# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   28.18246704
_cell_length_b   28.07788083
_cell_length_c   52.12979501
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.45057195
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe144 P576'
_cell_volume   36268.6232407
_cell_formula_units_Z   144
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  0.888071  0.189704  0.383526  1
  Fe  Fe2  1  0.502391  0.244686  0.345422  1
  Fe  Fe3  1  0.554738  0.856371  0.383526  1
  Fe  Fe4  1  0.116087  0.298780  0.310035  1
  Fe  Fe5  1  0.169058  0.911353  0.345422  1
  Fe  Fe6  1  0.221405  0.523038  0.383526  1
  Fe  Fe7  1  0.782754  0.965447  0.310035  1
  Fe  Fe8  1  0.835725  0.578020  0.345422  1
  Fe  Fe9  1  0.449421  0.632113  0.310035  1
  Fe  Fe10  1  0.709048  0.368648  0.375225  1
  Fe  Fe11  1  0.321883  0.422080  0.337840  1
  Fe  Fe12  1  0.375715  0.035314  0.375225  1
  Fe  Fe13  1  0.933633  0.474142  0.301843  1
  Fe  Fe14  1  0.988549  0.088746  0.337840  1
  Fe  Fe15  1  0.042382  0.701981  0.375225  1
  Fe  Fe16  1  0.600300  0.140809  0.301843  1
  Fe  Fe17  1  0.655216  0.755413  0.337840  1
  Fe  Fe18  1  0.266966  0.807476  0.301843  1
  Fe  Fe19  1  0.695232  0.217386  0.364546  1
  Fe  Fe20  1  0.310364  0.273328  0.328575  1
  Fe  Fe21  1  0.361898  0.884052  0.364546  1
  Fe  Fe22  1  0.923963  0.325673  0.292130  1
  Fe  Fe23  1  0.977031  0.939995  0.328575  1
  Fe  Fe24  1  0.028565  0.550719  0.364546  1
  Fe  Fe25  1  0.590629  0.992339  0.292130  1
  Fe  Fe26  1  0.643698  0.606661  0.328575  1
  Fe  Fe27  1  0.257296  0.659006  0.292130  1
  Fe  Fe28  1  0.743691  0.503697  0.284348  1
  Fe  Fe29  1  0.515990  0.396278  0.356478  1
  Fe  Fe30  1  0.410358  0.170364  0.284348  1
  Fe  Fe31  1  0.128168  0.449535  0.320744  1
  Fe  Fe32  1  0.182656  0.062944  0.356478  1
  Fe  Fe33  1  0.077025  0.837030  0.284348  1
  Fe  Fe34  1  0.794835  0.116201  0.320744  1
  Fe  Fe35  1  0.849323  0.729611  0.356478  1
  Fe  Fe36  1  0.461501  0.782868  0.320744  1
  Fe  Fe37  1  0.048923  0.028013  0.494756  1
  Fe  Fe38  1  0.661964  0.081765  0.457825  1
  Fe  Fe39  1  0.715589  0.694680  0.494756  1
  Fe  Fe40  1  0.275410  0.136128  0.420489  1
  Fe  Fe41  1  0.328631  0.748432  0.457825  1
  Fe  Fe42  1  0.382256  0.361347  0.494756  1
  Fe  Fe43  1  0.942077  0.802794  0.420489  1
  Fe  Fe44  1  0.995298  0.415098  0.457825  1
  Fe  Fe45  1  0.608744  0.469461  0.420489  1
  Fe  Fe46  1  0.869595  0.206467  0.486429  1
  Fe  Fe47  1  0.483017  0.260802  0.449096  1
  Fe  Fe48  1  0.536262  0.873134  0.486429  1
  Fe  Fe49  1  0.095934  0.314334  0.412324  1
  Fe  Fe50  1  0.149684  0.927469  0.449096  1
  Fe  Fe51  1  0.202929  0.539801  0.486429  1
  Fe  Fe52  1  0.762601  0.981000  0.412324  1
  Fe  Fe53  1  0.816350  0.594136  0.449096  1
  Fe  Fe54  1  0.429268  0.647667  0.412324  1
  Fe  Fe55  1  0.855365  0.054760  0.476429  1
  Fe  Fe56  1  0.468660  0.108873  0.439099  1
  Fe  Fe57  1  0.522032  0.721426  0.476429  1
  Fe  Fe58  1  0.082010  0.163383  0.401986  1
  Fe  Fe59  1  0.135327  0.775540  0.439099  1
  Fe  Fe60  1  0.188698  0.388093  0.476429  1
  Fe  Fe61  1  0.748677  0.830049  0.401986  1
  Fe  Fe62  1  0.801993  0.442206  0.439099  1
  Fe  Fe63  1  0.415344  0.496716  0.401986  1
  Fe  Fe64  1  0.902112  0.341063  0.393683  1
  Fe  Fe65  1  0.676256  0.233579  0.467767  1
  Fe  Fe66  1  0.568778  0.007730  0.393683  1
  Fe  Fe67  1  0.289638  0.287779  0.430596  1
  Fe  Fe68  1  0.342922  0.900246  0.467767  1
  Fe  Fe69  1  0.235445  0.674397  0.393683  1
  Fe  Fe70  1  0.956305  0.954445  0.430596  1
  Fe  Fe71  1  0.009589  0.566913  0.467767  1
  Fe  Fe72  1  0.622971  0.621112  0.430596  1
  Fe  Fe73  1  0.209861  0.866404  0.606009  1
  Fe  Fe74  1  0.822334  0.919689  0.569096  1
  Fe  Fe75  1  0.876527  0.533071  0.606009  1
  Fe  Fe76  1  0.435717  0.973888  0.531924  1
  Fe  Fe77  1  0.489001  0.586355  0.569096  1
  Fe  Fe78  1  0.543194  0.199738  0.606009  1
  Fe  Fe79  1  0.102383  0.640555  0.531924  1
  Fe  Fe80  1  0.155667  0.253022  0.569096  1
  Fe  Fe81  1  0.769050  0.307221  0.531924  1
  Fe  Fe82  1  0.029962  0.044085  0.597706  1
  Fe  Fe83  1  0.643312  0.098595  0.560592  1
  Fe  Fe84  1  0.696628  0.710752  0.597706  1
  Fe  Fe85  1  0.256607  0.152708  0.523262  1
  Fe  Fe86  1  0.309979  0.765261  0.560592  1
  Fe  Fe87  1  0.363295  0.377418  0.597706  1
  Fe  Fe88  1  0.923274  0.819375  0.523262  1
  Fe  Fe89  1  0.976646  0.431928  0.560592  1
  Fe  Fe90  1  0.589941  0.486041  0.523262  1
  Fe  Fe91  1  0.016038  0.893134  0.587368  1
  Fe  Fe92  1  0.628955  0.946665  0.550596  1
  Fe  Fe93  1  0.682704  0.559801  0.587368  1
  Fe  Fe94  1  0.242377  0.001000  0.513263  1
  Fe  Fe95  1  0.295622  0.613332  0.550596  1
  Fe  Fe96  1  0.349371  0.226467  0.587368  1
  Fe  Fe97  1  0.909043  0.667667  0.513263  1
  Fe  Fe98  1  0.962289  0.279998  0.550596  1
  Fe  Fe99  1  0.575710  0.334333  0.513263  1
  Fe  Fe100  1  0.063049  0.179454  0.504936  1
  Fe  Fe101  1  0.836562  0.071340  0.579203  1
  Fe  Fe102  1  0.729716  0.846121  0.504936  1
  Fe  Fe103  1  0.450008  0.125702  0.541867  1
  Fe  Fe104  1  0.503228  0.738007  0.579203  1
  Fe  Fe105  1  0.396383  0.512788  0.504936  1
  Fe  Fe106  1  0.116674  0.792369  0.541867  1
  Fe  Fe107  1  0.169895  0.404673  0.579203  1
  Fe  Fe108  1  0.783341  0.459036  0.541867  1
  Fe  Fe109  1  0.368281  0.703770  0.715344  1
  Fe  Fe110  1  0.983804  0.757933  0.678948  1
  Fe  Fe111  1  0.034947  0.370437  0.715344  1
  Fe  Fe112  1  0.595983  0.811190  0.643213  1
  Fe  Fe113  1  0.650471  0.424600  0.678948  1
  Fe  Fe114  1  0.701614  0.037104  0.715344  1
  Fe  Fe115  1  0.262649  0.477857  0.643213  1
  Fe  Fe116  1  0.317138  0.091266  0.678948  1
  Fe  Fe117  1  0.929316  0.144523  0.643213  1
  Fe  Fe118  1  0.188009  0.881795  0.707561  1
  Fe  Fe119  1  0.801608  0.934140  0.671117  1
  Fe  Fe120  1  0.854676  0.548461  0.707561  1
  Fe  Fe121  1  0.416741  0.990082  0.635145  1
  Fe  Fe122  1  0.468274  0.600806  0.671117  1
  Fe  Fe123  1  0.521343  0.215128  0.707561  1
  Fe  Fe124  1  0.083407  0.656749  0.635145  1
  Fe  Fe125  1  0.134941  0.267473  0.671117  1
  Fe  Fe126  1  0.750074  0.323415  0.635145  1
  Fe  Fe127  1  0.178339  0.733325  0.697849  1
  Fe  Fe128  1  0.790089  0.785388  0.661852  1
  Fe  Fe129  1  0.845006  0.399992  0.697849  1
  Fe  Fe130  1  0.402924  0.838820  0.624467  1
  Fe  Fe131  1  0.456756  0.452055  0.661852  1
  Fe  Fe132  1  0.511672  0.066658  0.697849  1
  Fe  Fe133  1  0.069591  0.505487  0.624467  1
  Fe  Fe134  1  0.123423  0.118721  0.661852  1
  Fe  Fe135  1  0.736257  0.172153  0.624467  1
  Fe  Fe136  1  0.223901  0.017763  0.616166  1
  Fe  Fe137  1  0.995885  0.908688  0.689657  1
  Fe  Fe138  1  0.890568  0.684430  0.616166  1
  Fe  Fe139  1  0.609581  0.962781  0.654269  1
  Fe  Fe140  1  0.662551  0.575354  0.689657  1
  Fe  Fe141  1  0.557234  0.351096  0.616166  1
  Fe  Fe142  1  0.276247  0.629448  0.654269  1
  Fe  Fe143  1  0.329218  0.242021  0.689657  1
  Fe  Fe144  1  0.942914  0.296115  0.654269  1
  P  P145  1  0.585199  0.417821  0.289801  1
  P  P146  1  0.358784  0.310068  0.362470  1
  P  P147  1  0.251866  0.084487  0.289801  1
  P  P148  1  0.971223  0.362533  0.326201  1
  P  P149  1  0.025451  0.976735  0.362470  1
  P  P150  1  0.918533  0.751154  0.289801  1
  P  P151  1  0.637890  0.029199  0.326201  1
  P  P152  1  0.692118  0.643401  0.362470  1
  P  P153  1  0.304557  0.695866  0.326201  1
  P  P154  1  0.539649  0.294005  0.311488  1
  P  P155  1  0.312179  0.185522  0.386625  1
  P  P156  1  0.206316  0.960672  0.311488  1
  P  P157  1  0.924545  0.238218  0.349419  1
  P  P158  1  0.978845  0.852188  0.386625  1
  P  P159  1  0.872983  0.627339  0.311488  1
  P  P160  1  0.591212  0.904885  0.349419  1
  P  P161  1  0.645512  0.518855  0.386625  1
  P  P162  1  0.257879  0.571551  0.349419  1
  P  P163  1  0.608536  0.221616  0.305595  1
  P  P164  1  0.383355  0.116090  0.380052  1
  P  P165  1  0.275203  0.888283  0.305595  1
  P  P166  1  0.995826  0.169381  0.342697  1
  P  P167  1  0.050021  0.782756  0.380052  1
  P  P168  1  0.941869  0.554949  0.305595  1
  P  P169  1  0.662492  0.836048  0.342697  1
  P  P170  1  0.716688  0.449423  0.380052  1
  P  P171  1  0.329159  0.502714  0.342697  1
  P  P172  1  0.595370  0.402111  0.352408  1
  P  P173  1  0.207625  0.455229  0.314919  1
  P  P174  1  0.262036  0.068777  0.352408  1
  P  P175  1  0.822519  0.509277  0.278000  1
  P  P176  1  0.874292  0.121895  0.314919  1
  P  P177  1  0.928703  0.735444  0.352408  1
  P  P178  1  0.489186  0.175944  0.278000  1
  P  P179  1  0.540959  0.788562  0.314919  1
  P  P180  1  0.155853  0.842611  0.278000  1
  P  P181  1  0.659936  0.330464  0.341309  1
  P  P182  1  0.273060  0.384673  0.303571  1
  P  P183  1  0.326603  0.997130  0.341309  1
  P  P184  1  0.046700  0.276539  0.378305  1
  P  P185  1  0.939727  0.051340  0.303571  1
  P  P186  1  0.993269  0.663797  0.341309  1
  P  P187  1  0.713366  0.943205  0.378305  1
  P  P188  1  0.606394  0.718006  0.303571  1
  P  P189  1  0.380033  0.609872  0.378305  1
  P  P190  1  0.635236  0.525234  0.323174  1
  P  P191  1  0.244402  0.576250  0.285482  1
  P  P192  1  0.301903  0.191901  0.323174  1
  P  P193  1  0.021115  0.470068  0.360211  1
  P  P194  1  0.911068  0.242916  0.285482  1
  P  P195  1  0.968570  0.858568  0.323174  1
  P  P196  1  0.687782  0.136735  0.360211  1
  P  P197  1  0.577735  0.909583  0.285482  1
  P  P198  1  0.354448  0.803402  0.360211  1
  P  P199  1  0.705025  0.453851  0.317371  1
  P  P200  1  0.319439  0.511242  0.281062  1
  P  P201  1  0.371692  0.120518  0.317371  1
  P  P202  1  0.092132  0.399719  0.354245  1
  P  P203  1  0.986106  0.177909  0.281062  1
  P  P204  1  0.038359  0.787184  0.317371  1
  P  P205  1  0.758799  0.066386  0.354245  1
  P  P206  1  0.652773  0.844575  0.281062  1
  P  P207  1  0.425465  0.733053  0.354245  1
  P  P208  1  0.808525  0.183582  0.387703  1
  P  P209  1  0.423102  0.238856  0.350467  1
  P  P210  1  0.475191  0.850249  0.387703  1
  P  P211  1  0.035903  0.291521  0.313714  1
  P  P212  1  0.089768  0.905523  0.350467  1
  P  P213  1  0.141858  0.516915  0.387703  1
  P  P214  1  0.702570  0.958187  0.313714  1
  P  P215  1  0.756435  0.572190  0.350467  1
  P  P216  1  0.369236  0.624854  0.313714  1
  P  P217  1  0.776993  0.389779  0.307390  1
  P  P218  1  0.550112  0.281322  0.380104  1
  P  P219  1  0.443660  0.056445  0.307390  1
  P  P220  1  0.164012  0.335465  0.344145  1
  P  P221  1  0.216779  0.947989  0.380104  1
  P  P222  1  0.110327  0.723112  0.307390  1
  P  P223  1  0.830678  0.002132  0.344145  1
  P  P224  1  0.883446  0.614656  0.380104  1
  P  P225  1  0.497345  0.668799  0.344145  1
  P  P226  1  0.731704  0.266150  0.330400  1
  P  P227  1  0.346254  0.321415  0.294076  1
  P  P228  1  0.398371  0.932816  0.330400  1
  P  P229  1  0.118431  0.212106  0.367912  1
  P  P230  1  0.012920  0.988082  0.294076  1
  P  P231  1  0.065038  0.599483  0.330400  1
  P  P232  1  0.785098  0.878773  0.367912  1
  P  P233  1  0.679587  0.654749  0.294076  1
  P  P234  1  0.451765  0.545439  0.367912  1
  P  P235  1  0.802027  0.196911  0.323390  1
  P  P236  1  0.413564  0.248927  0.286626  1
  P  P237  1  0.468694  0.863578  0.323390  1
  P  P238  1  0.190039  0.143564  0.360903  1
  P  P239  1  0.080231  0.915594  0.286626  1
  P  P240  1  0.135360  0.530245  0.323390  1
  P  P241  1  0.856706  0.810231  0.360903  1
  P  P242  1  0.746898  0.582260  0.286626  1
  P  P243  1  0.523373  0.476898  0.360903  1
  P  P244  1  0.788427  0.374557  0.370807  1
  P  P245  1  0.402585  0.430276  0.333118  1
  P  P246  1  0.455093  0.041224  0.370807  1
  P  P247  1  0.013868  0.481902  0.296367  1
  P  P248  1  0.069251  0.096943  0.333118  1
  P  P249  1  0.121760  0.707891  0.370807  1
  P  P250  1  0.680534  0.148569  0.296367  1
  P  P251  1  0.735918  0.763609  0.333118  1
  P  P252  1  0.347201  0.815235  0.296367  1
  P  P253  1  0.853289  0.303207  0.359498  1
  P  P254  1  0.468039  0.359272  0.322098  1
  P  P255  1  0.519955  0.969874  0.359498  1
  P  P256  1  0.081298  0.410779  0.286160  1
  P  P257  1  0.134705  0.025939  0.322098  1
  P  P258  1  0.186622  0.636540  0.359498  1
  P  P259  1  0.747964  0.077445  0.286160  1
  P  P260  1  0.801372  0.692606  0.322098  1
  P  P261  1  0.414631  0.744112  0.286160  1
  P  P262  1  0.827760  0.496771  0.341723  1
  P  P263  1  0.439923  0.550201  0.303934  1
  P  P264  1  0.494426  0.163437  0.341723  1
  P  P265  1  0.214729  0.442741  0.378808  1
  P  P266  1  0.106590  0.216868  0.303934  1
  P  P267  1  0.161093  0.830104  0.341723  1
  P  P268  1  0.881396  0.109408  0.378808  1
  P  P269  1  0.773256  0.883535  0.303934  1
  P  P270  1  0.548062  0.776074  0.378808  1
  P  P271  1  0.515937  0.484146  0.298597  1
  P  P272  1  0.286182  0.373668  0.371975  1
  P  P273  1  0.182604  0.150812  0.298597  1
  P  P274  1  0.898069  0.426424  0.335821  1
  P  P275  1  0.952849  0.040335  0.371975  1
  P  P276  1  0.849270  0.817479  0.298597  1
  P  P277  1  0.564736  0.093091  0.335821  1
  P  P278  1  0.619516  0.707001  0.371975  1
  P  P279  1  0.231402  0.759758  0.335821  1
  P  P280  1  0.615455  0.210594  0.369171  1
  P  P281  1  0.229529  0.265332  0.331618  1
  P  P282  1  0.282122  0.877261  0.369171  1
  P  P283  1  0.844733  0.321199  0.294365  1
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