  P  P112  1  0.324364  0.728346  0.352828  1
  P  P113  1  0.320592  0.343568  0.246726  1
  P  P114  1  0.322851  0.044944  0.333646  1
  P  P115  1  0.817529  0.726934  0.251850  1
  P  P116  1  0.828198  0.407193  0.272859  1
  P  P117  1  0.827526  0.126070  0.354566  1
  P  P118  1  0.329037  0.516086  0.269140  1
  P  P119  1  0.328289  0.229299  0.349680  1
  P  P120  1  0.327516  0.903548  0.371359  1
  P  P121  1  0.660264  0.544283  0.330590  1
  P  P122  1  0.657150  0.197849  0.288782  1
  P  P123  1  0.660717  0.868902  0.309517  1
  P  P124  1  0.160366  0.767124  0.314028  1
  P  P125  1  0.160444  0.446114  0.334808  1
  P  P126  1  0.167134  0.082616  0.292232  1
  P  P127  1  0.326860  0.699116  0.288688  1
  P  P128  1  0.325044  0.373189  0.310356  1
  P  P129  1  0.326386  0.093832  0.393235  1
  P  P130  1  0.831440  0.543165  0.232357  1
  P  P131  1  0.823659  0.265224  0.313336  1
  P  P132  1  0.826348  0.942486  0.332231  1
  P  P133  1  0.160464  0.584587  0.293554  1
  P  P134  1  0.162717  0.300124  0.373196  1
  P  P135  1  0.158327  0.896030  0.272632  1
  P  P136  1  0.661623  0.735732  0.352708  1
  P  P137  1  0.660700  0.339370  0.248293  1
  P  P138  1  0.662985  0.056513  0.329535  1
  P  P139  1  0.495944  0.480949  0.303906  1
  P  P140  1  0.496220  0.194841  0.387111  1
  P  P141  1  0.497619  0.800713  0.282344  1
  P  P142  1  0.001979  0.445388  0.235706  1
  P  P143  1  -0.001343  0.151803  0.317774  1
  P  P144  1  -0.003672  0.837693  0.338871  1
  P  P145  1  0.495229  0.738164  0.450635  1
  P  P146  1  0.493159  0.417093  0.471493  1
  P  P147  1  0.495764  0.058486  0.429603  1
  P  P148  1  -0.004806  0.730169  0.442575  1
  P  P149  1  0.993464  0.370512  0.400492  1
  P  P150  1  -0.004230  0.050575  0.421560  1
  P  P151  1  0.991841  0.692535  0.380213  1
  P  P152  1  -0.004728  0.408841  0.463099  1
  P  P153  1  0.993010  0.088303  0.484057  1
  P  P154  1  0.491866  0.701491  0.388238  1
  P  P155  1  0.495272  0.378548  0.409017  1
  P  P156  1  0.492978  0.096037  0.492148  1
  P  P157  1  0.491756  0.515739  0.366746  1
  P  P158  1  0.492337  0.232863  0.449908  1
  P  P159  1  0.491928  0.912448  0.470672  1
  P  P160  1  0.991615  0.555237  0.422355  1
  P  P161  1  0.992240  0.272304  0.505570  1
  P  P162  1  0.991870  0.875525  0.401696  1
  P  P163  1  0.830878  0.836638  0.439310  1
  P  P164  1  0.829860  0.518622  0.459744  1
  P  P165  1  0.831093  0.156704  0.418342  1
  P  P166  1  0.330796  0.631124  0.453765  1
  P  P167  1  0.329986  0.269661  0.412331  1
  P  P168  1  0.331060  0.952020  0.432927  1
  P  P169  1  0.656412  0.593402  0.391471  1
  P  P170  1  0.658348  0.307622  0.474965  1
  P  P171  1  0.657392  0.989718  0.495428  1
  P  P172  1  0.157235  0.798191  0.377000  1
  P  P173  1  0.158252  0.480191  0.397373  1
  P  P174  1  0.157621  0.195036  0.480928  1
  P  P175  1  0.662928  0.766416  0.415579  1
  P  P176  1  0.663977  0.447122  0.436028  1
  P  P177  1  0.663629  0.161652  0.519602  1
  P  P178  1  0.163168  0.626637  0.353596  1
  P  P179  1  0.164039  0.340553  0.436037  1
  P  P180  1  0.163640  0.022794  0.456701  1
  P  P181  1  0.824018  0.665094  0.415059  1
  P  P182  1  0.824360  0.379023  0.498704  1
  P  P183  1  0.824974  0.984698  0.394357  1
  P  P184  1  0.324809  0.803677  0.477947  1
  P  P185  1  0.324550  0.409273  0.373336  1
  P  P186  1  0.324994  0.123842  0.457178  1
  P  P187  1  0.826858  0.809382  0.375698  1
  P  P188  1  0.827884  0.484075  0.397264  1
  P  P189  1  0.827769  0.203849  0.479760  1
  P  P190  1  0.327430  0.584720  0.392562  1
  P  P191  1  0.328301  0.304353  0.474982  1
  P  P192  1  0.327457  0.980604  0.496402  1
  P  P193  1  0.660440  0.622449  0.454911  1
  P  P194  1  0.660583  0.265489  0.412643  1
  P  P195  1  0.660850  0.943219  0.433985  1
  P  P196  1  0.160783  0.845826  0.438338  1
  P  P197  1  0.160080  0.521666  0.459649  1
  P  P198  1  0.160884  0.166005  0.417162  1
  P  P199  1  0.324792  0.772495  0.414467  1
  P  P200  1  0.325807  0.449432  0.435587  1
  P  P201  1  0.325554  0.169324  0.518085  1
  P  P202  1  0.823968  0.618725  0.354444  1
  P  P203  1  0.826113  0.338377  0.436524  1
  P  P204  1  0.825624  0.015837  0.457959  1
  P  P205  1  0.162147  0.656728  0.416926  1
  P  P206  1  0.162541  0.376556  0.498941  1
  P  P207  1  0.163723  0.977595  0.395360  1
  P  P208  1  0.662947  0.810592  0.476804  1
  P  P209  1  0.662647  0.410501  0.373470  1
  P  P210  1  0.662974  0.131150  0.455681  1
  P  P211  1  0.495857  0.553832  0.429066  1
  P  P212  1  0.496191  0.270779  0.512436  1
  P  P213  1  0.496107  0.875146  0.408116  1
  P  P214  1  -0.003716  0.517137  0.360054  1
  P  P215  1  -0.003640  0.233893  0.442976  1
  P  P216  1  -0.003551  0.913989  0.464014  1
  P  P217  1  0.495770  0.813614  0.575568  1
  P  P218  1  0.493464  0.493677  0.596637  1
  P  P219  1  0.495194  0.134020  0.554553  1
  P  P220  1  -0.004236  0.805703  0.567525  1
  P  P221  1  0.993159  0.447096  0.525635  1
  P  P222  1  -0.004771  0.126025  0.546493  1
  P  P223  1  0.992978  0.768152  0.504980  1
  P  P224  1  -0.004728  0.485641  0.588112  1
  P  P225  1  0.991866  0.162698  0.608890  1
  P  P226  1  0.493010  0.775887  0.513071  1
  P  P227  1  0.495272  0.455348  0.534030  1
  P  P228  1  0.491841  0.171655  0.616915  1
  P  P229  1  0.492240  0.591885  0.491558  1
  P  P230  1  0.491615  0.308952  0.574774  1
  P  P231  1  0.491870  0.988664  0.595433  1
  P  P232  1  0.992337  0.631326  0.547220  1
  P  P233  1  0.991756  0.348450  0.630383  1
  P  P234  1  0.991928  0.951741  0.526456  1
  P  P235  1  0.831060  0.912169  0.564202  1
  P  P236  1  0.829986  0.594529  0.584797  1
  P  P237  1  0.830796  0.233065  0.543363  1
  P  P238  1  0.331093  0.707486  0.578786  1
  P  P239  1  0.329860  0.345568  0.537384  1
  P  P240  1  0.330878  0.027551  0.557818  1
  P  P241  1  0.657621  0.669154  0.516200  1
  P  P242  1  0.658252  0.383998  0.599756  1
  P  P243  1  0.657235  0.065999  0.620128  1
  P  P244  1  0.157392  0.874471  0.501700  1
  P  P245  1  0.158348  0.556567  0.522163  1
  P  P246  1  0.156412  0.270787  0.605657  1
  P  P247  1  0.663640  0.841395  0.540427  1
  P  P248  1  0.664039  0.523636  0.561092  1
  P  P249  1  0.663168  0.237552  0.643533  1
  P  P250  1  0.163629  0.702538  0.477526  1
  P  P251  1  0.163977  0.417068  0.561100  1
  P  P252  1  0.162928  0.097773  0.581549  1
  P  P253  1  0.824994  0.740347  0.539950  1
  P  P254  1  0.824550  0.454916  0.623792  1
  P  P255  1  0.824809  0.060512  0.519182  1
  P  P256  1  0.324974  0.879492  0.602772  1
  P  P257  1  0.324360  0.485167  0.498424  1
  P  P258  1  0.324018  0.199095  0.582069  1
  P  P259  1  0.827457  0.883585  0.500726  1
  P  P260  1  0.828301  0.559836  0.522146  1
  P  P261  1  0.827430  0.279469  0.604566  1
  P  P262  1  0.327769  0.660340  0.517369  1
  P  P263  1  0.327884  0.380114  0.599864  1
  P  P264  1  0.326858  0.054807  0.621431  1
  P  P265  1  0.660884  0.698184  0.579966  1
  P  P266  1  0.660080  0.342523  0.537479  1
  P  P267  1  0.660783  0.018363  0.558790  1
  P  P268  1  0.160850  0.920971  0.563144  1
  P  P269  1  0.160583  0.598701  0.584485  1
  P  P270  1  0.160440  0.241741  0.542217  1
  P  P271  1  0.325624  0.848352  0.539169  1
  P  P272  1  0.326113  0.525812  0.560604  1
  P  P273  1  0.323968  0.245464  0.642685  1
  P  P274  1  0.825554  0.694866  0.479044  1
  P  P275  1  0.825807  0.414757  0.561541  1
  P  P276  1  0.824792  0.091695  0.582662  1
  P  P277  1  0.162974  0.733040  0.541448  1
  P  P278  1  0.162647  0.453688  0.623659  1
  P  P279  1  0.162947  0.053597  0.520324  1
  P  P280  1  0.663723  0.886594  0.601768  1
  P  P281  1  0.662541  0.487634  0.498187  1
  P  P282  1  0.662147  0.207461  0.580202  1
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