# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.55206246
_cell_length_b   28.91473390
_cell_length_c   52.65375952
_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   'Fe96 P384'
_cell_volume   20632.601018
_cell_formula_units_Z   96
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  0.371121  0.962849  0.326238  1
  Fe  Fe2  1  0.371624  0.278019  0.368391  1
  Fe  Fe3  1  0.375176  0.649642  0.287051  1
  Fe  Fe4  1  0.123196  0.149642  0.287051  1
  Fe  Fe5  1  0.127251  0.462849  0.326238  1
  Fe  Fe6  1  0.126748  0.778019  0.368391  1
  Fe  Fe7  1  0.253010  0.904538  0.289321  1
  Fe  Fe8  1  0.257440  0.220650  0.330454  1
  Fe  Fe9  1  0.255056  0.535223  0.372257  1
  Fe  Fe10  1  0.243315  0.035223  0.372257  1
  Fe  Fe11  1  0.245361  0.404538  0.289321  1
  Fe  Fe12  1  0.240931  0.720650  0.330454  1
  Fe  Fe13  1  0.867307  0.998159  0.274695  1
  Fe  Fe14  1  0.871484  0.306801  0.306035  1
  Fe  Fe15  1  0.870883  0.620267  0.347206  1
  Fe  Fe16  1  0.627488  0.120267  0.347206  1
  Fe  Fe17  1  0.631064  0.498159  0.274695  1
  Fe  Fe18  1  0.626887  0.806801  0.306035  1
  Fe  Fe19  1  0.755213  0.878539  0.351826  1
  Fe  Fe20  1  0.755497  0.245775  0.273770  1
  Fe  Fe21  1  0.747648  0.560799  0.308757  1
  Fe  Fe22  1  0.750723  0.060799  0.308757  1
  Fe  Fe23  1  0.743158  0.378539  0.351826  1
  Fe  Fe24  1  0.742874  0.745775  0.273770  1
  Fe  Fe25  1  0.371631  0.906435  0.451880  1
  Fe  Fe26  1  0.371566  0.220734  0.493814  1
  Fe  Fe27  1  0.371089  0.592051  0.410279  1
  Fe  Fe28  1  0.127283  0.092051  0.410279  1
  Fe  Fe29  1  0.126740  0.406435  0.451880  1
  Fe  Fe30  1  0.126805  0.720734  0.493814  1
  Fe  Fe31  1  0.256310  0.849147  0.413988  1
  Fe  Fe32  1  0.255874  0.163601  0.455826  1
  Fe  Fe33  1  0.255972  0.477896  0.497591  1
  Fe  Fe34  1  0.242400  0.977896  0.497591  1
  Fe  Fe35  1  0.242062  0.349147  0.413988  1
  Fe  Fe36  1  0.242498  0.663601  0.455826  1
  Fe  Fe37  1  0.871953  0.935062  0.389461  1
  Fe  Fe38  1  0.872032  0.249158  0.431042  1
  Fe  Fe39  1  0.871809  0.563587  0.472829  1
  Fe  Fe40  1  0.626562  0.063587  0.472829  1
  Fe  Fe41  1  0.626419  0.435062  0.389461  1
  Fe  Fe42  1  0.626340  0.749158  0.431042  1
  Fe  Fe43  1  0.755867  0.820756  0.476648  1
  Fe  Fe44  1  0.755596  0.192260  0.393313  1
  Fe  Fe45  1  0.756146  0.506432  0.434993  1
  Fe  Fe46  1  0.742225  0.006432  0.434993  1
  Fe  Fe47  1  0.742504  0.320756  0.476648  1
  Fe  Fe48  1  0.742775  0.692260  0.393313  1
  Fe  Fe49  1  0.371456  0.849357  0.577194  1
  Fe  Fe50  1  0.371618  0.163133  0.619361  1
  Fe  Fe51  1  0.371730  0.535186  0.535579  1
  Fe  Fe52  1  0.126642  0.035186  0.535579  1
  Fe  Fe53  1  0.126915  0.349357  0.577194  1
  Fe  Fe54  1  0.126753  0.663133  0.619361  1
  Fe  Fe55  1  0.255954  0.792039  0.539365  1
  Fe  Fe56  1  0.255371  0.106641  0.581325  1
  Fe  Fe57  1  0.256949  0.420732  0.622918  1
  Fe  Fe58  1  0.241422  0.920732  0.622918  1
  Fe  Fe59  1  0.242417  0.292039  0.539365  1
  Fe  Fe60  1  0.243001  0.606641  0.581325  1
  Fe  Fe61  1  0.871884  0.877883  0.514616  1
  Fe  Fe62  1  0.872112  0.192336  0.556342  1
  Fe  Fe63  1  0.871356  0.506321  0.597684  1
  Fe  Fe64  1  0.627016  0.006321  0.597684  1
  Fe  Fe65  1  0.626487  0.377883  0.514616  1
  Fe  Fe66  1  0.626259  0.692336  0.556342  1
  Fe  Fe67  1  0.755124  0.763932  0.602100  1
  Fe  Fe68  1  0.755888  0.135145  0.518431  1
  Fe  Fe69  1  0.755494  0.449254  0.560108  1
  Fe  Fe70  1  0.742878  0.949254  0.560108  1
  Fe  Fe71  1  0.743247  0.263932  0.602100  1
  Fe  Fe72  1  0.742483  0.635145  0.518431  1
  Fe  Fe73  1  0.362831  0.796751  0.703437  1
  Fe  Fe74  1  0.373462  0.095774  0.736971  1
  Fe  Fe75  1  0.371293  0.479159  0.661224  1
  Fe  Fe76  1  0.127079  0.979159  0.661224  1
  Fe  Fe77  1  0.135540  0.296751  0.703437  1
  Fe  Fe78  1  0.124909  0.595774  0.736971  1
  Fe  Fe79  1  0.256213  0.734588  0.665023  1
  Fe  Fe80  1  0.257546  0.046441  0.704351  1
  Fe  Fe81  1  0.249351  0.348870  0.737178  1
  Fe  Fe82  1  0.249020  0.848870  0.737178  1
  Fe  Fe83  1  0.242158  0.234588  0.665023  1
  Fe  Fe84  1  0.240826  0.546441  0.704351  1
  Fe  Fe85  1  0.871120  0.820512  0.640044  1
  Fe  Fe86  1  0.866643  0.138294  0.682857  1
  Fe  Fe87  1  0.869420  0.453351  0.717137  1
  Fe  Fe88  1  0.628951  0.953351  0.717137  1
  Fe  Fe89  1  0.627251  0.320512  0.640044  1
  Fe  Fe90  1  0.631728  0.638294  0.682857  1
  Fe  Fe91  1  0.740964  0.702059  0.717138  1
  Fe  Fe92  1  0.754830  0.078313  0.644275  1
  Fe  Fe93  1  0.756669  0.391221  0.684193  1
  Fe  Fe94  1  0.741702  0.891221  0.684193  1
  Fe  Fe95  1  0.757407  0.202059  0.717138  1
  Fe  Fe96  1  0.743541  0.578313  0.644275  1
  P  P97  1  0.371797  0.916544  0.256167  1
  P  P98  1  0.373605  0.231690  0.297881  1
  P  P99  1  0.370972  0.546510  0.339489  1
  P  P100  1  0.127399  0.046510  0.339489  1
  P  P101  1  0.126575  0.416544  0.256167  1
  P  P102  1  0.124767  0.731690  0.297881  1
  P  P103  1  0.124624  0.919026  0.257287  1
  P  P104  1  0.126704  0.232457  0.297857  1
  P  P105  1  0.123403  0.545920  0.339500  1
  P  P106  1  0.121817  0.073017  0.273352  1
  P  P107  1  0.116686  0.384783  0.316945  1
  P  P108  1  0.116631  0.700083  0.359430  1
  P  P109  1  0.125980  0.888788  0.318200  1
  P  P110  1  0.126785  0.202300  0.358786  1
  P  P111  1  0.124285  0.575197  0.276690  1
  P  P112  1  0.001858  0.135328  0.317414  1
  P  P113  1  0.002273  0.451981  0.359080  1
  P  P114  1  -0.000642  0.826019  0.276713  1
  P  P115  1  0.998919  0.983243  0.298561  1
  P  P116  1  0.995959  0.295001  0.338884  1
  P  P117  1  0.995078  0.667370  0.257494  1
  P  P118  1  0.374968  0.045920  0.339500  1
  P  P119  1  0.373747  0.419026  0.257287  1
  P  P120  1  0.371667  0.732457  0.297857  1
  P  P121  1  0.249278  0.951668  0.359271  1
  P  P122  1  0.251905  0.323997  0.275899  1
  P  P123  1  0.247632  0.636956  0.318047  1
  P  P124  1  0.996401  0.952787  0.359508  1
  P  P125  1  0.994972  0.321087  0.274425  1
  P  P126  1  0.996232  0.637544  0.317323  1
  P  P127  1  0.374087  0.075197  0.276690  1
  P  P128  1  0.372391  0.388788  0.318200  1
  P  P129  1  0.371586  0.702300  0.358786  1
  P  P130  1  0.003273  0.170464  0.255030  1
  P  P131  1  0.003368  0.481787  0.296167  1
  P  P132  1  0.001279  0.796530  0.338612  1
  P  P133  1  0.250739  0.136956  0.318047  1
  P  P134  1  0.249093  0.451668  0.359271  1
  P  P135  1  0.246467  0.823997  0.275899  1
  P  P136  1  0.381686  0.884783  0.316945  1
  P  P137  1  0.381740  0.200083  0.359430  1
  P  P138  1  0.376554  0.573017  0.273352  1
  P  P139  1  0.248165  0.985162  0.297325  1
  P  P140  1  0.247472  0.299498  0.339278  1
  P  P141  1  0.247235  0.667443  0.256994  1
  P  P142  1  0.251136  0.167443  0.256994  1
  P  P143  1  0.250206  0.485162  0.297325  1
  P  P144  1  0.250900  0.799498  0.339278  1
  P  P145  1  0.870856  0.888108  0.318120  1
  P  P146  1  0.871947  0.202542  0.360367  1
  P  P147  1  0.869780  0.573704  0.276268  1
  P  P148  1  0.628591  0.073704  0.276268  1
  P  P149  1  0.627515  0.388108  0.318120  1
  P  P150  1  0.626424  0.702542  0.360367  1
  P  P151  1  0.623872  0.887420  0.318341  1
  P  P152  1  0.625007  0.203156  0.360331  1
  P  P153  1  0.624135  0.576312  0.274686  1
  P  P154  1  0.618442  0.043203  0.338439  1
  P  P155  1  0.624967  0.424143  0.255547  1
  P  P156  1  0.614996  0.727557  0.298403  1
  P  P157  1  0.625025  0.915670  0.257714  1
  P  P158  1  0.623640  0.232454  0.298277  1
  P  P159  1  0.626786  0.546293  0.339847  1
  P  P160  1  0.503293  0.167370  0.257494  1
  P  P161  1  0.499453  0.483243  0.298561  1
  P  P162  1  0.502412  0.795001  0.338884  1
  P  P163  1  0.496099  0.951981  0.359080  1
  P  P164  1  0.499013  0.326019  0.276713  1
  P  P165  1  0.496513  0.635328  0.317414  1
  P  P166  1  0.874237  0.076312  0.274686  1
  P  P167  1  0.874499  0.387420  0.318341  1
  P  P168  1  0.873365  0.703156  0.360331  1
  P  P169  1  0.741772  0.979115  0.299198  1
  P  P170  1  0.749373  0.295280  0.339464  1
  P  P171  1  0.749931  0.672717  0.255250  1
  P  P172  1  0.495004  0.981787  0.296167  1
  P  P173  1  0.497093  0.296530  0.338612  1
  P  P174  1  0.495099  0.670464  0.255030  1
  P  P175  1  0.871585  0.046293  0.339847  1
  P  P176  1  0.873347  0.415670  0.257714  1
  P  P177  1  0.874731  0.732454  0.298277  1
  P  P178  1  0.502140  0.137544  0.317323  1
  P  P179  1  0.501971  0.452787  0.359508  1
  P  P180  1  0.503399  0.821087  0.274425  1
  P  P181  1  0.748440  0.172717  0.255250  1
  P  P182  1  0.756599  0.479115  0.299198  1
  P  P183  1  0.748998  0.795280  0.339464  1
  P  P184  1  0.873404  0.924143  0.255547  1
  P  P185  1  0.883376  0.227557  0.298403  1
  P  P186  1  0.879929  0.543203  0.338439  1
  P  P187  1  0.747082  0.956307  0.360575  1
  P  P188  1  0.745688  0.324455  0.274744  1
  P  P189  1  0.747419  0.639929  0.317868  1
  P  P190  1  0.750953  0.139929  0.317868  1
  P  P191  1  0.751289  0.456307  0.360575  1
  P  P192  1  0.752683  0.824455  0.274744  1
  P  P193  1  0.372761  0.860635  0.381232  1
  P  P194  1  0.373051  0.174888  0.423233  1
  P  P195  1  0.372837  0.489144  0.465033  1
  P  P196  1  0.125534  0.989144  0.465033  1
  P  P197  1  0.125611  0.360635  0.381232  1
  P  P198  1  0.125321  0.674888  0.423233  1
  P  P199  1  0.124448  0.860659  0.381570  1
  P  P200  1  0.124542  0.174845  0.423130  1
  P  P201  1  0.124332  0.489099  0.464906  1
  P  P202  1  0.118102  0.014323  0.401240  1
  P  P203  1  0.117728  0.328518  0.443004  1
  P  P204  1  0.117836  0.642933  0.484948  1
  P  P205  1  0.127347  0.831206  0.442775  1
  P  P206  1  0.127298  0.145670  0.484643  1
  P  P207  1  0.126650  0.516903  0.400924  1
  P  P208  1  0.003480  0.080900  0.443414  1
  P  P209  1  0.003156  0.395063  0.484983  1
  P  P210  1  0.002880  0.766524  0.401420  1
  P  P211  1  0.995512  0.923794  0.422563  1
  P  P212  1  0.995479  0.237930  0.464170  1
  P  P213  1  0.995225  0.609443  0.380549  1
  P  P214  1  0.374039  0.989099  0.464906  1
  P  P215  1  0.373923  0.360659  0.381570  1
  P  P216  1  0.373829  0.674845  0.423130  1
  P  P217  1  0.248667  0.894459  0.484681  1
  P  P218  1  0.248397  0.265737  0.400981  1
  P  P219  1  0.248315  0.580162  0.442967  1
  P  P220  1  0.997505  0.895656  0.484886  1
  P  P221  1  0.997180  0.266793  0.401082  1
  P  P222  1  0.997277  0.581410  0.442985  1
  P  P223  1  0.371721  0.016903  0.400924  1
  P  P224  1  0.371024  0.331206  0.442775  1
  P  P225  1  0.371074  0.645670  0.484643  1
  P  P226  1  0.002010  0.110184  0.380578  1
  P  P227  1  0.001194  0.424394  0.422053  1
  P  P228  1  0.001083  0.738616  0.463987  1
  P  P229  1  0.250056  0.080162  0.442967  1
  P  P230  1  0.249704  0.394459  0.484681  1
  P  P231  1  0.249974  0.765737  0.400981  1
  P  P232  1  0.380644  0.828518  0.443004  1
  P  P233  1  0.380535  0.142933  0.484948  1
  P  P234  1  0.380269  0.514323  0.401240  1
  P  P235  1  0.247045  0.928008  0.422877  1
  P  P236  1  0.247033  0.242243  0.464657  1
  P  P237  1  0.246165  0.613782  0.381239  1
  P  P238  1  0.252207  0.113782  0.381239  1
  P  P239  1  0.251327  0.428008  0.422877  1
  P  P240  1  0.251339  0.742243  0.464657  1
  P  P241  1  0.873074  0.831848  0.444121  1
  P  P242  1  0.873005  0.146210  0.485892  1
  P  P243  1  0.872828  0.517502  0.402208  1
  P  P244  1  0.625543  0.017502  0.402208  1
  P  P245  1  0.625297  0.331848  0.444121  1
  P  P246  1  0.625366  0.646210  0.485892  1
  P  P247  1  0.624161  0.831873  0.443996  1
  P  P248  1  0.624277  0.146284  0.485766  1
  P  P249  1  0.624076  0.517696  0.402626  1
  P  P250  1  0.617719  0.985763  0.464021  1
  P  P251  1  0.617671  0.357419  0.380628  1
  P  P252  1  0.617901  0.671362  0.422304  1
  P  P253  1  0.626390  0.860165  0.380383  1
  P  P254  1  0.626909  0.174318  0.421972  1
  P  P255  1  0.627119  0.488569  0.463866  1
  P  P256  1  0.503147  0.109443  0.380549  1
  P  P257  1  0.502859  0.423794  0.422563  1
  P  P258  1  0.502892  0.737930  0.464170  1
  P  P259  1  0.495216  0.895063  0.484983  1
  P  P260  1  0.495491  0.266524  0.401420  1
  P  P261  1  0.494891  0.580900  0.443414  1
  P  P262  1  0.874296  0.017696  0.402626  1
  P  P263  1  0.874211  0.331873  0.443996  1
  P  P264  1  0.874095  0.646284  0.485766  1
  P  P265  1  0.748793  0.923050  0.422284  1
  P  P266  1  0.748789  0.237353  0.463858  1
  P  P267  1  0.749320  0.608842  0.380432  1
  P  P268  1  0.497177  0.924394  0.422053  1
  P  P269  1  0.497288  0.238616  0.463987  1
  P  P270  1  0.496362  0.610184  0.380578  1
  P  P271  1  0.871253  0.988569  0.463866  1
  P  P272  1  0.871982  0.360165  0.380383  1
  P  P273  1  0.871462  0.674318  0.421972  1
  P  P274  1  0.501095  0.081410  0.442985  1
  P  P275  1  0.500867  0.395656  0.484886  1
  P  P276  1  0.501192  0.766793  0.401082  1
  P  P277  1  0.749051  0.108842  0.380432  1
  P  P278  1  0.749579  0.423050  0.422284  1
  P  P279  1  0.749582  0.737353  0.463858  1
  P  P280  1  0.880700  0.857419  0.380628  1
  P  P281  1  0.880470  0.171362  0.422304  1
  P  P282  1  0.880653  0.485763  0.464021  1
  P  P283  1  0.747138  0.899336  0.485527  1
  P  P284  1  0.747043  0.270775  0.402136  1
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