# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.75633462
_cell_length_b   22.30142394
_cell_length_c   49.89237201
_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   17531.6156434
_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  0.572291  0.897350  0.327127  1
  Fe  Fe2  1  0.600370  0.181853  0.354266  1
  Fe  Fe3  1  0.583606  0.617986  0.296500  1
  Fe  Fe4  1  0.103328  0.794374  0.378933  1
  Fe  Fe5  1  0.115478  0.226773  0.310131  1
  Fe  Fe6  1  0.103675  0.513951  0.342078  1
  Fe  Fe7  1  0.908246  0.653739  0.360121  1
  Fe  Fe8  1  0.903921  0.083852  0.294108  1
  Fe  Fe9  1  0.908122  0.369623  0.324026  1
  Fe  Fe10  1  0.426914  0.760687  0.315871  1
  Fe  Fe11  1  0.410348  0.042116  0.338970  1
  Fe  Fe12  1  0.409522  0.329114  0.373029  1
  Fe  Fe13  1  0.774975  0.843868  0.298155  1
  Fe  Fe14  1  0.754408  0.133712  0.322500  1
  Fe  Fe15  1  0.760878  0.415459  0.354788  1
  Fe  Fe16  1  0.248199  0.559841  0.374347  1
  Fe  Fe17  1  0.248014  -0.003115  0.316408  1
  Fe  Fe18  1  0.259365  0.279920  0.339707  1
  Fe  Fe19  1  0.597374  0.759262  0.438021  1
  Fe  Fe20  1  0.594467  0.047303  0.471274  1
  Fe  Fe21  1  0.596320  0.473659  0.396311  1
  Fe  Fe22  1  0.102587  0.651678  0.491563  1
  Fe  Fe23  1  0.100972  0.080552  0.415806  1
  Fe  Fe24  1  0.101400  0.366241  0.452698  1
  Fe  Fe25  1  0.908367  0.509672  0.470859  1
  Fe  Fe26  1  0.909816  0.938904  0.398019  1
  Fe  Fe27  1  0.907669  0.223450  0.434326  1
  Fe  Fe28  1  0.413029  0.616819  0.416926  1
  Fe  Fe29  1  0.415860  0.903329  0.455662  1
  Fe  Fe30  1  0.415809  0.190515  0.489292  1
  Fe  Fe31  1  0.762768  0.697409  0.394757  1
  Fe  Fe32  1  0.760205  0.983982  0.432483  1
  Fe  Fe33  1  0.758395  0.272540  0.467896  1
  Fe  Fe34  1  0.248546  0.413638  0.486115  1
  Fe  Fe35  1  0.248210  0.842510  0.412931  1
  Fe  Fe36  1  0.249656  0.127457  0.450297  1
  Fe  Fe37  1  0.596221  0.618509  0.546025  1
  Fe  Fe38  1  0.597249  0.903861  0.583939  1
  Fe  Fe39  1  0.596410  0.333331  0.506466  1
  Fe  Fe40  1  0.096202  0.509670  0.599426  1
  Fe  Fe41  1  0.102317  0.938055  0.528398  1
  Fe  Fe42  1  0.095018  0.222604  0.559832  1
  Fe  Fe43  1  0.906701  0.367817  0.581948  1
  Fe  Fe44  1  0.909116  0.794838  0.510046  1
  Fe  Fe45  1  0.909026  0.081456  0.546338  1
  Fe  Fe46  1  0.413801  0.475335  0.526872  1
  Fe  Fe47  1  0.414572  0.760346  0.565637  1
  Fe  Fe48  1  0.415948  0.046358  0.602300  1
  Fe  Fe49  1  0.761407  0.557144  0.505179  1
  Fe  Fe50  1  0.763421  0.842721  0.543210  1
  Fe  Fe51  1  0.761377  0.128759  0.580614  1
  Fe  Fe52  1  0.262580  0.282894  0.602097  1
  Fe  Fe53  1  0.248284  0.699047  0.525133  1
  Fe  Fe54  1  0.249105  0.987648  0.560797  1
  Fe  Fe55  1  0.596870  0.472145  0.656022  1
  Fe  Fe56  1  0.618341  0.756557  0.687006  1
  Fe  Fe57  1  0.595731  0.188541  0.619792  1
  Fe  Fe58  1  0.091737  0.365479  0.698992  1
  Fe  Fe59  1  0.103008  0.798578  0.642443  1
  Fe  Fe60  1  0.100424  0.082915  0.676871  1
  Fe  Fe61  1  0.932374  0.232566  0.687326  1
  Fe  Fe62  1  0.908777  0.653286  0.622915  1
  Fe  Fe63  1  0.911048  0.941817  0.659809  1
  Fe  Fe64  1  0.406607  0.331548  0.635421  1
  Fe  Fe65  1  0.408108  0.612675  0.672520  1
  Fe  Fe66  1  0.408003  0.900647  0.702089  1
  Fe  Fe67  1  0.759861  0.413746  0.615449  1
  Fe  Fe68  1  0.759195  0.703029  0.657221  1
  Fe  Fe69  1  0.757182  0.992570  0.686288  1
  Fe  Fe70  1  0.260491  0.130935  0.698659  1
  Fe  Fe71  1  0.261421  0.567394  0.641749  1
  Fe  Fe72  1  0.258250  0.847231  0.674516  1
  P  P73  1  0.502611  0.879747  0.364720  1
  P  P74  1  0.505144  0.312950  0.290306  1
  P  P75  1  0.497052  0.594354  0.328247  1
  P  P76  1  0.007728  0.819248  0.340255  1
  P  P77  1  1.003683  0.104761  0.377510  1
  P  P78  1  0.007442  0.534773  0.304172  1
  P  P79  1  0.007801  0.678307  0.322983  1
  P  P80  1  0.005916  0.961804  0.358893  1
  P  P81  1  1.003337  0.389926  0.285924  1
  P  P82  1  0.512648  0.736583  0.348239  1
  P  P83  1  0.504492  0.022541  0.378195  1
  P  P84  1  0.509221  0.454924  0.306814  1
  P  P85  1  0.522006  0.822926  0.292642  1
  P  P86  1  0.506567  0.119907  0.327758  1
  P  P87  1  0.508227  0.411382  0.367704  1
  P  P88  1  0.010016  0.016822  0.287983  1
  P  P89  1  0.011350  0.288707  0.331497  1
  P  P90  1  0.005612  0.571478  0.367119  1
  P  P91  1  0.159476  0.919211  0.309045  1
  P  P92  1  0.162673  0.197452  0.349988  1
  P  P93  1  0.158845  0.480322  0.384663  1
  P  P94  1  0.665423  0.785807  0.393032  1
  P  P95  1  0.660949  0.214168  0.311597  1
  P  P96  1  0.661611  0.502052  0.351100  1
  P  P97  1  0.349199  0.644541  0.371437  1
  P  P98  1  0.334260  0.064827  0.296623  1
  P  P99  1  0.351731  0.361808  0.329769  1
  P  P100  1  0.858451  0.765215  0.292413  1
  P  P101  1  0.853290  0.051135  0.332478  1
  P  P102  1  0.851398  0.337472  0.365890  1
  P  P103  1  0.342561  0.685942  0.305760  1
  P  P104  1  0.329112  0.964274  0.350206  1
  P  P105  1  0.327521  0.250371  0.382070  1
  P  P106  1  0.827747  0.735964  0.354853  1
  P  P107  1  0.818973  0.154711  0.277242  1
  P  P108  1  0.825494  0.450991  0.313205  1
  P  P109  1  0.182669  0.876414  0.371517  1
  P  P110  1  0.188328  0.307229  0.296070  1
  P  P111  1  0.188219  0.594967  0.331857  1
  P  P112  1  0.682927  0.826098  0.330970  1
  P  P113  1  0.683582  0.104743  0.363733  1
  P  P114  1  0.670738  0.543934  0.287521  1
  P  P115  1  0.161691  0.772361  0.298161  1
  P  P116  1  0.152071  0.059122  0.333045  1
  P  P117  1  0.167840  0.343175  0.364362  1
  P  P118  1  0.664760  0.642808  0.370363  1
  P  P119  1  0.668373  0.063783  0.297353  1
  P  P120  1  0.665017  0.358213  0.330899  1
  P  P121  1  0.348667  0.787278  0.389659  1
  P  P122  1  0.349396  0.214748  0.314634  1
  P  P123  1  0.345783  0.499598  0.353219  1
  P  P124  1  0.863700  0.914340  0.309935  1
  P  P125  1  0.844995  0.197802  0.347250  1
  P  P126  1  0.843931  0.482818  0.381273  1
  P  P127  1  0.667847  0.692468  0.306570  1
  P  P128  1  0.677275  0.966107  0.344247  1
  P  P129  1  0.682239  0.250842  0.379778  1
  P  P130  1  0.189868  0.730770  0.355870  1
  P  P131  1  0.181175  0.158807  0.282738  1
  P  P132  1  0.183323  0.449389  0.316075  1
  P  P133  1  0.828355  0.876580  0.373286  1
  P  P134  1  0.833391  0.299318  0.298860  1
  P  P135  1  0.824160  0.595533  0.332423  1
  P  P136  1  0.335796  0.832995  0.325072  1
  P  P137  1  0.330588  0.112406  0.363266  1
  P  P138  1  0.343129  0.538332  0.292190  1
  P  P139  1  0.503497  0.555594  0.389010  1
  P  P140  1  0.492042  0.971111  0.309541  1
  P  P141  1  0.505098  0.266438  0.349380  1
  P  P142  1  0.006285  0.711908  0.386812  1
  P  P143  1  0.998670  0.154185  0.310653  1
  P  P144  1  1.004419  0.429909  0.349149  1
  P  P145  1  0.502979  0.734581  0.473796  1
  P  P146  1  0.508415  0.163645  0.395529  1
  P  P147  1  0.504055  0.449191  0.434057  1
  P  P148  1  0.007598  0.673184  0.451545  1
  P  P149  1  0.006974  0.958265  0.488887  1
  P  P150  1  0.005949  0.388657  0.413180  1
  P  P151  1  1.004437  0.531121  0.431780  1
  P  P152  1  1.004034  0.815486  0.470317  1
  P  P153  1  1.004105  0.246094  0.395418  1
  P  P154  1  0.505712  0.591428  0.454163  1
  P  P155  1  0.507073  0.878558  0.492071  1
  P  P156  1  0.502988  0.307298  0.414260  1
  P  P157  1  0.508203  0.697995  0.408944  1
  P  P158  1  0.507054  0.985180  0.443647  1
  P  P159  1  0.506312  0.273216  0.479347  1
  P  P160  1  0.005614  0.853772  0.404950  1
  P  P161  1  1.004109  0.138684  0.442130  1
  P  P162  1  1.004259  0.424272  0.478066  1
  P  P163  1  0.159897  0.762765  0.422607  1
  P  P164  1  0.159329  0.048013  0.459363  1
  P  P165  1  0.158186  0.333028  0.496118  1
  P  P166  1  0.662465  0.645022  0.501515  1
  P  P167  1  0.662647  0.072112  0.427398  1
  P  P168  1  0.661706  0.360431  0.462261  1
  P  P169  1  0.347170  0.502130  0.482320  1
  P  P170  1  0.346902  0.927923  0.411334  1
  P  P171  1  0.347216  0.215322  0.445198  1
  P  P172  1  0.851855  0.619455  0.403157  1
  P  P173  1  0.851092  0.904274  0.440970  1
  P  P174  1  0.849045  0.191182  0.477220  1
  P  P175  1  0.325007  0.535386  0.418750  1
  P  P176  1  0.325900  0.820232  0.457116  1
  P  P177  1  0.328187  0.106616  0.492939  1
  P  P178  1  0.829084  0.592290  0.465577  1
  P  P179  1  0.826733  0.019465  0.392986  1
  P  P180  1  0.826790  0.305409  0.427679  1
  P  P181  1  0.181685  0.734312  0.485371  1
  P  P182  1  0.182704  0.161629  0.410557  1
  P  P183  1  0.181997  0.448484  0.446552  1
  P  P184  1  0.685153  0.676330  0.438219  1
  P  P185  1  0.682860  0.963359  0.475291  1
  P  P186  1  0.684191  0.392142  0.398400  1
  P  P187  1  0.164275  0.622545  0.402017  1
  P  P188  1  0.162250  0.905668  0.440349  1
  P  P189  1  0.162876  0.192540  0.476581  1
  P  P190  1  0.663458  0.502063  0.481801  1
  P  P191  1  0.662803  0.929082  0.408007  1
  P  P192  1  0.661792  0.216510  0.444013  1
  P  P193  1  0.346197  0.643463  0.501658  1
  P  P194  1  0.348230  0.072259  0.426206  1
  P  P195  1  0.346352  0.358492  0.462736  1
  P  P196  1  0.848710  0.762892  0.421893  1
  P  P197  1  0.846963  0.048668  0.458964  1
  P  P198  1  0.845557  0.335901  0.494063  1
  P  P199  1  0.683555  0.536282  0.418761  1
  P  P200  1  0.685601  0.822741  0.458190  1
  P  P201  1  0.683168  0.108541  0.493418  1
  P  P202  1  0.183433  0.589032  0.466177  1
  P  P203  1  0.184452  0.015454  0.393146  1
  P  P204  1  0.182798  0.302985  0.428098  1
  P  P205  1  0.827561  0.731231  0.485556  1
  P  P206  1  0.825663  0.159832  0.410418  1
  P  P207  1  0.827201  0.446706  0.445875  1
  P  P208  1  0.326115  0.680069  0.438410  1
  P  P209  1  0.326135  0.966180  0.475895  1
  P  P210  1  0.328718  0.393923  0.399279  1
  P  P211  1  0.503327  0.415944  0.498318  1
  P  P212  1  0.504116  0.840763  0.427423  1
  P  P213  1  0.503771  0.129584  0.461262  1
  P  P214  1  0.006161  0.566348  0.497250  1
  P  P215  1  1.005263  -0.003861  0.424017  1
  P  P216  1  1.004631  0.281880  0.459606  1
  P  P217  1  0.504755  0.592404  0.583570  1
  P  P218  1  0.505134  0.022246  0.509293  1
  P  P219  1  0.505696  0.308077  0.544986  1
  P  P220  1  1.003716  0.532339  0.561912  1
  P  P221  1  0.008205  0.817784  0.601872  1
  P  P222  1  1.002665  0.245056  0.523641  1
  P  P223  1  1.004136  0.388874  0.542825  1
  P  P224  1  1.004365  0.674170  0.582447  1
  P  P225  1  1.003682  0.101544  0.506930  1
  P  P226  1  0.507560  0.450647  0.563891  1
  P  P227  1  0.508573  0.735108  0.602399  1
  P  P228  1  0.506324  0.165314  0.527128  1
  P  P229  1  0.506491  0.558083  0.517971  1
  P  P230  1  0.507406  0.842685  0.555893  1
  P  P231  1  0.507293  0.128709  0.591711  1
  P  P232  1  1.004652  0.708373  0.517024  1
  P  P233  1  1.004664  -0.005040  0.553881  1
  P  P234  1  1.005283  0.283588  0.588293  1
  P  P235  1  0.158951  0.617357  0.534894  1
  P  P236  1  0.159976  0.905654  0.571286  1
  P  P237  1  0.163601  0.197298  0.604087  1
  P  P238  1  0.661363  0.500754  0.611728  1
  P  P239  1  0.664035  0.929528  0.539159  1
  P  P240  1  0.663228  0.215137  0.575067  1
  P  P241  1  0.351360  0.363537  0.591665  1
  P  P242  1  0.347393  0.786726  0.520864  1
  P  P243  1  0.349666  0.073528  0.556644  1
  P  P244  1  0.850593  0.476285  0.513759  1
  P  P245  1  0.852009  0.761075  0.553040  1
  P  P246  1  0.851244  0.048056  0.588818  1
  P  P247  1  0.326679  0.392000  0.528851  1
  P  P248  1  0.326153  0.677347  0.567921  1
  P  P249  1  0.326166  0.965161  0.603026  1
  P  P250  1  0.826359  0.449778  0.575939  1
  P  P251  1  0.829736  0.877628  0.503711  1
  P  P252  1  0.827138  0.162840  0.539908  1
  P  P253  1  0.184056  0.591606  0.598444  1
  P  P254  1  0.182014  0.020685  0.521621  1
  P  P255  1  0.184309  0.306081  0.558909  1
  P  P256  1  0.683534  0.535366  0.548386  1
  P  P257  1  0.685861  0.821022  0.585675  1
  P  P258  1  0.682343  0.249793  0.510911  1
  P  P259  1  0.163521  0.477675  0.513277  1
  P  P260  1  0.163264  0.762455  0.552475  1
  P  P261  1  0.163019  0.051460  0.588051  1
  P  P262  1  0.662514  0.357936  0.592379  1
  P  P263  1  0.663788  0.786004  0.520295  1
  P  P264  1  0.663441  0.072106  0.556864  1
  P  P265  1  0.344666  0.502835  0.613944  1
  P  P266  1  0.348271  0.929388  0.538029  1
  P  P267  1  0.348331  0.218257  0.574895  1
  P  P268  1  0.846574  0.619989  0.532627  1
  P  P269  1  0.849193  0.905481  0.570810  1
  P  P270  1  0.848481  0.192271  0.606994  1
  P  P271  1  0.683614  0.394282  0.529375  1
  P  P272  1  0.683790  0.679057  0.569072  1
  P  P273  1  0.686074  0.964625  0.606141  1
  P  P274  1  0.183284  0.447082  0.577074  1
  P  P275  1  0.183861  0.873983  0.504169  1
  P  P276  1  0.184867  0.159866  0.539481  1
  P  P277  1  0.828331  0.589774  0.596860  1
  P  P278  1  0.826885  0.016924  0.522491  1
  P  P279  1  0.826022  0.303024  0.558104  1
  P  P280  1  0.327362  0.535952  0.550125  1
  P  P281  1  0.327416  0.822576  0.587488  1
  P  P282  1  0.326998  0.251376  0.511498  1
  P  P283  1  0.504615  0.271563  0.609777  1
  P  P284  1  0.503323  0.700083  0.537388  1
  P  P285  1  0.504957  0.985573  0.573835  1
  P  P286  1  1.004023  0.426569  0.607278  1
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  P  P292  1  0.998644  0.389938  0.668498  1
  P  P293  1  1.005152  0.668064  0.706477  1
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  P  P295  1  0.009326  0.246072  0.651168  1
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  P  P299  1  0.503282  0.591036  0.710785  1
  P  P300  1  0.508597  0.020920  0.639052  1
  P  P301  1  0.505461  0.413065  0.627970  1
  P  P302  1  0.511796  0.695691  0.666623  1
  P  P303  1  0.506334  0.974071  0.708757  1
  P  P304  1  0.006572  0.569695  0.628575  1
  P  P305  1  0.008895  0.858836  0.669039  1
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  P  P308  1  0.163534  0.767050  0.685412  1
  P  P309  1  0.177007  0.062620  0.719406  1
  P  P310  1  0.652121  0.363257  0.718177  1
  P  P311  1  0.664033  0.788034  0.647251  1
  P  P312  1  0.654150  0.072154  0.685304  1
  P  P313  1  0.348358  0.208747  0.706022  1
  P  P314  1  0.352487  0.646759  0.630480  1
  P  P315  1  0.355665  0.929721  0.663361  1
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  P  P317  1  0.850634  0.619014  0.666222  1
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  P  P319  1  0.328041  0.248862  0.643005  1
  P  P320  1  0.324464  0.532125  0.683559  1
  P  P321  1  0.324501  0.827370  0.719267  1
  P  P322  1  0.822472  0.298312  0.689518  1
  P  P323  1  0.828144  0.733927  0.615825  1
  P  P324  1  0.830296  0.022097  0.650494  1
  P  P325  1  0.173497  0.440931  0.709520  1
  P  P326  1  0.185391  0.876669  0.633859  1
  P  P327  1  0.180054  0.161781  0.665046  1
  P  P328  1  0.684787  0.389513  0.658305  1
  P  P329  1  0.688624  0.673023  0.700466  1
  P  P330  1  0.684316  0.106032  0.623395  1
  P  P331  1  0.162369  0.338886  0.625205  1
  P  P332  1  0.164966  0.623846  0.665696  1
  P  P333  1  0.173623  0.917884  0.699257  1
  P  P334  1  0.646789  0.216861  0.701535  1
  P  P335  1  0.667360  0.639806  0.632849  1
  P  P336  1  0.659142  0.927834  0.668296  1
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  P  P338  1  0.348485  0.784035  0.650355  1
  P  P339  1  0.355734  0.066378  0.683236  1
  P  P340  1  0.844234  0.480297  0.642484  1
  P  P341  1  0.851673  0.764819  0.682469  1
  P  P342  1  0.833786  0.054699  0.717368  1
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  P  P346  1  0.179928  0.293554  0.688826  1
  P  P347  1  0.184111  0.732169  0.616866  1
  P  P348  1  0.181206  0.015401  0.651089  1
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  P  P352  1  0.320726  0.394930  0.659201  1
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  P  P354  1  0.325959  0.109631  0.622401  1
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  P  P360  1  1.004316  0.004334  0.687665  1
