# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.03660068
_cell_length_b   13.45638221
_cell_length_c   51.15045570
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.27988539
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   11667.9042205
_cell_formula_units_Z   48
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  0.927170  0.388324  0.306416  1
  Fe  Fe2  1  0.005850  0.950230  0.355902  1
  Fe  Fe3  1  0.420745  0.464145  0.299067  1
  Fe  Fe4  1  0.482200  0.000832  0.345511  1
  Fe  Fe5  1  0.223820  0.685881  0.292428  1
  Fe  Fe6  1  0.299702  0.245227  0.336341  1
  Fe  Fe7  1  0.730823  0.655308  0.299258  1
  Fe  Fe8  1  0.803689  0.187785  0.350393  1
  Fe  Fe9  1  0.090992  0.561905  0.302869  1
  Fe  Fe10  1  0.138826  0.080592  0.346557  1
  Fe  Fe11  1  0.617570  0.803852  0.319446  1
  Fe  Fe12  1  0.674632  0.379118  0.377344  1
  Fe  Fe13  1  0.061676  0.496947  0.413552  1
  Fe  Fe14  1  0.127933  0.049376  0.468104  1
  Fe  Fe15  1  0.556199  0.539514  0.401039  1
  Fe  Fe16  1  0.620272  0.091715  0.456922  1
  Fe  Fe17  1  0.356052  0.789888  0.396320  1
  Fe  Fe18  1  0.417672  0.335274  0.449704  1
  Fe  Fe19  1  0.873106  0.738094  0.404737  1
  Fe  Fe20  1  0.937414  0.291349  0.461307  1
  Fe  Fe21  1  0.215920  0.658577  0.403910  1
  Fe  Fe22  1  0.281570  0.208304  0.458211  1
  Fe  Fe23  1  0.738302  0.933936  0.432642  1
  Fe  Fe24  1  0.803625  0.484185  0.488857  1
  Fe  Fe25  1  0.193020  0.601951  0.525001  1
  Fe  Fe26  1  0.258434  0.150893  0.581605  1
  Fe  Fe27  1  0.685405  0.643961  0.513591  1
  Fe  Fe28  1  0.751282  0.196640  0.568890  1
  Fe  Fe29  1  0.484884  0.887764  0.507687  1
  Fe  Fe30  1  0.550338  0.439857  0.563004  1
  Fe  Fe31  1  0.003922  0.846279  0.518081  1
  Fe  Fe32  1  0.068258  0.394000  0.572063  1
  Fe  Fe33  1  0.347148  0.760099  0.514795  1
  Fe  Fe34  1  0.413121  0.310336  0.571088  1
  Fe  Fe35  1  0.869107  0.036724  0.544105  1
  Fe  Fe36  1  0.934649  0.591356  0.600939  1
  Fe  Fe37  1  0.319167  0.700786  0.639688  1
  Fe  Fe38  1  0.389043  0.265837  0.689876  1
  Fe  Fe39  1  0.816156  0.750483  0.625214  1
  Fe  Fe40  1  0.884810  0.301157  0.679224  1
  Fe  Fe41  1  0.615378  0.993205  0.619409  1
  Fe  Fe42  1  0.681754  0.541169  0.674867  1
  Fe  Fe43  1  0.132995  0.951332  0.631304  1
  Fe  Fe44  1  0.202854  0.484524  0.679306  1
  Fe  Fe45  1  0.477378  0.861785  0.626533  1
  Fe  Fe46  1  0.546921  0.415891  0.681708  1
  Fe  Fe47  1  1.000328  0.144384  0.656758  1
  Fe  Fe48  1  0.058388  0.676139  0.703869  1
  P  P49  1  0.812324  0.337437  0.282831  1
  P  P50  1  0.884396  0.886994  0.335656  1
  P  P51  1  0.379362  0.524204  0.336731  1
  P  P52  1  0.441413  0.074576  0.386454  1
  P  P53  1  0.340052  0.744675  0.304589  1
  P  P54  1  0.413197  0.292962  0.358123  1
  P  P55  1  0.916209  0.662260  0.363590  1
  P  P56  1  0.846884  0.114736  0.309505  1
  P  P57  1  0.855226  0.545685  0.308310  1
  P  P58  1  0.921070  0.091849  0.368480  1
  P  P59  1  0.327799  0.344187  0.296661  1
  P  P60  1  0.403678  0.870920  0.355008  1
  P  P61  1  0.563856  0.467884  0.357187  1
  P  P62  1  0.503081  0.912761  0.301753  1
  P  P63  1  0.028008  0.461805  0.333906  1
  P  P64  1  0.100743  0.007539  0.386306  1
  P  P65  1  0.734197  0.721324  0.338975  1
  P  P66  1  0.673723  0.168686  0.283508  1
  P  P67  1  0.259745  0.735138  0.366197  1
  P  P68  1  0.189563  0.181951  0.309242  1
  P  P69  1  0.627056  0.738090  0.274817  1
  P  P70  1  0.697894  0.294068  0.334218  1
  P  P71  1  0.198882  0.588730  0.324504  1
  P  P72  1  0.252221  0.145186  0.371259  1
  P  P73  1  0.521126  0.342378  0.303695  1
  P  P74  1  0.590695  0.890942  0.361423  1
  P  P75  1  0.106682  0.588502  0.378945  1
  P  P76  1  0.039749  0.025679  0.317185  1
  P  P77  1  0.529629  0.689503  0.330427  1
  P  P78  1  0.598513  0.244723  0.386531  1
  P  P79  1  0.998939  0.687448  0.301655  1
  P  P80  1  0.065430  0.229549  0.357644  1
  P  P81  1  0.759447  0.494662  0.363813  1
  P  P82  1  0.693960  0.940007  0.308161  1
  P  P83  1  0.140771  0.423577  0.282259  1
  P  P84  1  0.226130  0.948210  0.334223  1
  P  P85  1  0.080154  0.802675  0.348103  1
  P  P86  1  0.004863  0.256467  0.293122  1
  P  P87  1  0.479047  0.575290  0.276969  1
  P  P88  1  0.560844  0.118941  0.333431  1
  P  P89  1  0.214734  0.373586  0.348543  1
  P  P90  1  0.146853  0.823814  0.286544  1
  P  P91  1  0.663395  0.516771  0.304273  1
  P  P92  1  0.733308  0.062924  0.361338  1
  P  P93  1  0.816085  0.766057  0.280836  1
  P  P94  1  0.885790  0.317776  0.343091  1
  P  P95  1  0.439296  0.646199  0.384525  1
  P  P96  1  0.373765  0.097214  0.321222  1
  P  P97  1  0.943927  0.443090  0.393516  1
  P  P98  1  0.011560  0.994427  0.447377  1
  P  P99  1  0.510030  0.624267  0.443315  1
  P  P100  1  0.573239  0.175745  0.499083  1
  P  P101  1  0.475667  0.851781  0.415491  1
  P  P102  1  0.537896  0.399426  0.471076  1
  P  P103  1  0.045599  0.772433  0.476224  1
  P  P104  1  0.979789  0.217826  0.419406  1
  P  P105  1  0.985715  0.649117  0.425474  1
  P  P106  1  0.052292  0.200553  0.479842  1
  P  P107  1  0.467750  0.418199  0.410468  1
  P  P108  1  0.534926  0.969516  0.467676  1
  P  P109  1  0.692567  0.574349  0.469543  1
  P  P110  1  0.625991  0.020135  0.412895  1
  P  P111  1  0.162992  0.566286  0.442581  1
  P  P112  1  0.229075  0.119024  0.497242  1
  P  P113  1  0.856805  0.823824  0.448821  1
  P  P114  1  0.790140  0.268846  0.394296  1
  P  P115  1  0.391328  0.832062  0.476170  1
  P  P116  1  0.323952  0.276487  0.417977  1
  P  P117  1  0.767775  0.847062  0.389860  1
  P  P118  1  0.831520  0.397199  0.445872  1
  P  P119  1  0.317442  0.705746  0.432080  1
  P  P120  1  0.381808  0.256997  0.486735  1
  P  P121  1  0.656444  0.444094  0.419698  1
  P  P122  1  0.721567  0.995675  0.475764  1
  P  P123  1  0.237923  0.690170  0.489715  1
  P  P124  1  0.174610  0.136383  0.432374  1
  P  P125  1  0.664322  0.798077  0.441960  1
  P  P126  1  0.728728  0.351081  0.497964  1
  P  P127  1  0.131062  0.791336  0.415339  1
  P  P128  1  0.196667  0.342448  0.469146  1
  P  P129  1  0.887963  0.600357  0.477691  1
  P  P130  1  0.823892  0.046771  0.421314  1
  P  P131  1  0.288561  0.506818  0.394349  1
  P  P132  1  0.357193  0.056442  0.449286  1
  P  P133  1  0.208358  0.910500  0.461869  1
  P  P134  1  0.138147  0.355450  0.405650  1
  P  P135  1  0.625407  0.669946  0.389547  1
  P  P136  1  0.688346  0.221707  0.446552  1
  P  P137  1  0.346346  0.482553  0.457920  1
  P  P138  1  0.281625  0.934035  0.402678  1
  P  P139  1  0.798640  0.617527  0.417380  1
  P  P140  1  0.864449  0.170038  0.473616  1
  P  P141  1  0.954562  0.869388  0.395576  1
  P  P142  1  0.016848  0.425126  0.453416  1
  P  P143  1  0.568657  0.745639  0.495247  1
  P  P144  1  0.502695  0.192858  0.438707  1
  P  P145  1  0.076446  0.549080  0.504009  1
  P  P146  1  0.142433  0.099114  0.559904  1
  P  P147  1  0.639064  0.728083  0.555393  1
  P  P148  1  0.705291  0.281397  0.610576  1
  P  P149  1  0.604435  0.952237  0.527820  1
  P  P150  1  0.669763  0.504945  0.583461  1
  P  P151  1  0.175164  0.877316  0.588928  1
  P  P152  1  0.111518  0.322882  0.530883  1
  P  P153  1  0.117706  0.754801  0.537241  1
  P  P154  1  0.182444  0.303397  0.591767  1
  P  P155  1  0.598692  0.521995  0.523159  1
  P  P156  1  0.664708  0.075218  0.579462  1
  P  P157  1  0.823368  0.680673  0.581472  1
  P  P158  1  0.757637  0.126836  0.525179  1
  P  P159  1  0.294746  0.670551  0.553564  1
  P  P160  1  0.359586  0.221918  0.609989  1
  P  P161  1  0.987340  0.930165  0.561534  1
  P  P162  1  0.921908  0.375237  0.505519  1
  P  P163  1  0.520796  0.935451  0.587955  1
  P  P164  1  0.455622  0.382919  0.531916  1
  P  P165  1  0.897759  0.949512  0.501157  1
  P  P166  1  0.962849  0.503478  0.557321  1
  P  P167  1  0.446890  0.807706  0.543788  1
  P  P168  1  0.513655  0.360145  0.599362  1
  P  P169  1  0.786708  0.548628  0.531972  1
  P  P170  1  0.852184  0.101619  0.587463  1
  P  P171  1  0.366125  0.792331  0.602570  1
  P  P172  1  0.304544  0.239529  0.545437  1
  P  P173  1  0.794315  0.904165  0.553705  1
  P  P174  1  0.859712  0.457686  0.609553  1
  P  P175  1  0.261493  0.896029  0.526167  1
  P  P176  1  0.327969  0.446685  0.581406  1
  P  P177  1  0.019813  0.706355  0.589966  1
  P  P178  1  0.954366  0.152670  0.533064  1
  P  P179  1  0.421035  0.608191  0.504904  1
  P  P180  1  0.486928  0.160008  0.561136  1
  P  P181  1  0.337674  0.012453  0.573849  1
  P  P182  1  0.271854  0.461105  0.517334  1
  P  P183  1  0.754418  0.774325  0.502237  1
  P  P184  1  0.819872  0.327129  0.558038  1
  P  P185  1  0.476807  0.586612  0.570400  1
  P  P186  1  0.411398  0.035190  0.514331  1
  P  P187  1  0.930244  0.724478  0.530069  1
  P  P188  1  0.994637  0.274827  0.585707  1
  P  P189  1  0.082686  0.978632  0.508509  1
  P  P190  1  0.148218  0.529361  0.564576  1
  P  P191  1  0.698805  0.852100  0.606794  1
  P  P192  1  0.633821  0.297926  0.550699  1
  P  P193  1  0.208463  0.652199  0.615546  1
  P  P194  1  0.274251  0.204926  0.671844  1
  P  P195  1  0.770388  0.836123  0.666706  1
  P  P196  1  0.850940  0.388567  0.720862  1
  P  P197  1  0.734361  0.060159  0.640101  1
  P  P198  1  0.801272  0.607026  0.694458  1
  P  P199  1  0.316419  0.979294  0.695771  1
  P  P200  1  0.245151  0.424693  0.641413  1
  P  P201  1  0.242959  0.852311  0.650799  1
  P  P202  1  0.311948  0.406692  0.707449  1
  P  P203  1  0.729024  0.629729  0.635369  1
  P  P204  1  0.794257  0.188843  0.693527  1
  P  P205  1  0.946159  0.783826  0.696546  1
  P  P206  1  0.888147  0.230703  0.637455  1
  P  P207  1  0.425028  0.772853  0.665689  1
  P  P208  1  0.496656  0.318023  0.719469  1
  P  P209  1  0.116940  0.035713  0.675158  1
  P  P210  1  0.052677  0.478640  0.616066  1
  P  P211  1  0.649238  0.041678  0.698129  1
  P  P212  1  0.586858  0.490721  0.643654  1
  P  P213  1  0.028041  0.056351  0.614184  1
  P  P214  1  0.096584  0.604096  0.666047  1
  P  P215  1  0.576644  0.911774  0.655190  1
  P  P216  1  0.650243  0.456695  0.712506  1
  P  P217  1  0.917859  0.657220  0.644197  1
  P  P218  1  0.988265  0.208795  0.701091  1
  P  P219  1  0.499950  0.899486  0.712205  1
  P  P220  1  0.433072  0.351303  0.656880  1
  P  P221  1  0.922627  0.011801  0.667066  1
  P  P222  1  0.992187  0.559522  0.721698  1
  P  P223  1  0.391681  0.996892  0.637540  1
  P  P224  1  0.462206  0.547206  0.694339  1
  P  P225  1  0.137864  0.803028  0.703385  1
  P  P226  1  0.087589  0.259265  0.645421  1
  P  P227  1  0.551431  0.713214  0.617118  1
  P  P228  1  0.618017  0.265236  0.670574  1
  P  P229  1  0.464646  0.119858  0.685394  1
  P  P230  1  0.401704  0.567471  0.630096  1
  P  P231  1  0.883671  0.882515  0.614139  1
  P  P232  1  0.953888  0.434242  0.668560  1
  P  P233  1  0.609602  0.690864  0.684394  1
  P  P234  1  0.540198  0.138277  0.626119  1
  P  P235  1  0.055289  0.832880  0.642613  1
  P  P236  1  0.125822  0.382075  0.698453  1
  P  P237  1  0.213549  0.080044  0.621773  1
  P  P238  1  0.277442  0.628424  0.680340  1
  P  P239  1  0.821073  0.965371  0.718604  1
  P  P240  1  0.766330  0.403620  0.662103  1
