# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.53097885
_cell_length_b   15.13670526
_cell_length_c   52.38383392
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.45013737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe64 P256'
_cell_volume   16098.4808374
_cell_formula_units_Z   64
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  0.324768  0.130537  0.298237  1
  Fe  Fe2  1  0.824768  0.630537  0.298237  1
  Fe  Fe3  1  0.777247  0.040394  0.351936  1
  Fe  Fe4  1  0.277247  0.540394  0.351936  1
  Fe  Fe5  1  0.464666  0.402131  0.285463  1
  Fe  Fe6  1  0.964666  0.902131  0.285463  1
  Fe  Fe7  1  0.919234  0.311241  0.339556  1
  Fe  Fe8  1  0.419234  0.811241  0.339556  1
  Fe  Fe9  1  0.506252  0.992831  0.380548  1
  Fe  Fe10  1  0.006252  0.492831  0.380548  1
  Fe  Fe11  1  0.049625  0.087085  0.325682  1
  Fe  Fe12  1  0.549625  0.587085  0.325682  1
  Fe  Fe13  1  0.645886  0.265659  0.367428  1
  Fe  Fe14  1  0.145886  0.765659  0.367428  1
  Fe  Fe15  1  0.192184  0.354781  0.312770  1
  Fe  Fe16  1  0.692184  0.854781  0.312770  1
  Fe  Fe17  1  0.233694  0.947465  0.408402  1
  Fe  Fe18  1  0.733694  0.447465  0.408402  1
  Fe  Fe19  1  0.688894  0.855914  0.464207  1
  Fe  Fe20  1  0.188894  0.355914  0.464207  1
  Fe  Fe21  1  0.373293  0.218942  0.395326  1
  Fe  Fe22  1  0.873293  0.718942  0.395326  1
  Fe  Fe23  1  0.828166  0.127796  0.450617  1
  Fe  Fe24  1  0.328166  0.627796  0.450617  1
  Fe  Fe25  1  0.416349  0.810263  0.491953  1
  Fe  Fe26  1  0.916349  0.310263  0.491953  1
  Fe  Fe27  1  0.961216  0.901832  0.436319  1
  Fe  Fe28  1  0.461216  0.401832  0.436319  1
  Fe  Fe29  1  0.555873  0.082014  0.478604  1
  Fe  Fe30  1  0.055873  0.582014  0.478604  1
  Fe  Fe31  1  0.100793  0.173702  0.423009  1
  Fe  Fe32  1  0.600793  0.673702  0.423009  1
  Fe  Fe33  1  0.143901  0.764516  0.519823  1
  Fe  Fe34  1  0.643901  0.264516  0.519823  1
  Fe  Fe35  1  0.598980  0.672827  0.575418  1
  Fe  Fe36  1  0.098980  0.172827  0.575418  1
  Fe  Fe37  1  0.283425  0.036267  0.506474  1
  Fe  Fe38  1  0.783425  0.536267  0.506474  1
  Fe  Fe39  1  0.738558  0.944697  0.562108  1
  Fe  Fe40  1  0.238558  0.444697  0.562108  1
  Fe  Fe41  1  0.326481  0.627588  0.603101  1
  Fe  Fe42  1  0.826481  0.127588  0.603101  1
  Fe  Fe43  1  0.871607  0.718733  0.547810  1
  Fe  Fe44  1  0.371607  0.218733  0.547810  1
  Fe  Fe45  1  0.466080  0.899065  0.590025  1
  Fe  Fe46  1  0.966080  0.399065  0.590025  1
  Fe  Fe47  1  0.010879  0.990616  0.534220  1
  Fe  Fe48  1  0.510879  0.490616  0.534220  1
  Fe  Fe49  1  0.053888  0.580871  0.630999  1
  Fe  Fe50  1  0.553888  0.080871  0.630999  1
  Fe  Fe51  1  0.507590  0.491749  0.685657  1
  Fe  Fe52  1  0.007590  0.991749  0.685657  1
  Fe  Fe53  1  0.193522  0.853699  0.617879  1
  Fe  Fe54  1  0.693522  0.353699  0.617879  1
  Fe  Fe55  1  0.650149  0.759444  0.672745  1
  Fe  Fe56  1  0.150149  0.259444  0.672745  1
  Fe  Fe57  1  0.235108  0.444398  0.712964  1
  Fe  Fe58  1  0.735108  0.944398  0.712964  1
  Fe  Fe59  1  0.780540  0.535289  0.658871  1
  Fe  Fe60  1  0.280540  0.035289  0.658871  1
  Fe  Fe61  1  0.375006  0.715992  0.700190  1
  Fe  Fe62  1  0.875006  0.215992  0.700190  1
  Fe  Fe63  1  0.922527  0.806135  0.646491  1
  Fe  Fe64  1  0.422527  0.306135  0.646491  1
  P  P65  1  0.639843  0.267289  0.293324  1
  P  P66  1  0.139843  0.767289  0.293324  1
  P  P67  1  0.099427  0.180348  0.347253  1
  P  P68  1  0.599427  0.680348  0.347253  1
  P  P69  1  0.740793  0.098174  0.315590  1
  P  P70  1  0.240793  0.598174  0.315590  1
  P  P71  1  0.195999  0.006610  0.372423  1
  P  P72  1  0.695999  0.506610  0.372423  1
  P  P73  1  0.346454  0.929582  0.346486  1
  P  P74  1  0.846454  0.429582  0.346486  1
  P  P75  1  0.891621  0.018623  0.291559  1
  P  P76  1  0.391621  0.518623  0.291559  1
  P  P77  1  0.274686  0.387741  0.289980  1
  P  P78  1  0.774686  0.887741  0.289980  1
  P  P79  1  0.728316  0.300921  0.345463  1
  P  P80  1  0.228316  0.800921  0.345463  1
  P  P81  1  0.326008  0.123379  0.373303  1
  P  P82  1  0.826008  0.623379  0.373303  1
  P  P83  1  0.869755  0.218506  0.317287  1
  P  P84  1  0.369755  0.718506  0.317287  1
  P  P85  1  0.620355  0.466435  0.317478  1
  P  P86  1  0.120355  0.966435  0.317478  1
  P  P87  1  0.077957  0.373911  0.373217  1
  P  P88  1  0.577957  0.873911  0.373217  1
  P  P89  1  0.229556  0.295548  0.348366  1
  P  P90  1  0.729556  0.795548  0.348366  1
  P  P91  1  0.769962  0.391739  0.293108  1
  P  P92  1  0.269962  0.891739  0.293108  1
  P  P93  1  0.694996  0.003683  0.373726  1
  P  P94  1  0.194996  0.503683  0.373726  1
  P  P95  1  0.240198  0.094326  0.318464  1
  P  P96  1  0.740198  0.594326  0.318464  1
  P  P97  1  0.373673  0.224956  0.319571  1
  P  P98  1  0.873673  0.724956  0.319571  1
  P  P99  1  0.825563  0.134162  0.374395  1
  P  P100  1  0.325563  0.634162  0.374395  1
  P  P101  1  0.469617  0.051807  0.344435  1
  P  P102  1  0.969617  0.551807  0.344435  1
  P  P103  1  0.014974  0.142161  0.288795  1
  P  P104  1  0.514974  0.642161  0.288795  1
  P  P105  1  0.618841  0.974006  0.317825  1
  P  P106  1  0.118841  0.474006  0.317825  1
  P  P107  1  0.074367  0.885070  0.374797  1
  P  P108  1  0.574367  0.385070  0.374797  1
  P  P109  1  0.457182  0.253809  0.374355  1
  P  P110  1  0.957182  0.753809  0.374355  1
  P  P111  1  0.002055  0.345302  0.317333  1
  P  P112  1  0.502055  0.845302  0.317333  1
  P  P113  1  0.597834  0.169076  0.346078  1
  P  P114  1  0.097834  0.669076  0.346078  1
  P  P115  1  0.146324  0.258499  0.289944  1
  P  P116  1  0.646324  0.758499  0.289944  1
  P  P117  1  0.348999  0.420025  0.345938  1
  P  P118  1  0.848999  0.920025  0.345938  1
  P  P119  1  0.894850  0.509694  0.290179  1
  P  P120  1  0.394850  0.009694  0.290179  1
  P  P121  1  0.500129  0.345080  0.321448  1
  P  P122  1  1.000129  0.845080  0.321448  1
  P  P123  1  0.955747  0.252286  0.375568  1
  P  P124  1  0.455747  0.752286  0.375568  1
  P  P125  1  0.514216  0.147992  0.292250  1
  P  P126  1  0.014216  0.647992  0.292250  1
  P  P127  1  0.966035  0.051475  0.346584  1
  P  P128  1  0.466035  0.551475  0.346584  1
  P  P129  1  0.554201  0.087212  0.402865  1
  P  P130  1  0.054201  0.587212  0.402865  1
  P  P131  1  0.009234  0.996608  0.458320  1
  P  P132  1  0.509234  0.496608  0.458320  1
  P  P133  1  0.651293  0.914845  0.428206  1
  P  P134  1  0.151293  0.414845  0.428206  1
  P  P135  1  0.106164  0.823643  0.483897  1
  P  P136  1  0.606164  0.323643  0.483897  1
  P  P137  1  0.256708  0.747253  0.457939  1
  P  P138  1  0.756708  0.247253  0.457939  1
  P  P139  1  0.801848  0.838584  0.402547  1
  P  P140  1  0.301848  0.338584  0.402547  1
  P  P141  1  0.184797  0.208253  0.401995  1
  P  P142  1  0.684797  0.708253  0.401995  1
  P  P143  1  0.639649  0.117017  0.457485  1
  P  P144  1  0.139649  0.617017  0.457485  1
  P  P145  1  0.235378  0.941554  0.484454  1
  P  P146  1  0.735378  0.441554  0.484454  1
  P  P147  1  0.780131  0.033124  0.428569  1
  P  P148  1  0.280131  0.533124  0.428569  1
  P  P149  1  0.532916  0.282376  0.429222  1
  P  P150  1  0.032916  0.782376  0.429222  1
  P  P151  1  0.987862  0.190908  0.484663  1
  P  P152  1  0.487862  0.690908  0.484663  1
  P  P153  1  0.138525  0.114505  0.458941  1
  P  P154  1  0.638525  0.614505  0.458941  1
  P  P155  1  0.683248  0.205930  0.403284  1
  P  P156  1  0.183248  0.705930  0.403284  1
  P  P157  1  0.605159  0.820827  0.485341  1
  P  P158  1  0.105159  0.320827  0.485341  1
  P  P159  1  0.150163  0.912640  0.429752  1
  P  P160  1  0.650163  0.412640  0.429752  1
  P  P161  1  0.281782  0.041911  0.430561  1
  P  P162  1  0.781782  0.541911  0.430561  1
  P  P163  1  0.736978  0.950755  0.486144  1
  P  P164  1  0.236978  0.450755  0.486144  1
  P  P165  1  0.378602  0.869166  0.455985  1
  P  P166  1  0.878602  0.369166  0.455985  1
  P  P167  1  0.923270  0.960961  0.400355  1
  P  P168  1  0.423270  0.460961  0.400355  1
  P  P169  1  0.529275  0.793105  0.430152  1
  P  P170  1  0.029275  0.293105  0.430152  1
  P  P171  1  0.984295  0.701370  0.485880  1
  P  P172  1  0.484295  0.201370  0.485880  1
  P  P173  1  0.367202  0.071233  0.485355  1
  P  P174  1  0.867202  0.571233  0.485355  1
  P  P175  1  0.911813  0.162928  0.429453  1
  P  P176  1  0.411813  0.662928  0.429453  1
  P  P177  1  0.507883  0.987008  0.456669  1
  P  P178  1  0.007883  0.487008  0.456669  1
  P  P179  1  0.052716  0.078963  0.401081  1
  P  P180  1  0.552716  0.578963  0.401081  1
  P  P181  1  0.260517  0.236454  0.457090  1
  P  P182  1  0.760517  0.736454  0.457090  1
  P  P183  1  0.805081  0.328097  0.401038  1
  P  P184  1  0.305081  0.828097  0.401038  1
  P  P185  1  0.411010  0.159881  0.431237  1
  P  P186  1  0.911010  0.659881  0.431237  1
  P  P187  1  0.865897  0.068891  0.486593  1
  P  P188  1  0.365897  0.568891  0.486593  1
  P  P189  1  0.422625  0.958011  0.401833  1
  P  P190  1  0.922625  0.458011  0.401833  1
  P  P191  1  0.877596  0.866743  0.457541  1
  P  P192  1  0.377596  0.366743  0.457541  1
  P  P193  1  0.464396  0.904976  0.513972  1
  P  P194  1  0.964396  0.404976  0.513972  1
  P  P195  1  0.919643  0.813406  0.569858  1
  P  P196  1  0.419643  0.313406  0.569858  1
  P  P197  1  0.561249  0.732025  0.539486  1
  P  P198  1  0.061249  0.232025  0.539486  1
  P  P199  1  0.016526  0.640599  0.595142  1
  P  P200  1  0.516526  0.140599  0.595142  1
  P  P201  1  0.166858  0.564154  0.569205  1
  P  P202  1  0.666858  0.064154  0.569205  1
  P  P203  1  0.711912  0.655621  0.513763  1
  P  P204  1  0.211912  0.155621  0.513763  1
  P  P205  1  0.094615  0.025703  0.513085  1
  P  P206  1  0.594615  0.525703  0.513085  1
  P  P207  1  0.549611  0.933889  0.568674  1
  P  P208  1  0.049611  0.433889  0.568674  1
  P  P209  1  0.145573  0.759317  0.595562  1
  P  P210  1  0.645573  0.259317  0.595562  1
  P  P211  1  0.690540  0.849921  0.540107  1
  P  P212  1  0.190540  0.349921  0.540107  1
  P  P213  1  0.443066  0.099277  0.540488  1
  P  P214  1  0.943066  0.599277  0.540488  1
  P  P215  1  0.897926  0.007946  0.595880  1
  P  P216  1  0.397926  0.507946  0.595880  1
  P  P217  1  0.048481  0.931684  0.570221  1
  P  P218  1  0.548481  0.431684  0.570221  1
  P  P219  1  0.593610  0.022886  0.514529  1
  P  P220  1  0.093610  0.522886  0.514529  1
  P  P221  1  0.514977  0.638276  0.596432  1
  P  P222  1  0.014977  0.138276  0.596432  1
  P  P223  1  0.060125  0.729512  0.540942  1
  P  P224  1  0.560125  0.229512  0.540942  1
  P  P225  1  0.191891  0.859522  0.541758  1
  P  P226  1  0.691891  0.359522  0.541758  1
  P  P227  1  0.647058  0.767566  0.597346  1
  P  P228  1  0.147058  0.267566  0.597346  1
  P  P229  1  0.288764  0.686648  0.567189  1
  P  P230  1  0.788764  0.186648  0.567189  1
  P  P231  1  0.833877  0.777638  0.511833  1
  P  P232  1  0.333877  0.277638  0.511833  1
  P  P233  1  0.439257  0.610075  0.541337  1
  P  P234  1  0.939257  0.110075  0.541337  1
  P  P235  1  0.894693  0.518432  0.597389  1
  P  P236  1  0.394693  0.018432  0.597389  1
  P  P237  1  0.277149  0.888519  0.596593  1
  P  P238  1  0.777149  0.388519  0.596593  1
  P  P239  1  0.822178  0.979786  0.540886  1
  P  P240  1  0.322178  0.479786  0.540886  1
  P  P241  1  0.417992  0.804618  0.567866  1
  P  P242  1  0.917992  0.304618  0.567866  1
  P  P243  1  0.962796  0.895775  0.512282  1
  P  P244  1  0.462796  0.395775  0.512282  1
  P  P245  1  0.170499  0.053425  0.568275  1
  P  P246  1  0.670499  0.553425  0.568275  1
  P  P247  1  0.715479  0.145160  0.512547  1
  P  P248  1  0.215479  0.645160  0.512547  1
  P  P249  1  0.321172  0.977364  0.542442  1
  P  P250  1  0.821172  0.477364  0.542442  1
  P  P251  1  0.776504  0.885568  0.598072  1
  P  P252  1  0.276504  0.385568  0.598072  1
  P  P253  1  0.332572  0.775296  0.513071  1
  P  P254  1  0.832572  0.275296  0.513071  1
  P  P255  1  0.787961  0.683602  0.568974  1
  P  P256  1  0.287961  0.183602  0.568974  1
  P  P257  1  0.373766  0.723151  0.625124  1
  P  P258  1  0.873766  0.223151  0.625124  1
  P  P259  1  0.830019  0.628024  0.681140  1
  P  P260  1  0.330019  0.128024  0.681140  1
  P  P261  1  0.470218  0.550982  0.650060  1
  P  P262  1  0.970218  0.050982  0.650060  1
  P  P263  1  0.929812  0.454791  0.705319  1
  P  P264  1  0.429812  0.954791  0.705319  1
  P  P265  1  0.079419  0.380095  0.680949  1
  P  P266  1  0.579419  0.880095  0.680949  1
  P  P267  1  0.621817  0.472619  0.625210  1
  P  P268  1  0.121817  0.972619  0.625210  1
  P  P269  1  0.004778  0.842847  0.624701  1
  P  P270  1  0.504778  0.342847  0.624701  1
  P  P271  1  0.459576  0.752204  0.679963  1
  P  P272  1  0.959576  0.252204  0.679963  1
  P  P273  1  0.059931  0.579240  0.705103  1
  P  P274  1  0.559931  0.079240  0.705103  1
  P  P275  1  0.600346  0.666181  0.651174  1
  P  P276  1  0.100346  0.166181  0.651174  1
  P  P277  1  0.353320  0.916947  0.651941  1
  P  P278  1  0.853320  0.416947  0.651941  1
  P  P279  1  0.808153  0.827906  0.706867  1
  P  P280  1  0.308153  0.327906  0.706867  1
  P  P281  1  0.958980  0.748355  0.682837  1
  P  P282  1  0.458980  0.248355  0.682837  1
  P  P283  1  0.503775  0.839920  0.626004  1
  P  P284  1  0.003775  0.339920  0.626004  1
  P  P285  1  0.425088  0.458788  0.708447  1
  P  P286  1  0.925088  0.958788  0.708447  1
  P  P287  1  0.971458  0.545608  0.652964  1
  P  P288  1  0.471458  0.045608  0.652964  1
  P  P289  1  0.101940  0.677454  0.652349  1
  P  P290  1  0.601940  0.177454  0.652349  1
  P  P291  1  0.553450  0.588031  0.708483  1
  P  P292  1  0.053450  0.088031  0.708483  1
  P  P293  1  0.199645  0.501449  0.676978  1
  P  P294  1  0.699645  0.001449  0.676978  1
  P  P295  1  0.744027  0.594244  0.622859  1
  P  P296  1  0.244027  0.094244  0.622859  1
  P  P297  1  0.350774  0.426505  0.652489  1
  P  P298  1  0.850774  0.926505  0.652489  1
  P  P299  1  0.804924  0.336835  0.708248  1
  P  P300  1  0.304924  0.836835  0.708248  1
  P  P301  1  0.185558  0.698537  0.706177  1
  P  P302  1  0.685558  0.198537  0.706177  1
  P  P303  1  0.733739  0.795055  0.651842  1
  P  P304  1  0.233739  0.295055  0.651842  1
  P  P305  1  0.326101  0.621573  0.678855  1
  P  P306  1  0.826101  0.121573  0.678855  1
  P  P307  1  0.874211  0.712368  0.624032  1
  P  P308  1  0.374211  0.212368  0.624032  1
  P  P309  1  0.080933  0.872523  0.680601  1
  P  P310  1  0.580933  0.372523  0.680601  1
  P  P311  1  0.625407  0.961460  0.623630  1
  P  P312  1  0.125407  0.461460  0.623630  1
  P  P313  1  0.230157  0.794723  0.653992  1
  P  P314  1  0.730157  0.294723  0.653992  1
  P  P315  1  0.684800  0.704368  0.709631  1
  P  P316  1  0.184800  0.204368  0.709631  1
  P  P317  1  0.242592  0.592720  0.624072  1
  P  P318  1  0.742592  0.092720  0.624072  1
  P  P319  1  0.697719  0.501228  0.681094  1
  P  P320  1  0.197719  0.001228  0.681094  1
