# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30137883
_cell_length_b   37.11959626
_cell_length_c   50.00832138
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.41696284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   11674.3135269
_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  0.928477  0.546204  0.305137  1
  Fe  Fe2  1  0.308554  0.090973  0.355200  1
  Fe  Fe3  1  0.704503  0.277091  0.297034  1
  Fe  Fe4  1  0.049727  0.831381  0.340347  1
  Fe  Fe5  1  0.184073  0.716495  0.317632  1
  Fe  Fe6  1  0.576405  0.260507  0.373949  1
  Fe  Fe7  1  0.097015  0.434800  0.285589  1
  Fe  Fe8  1  0.464958  0.980467  0.331016  1
  Fe  Fe9  1  0.069700  0.637905  0.313017  1
  Fe  Fe10  1  0.451668  0.182293  0.367315  1
  Fe  Fe11  1  0.252427  0.404642  0.337383  1
  Fe  Fe12  1  0.876188  0.859552  0.292002  1
  Fe  Fe13  1  0.693528  0.636666  0.412576  1
  Fe  Fe14  1  0.067802  0.182411  0.469117  1
  Fe  Fe15  1  0.422541  0.375086  0.394881  1
  Fe  Fe16  1  0.803375  0.921340  0.451038  1
  Fe  Fe17  1  0.951749  0.805707  0.427696  1
  Fe  Fe18  1  0.330001  0.351323  0.483540  1
  Fe  Fe19  1  0.843968  0.526177  0.386799  1
  Fe  Fe20  1  0.213471  0.071276  0.443150  1
  Fe  Fe21  1  0.827827  0.727295  0.421585  1
  Fe  Fe22  1  0.205374  0.273138  0.478236  1
  Fe  Fe23  1  0.020041  0.494853  0.451286  1
  Fe  Fe24  1  0.639296  0.950262  0.396570  1
  Fe  Fe25  1  0.449237  0.727810  0.524556  1
  Fe  Fe26  1  0.831023  0.273704  0.581325  1
  Fe  Fe27  1  0.184073  0.466553  0.506261  1
  Fe  Fe28  1  0.558087  0.011900  0.562757  1
  Fe  Fe29  1  0.707296  0.896440  0.539375  1
  Fe  Fe30  1  0.089076  0.442270  0.594573  1
  Fe  Fe31  1  0.596307  0.616557  0.498339  1
  Fe  Fe32  1  0.974622  0.162400  0.554860  1
  Fe  Fe33  1  0.583238  0.817969  0.533382  1
  Fe  Fe34  1  0.966054  0.363567  0.589103  1
  Fe  Fe35  1  0.777487  0.586226  0.562502  1
  Fe  Fe36  1  0.395200  0.040639  0.507801  1
  Fe  Fe37  1  0.198225  0.819038  0.637919  1
  Fe  Fe38  1  0.603795  0.364111  0.689456  1
  Fe  Fe39  1  0.939796  0.558085  0.617786  1
  Fe  Fe40  1  0.326908  0.103149  0.671729  1
  Fe  Fe41  1  0.460871  0.987968  0.651601  1
  Fe  Fe42  1  0.869578  0.530787  0.701261  1
  Fe  Fe43  1  0.349782  0.706710  0.613584  1
  Fe  Fe44  1  0.732338  0.252762  0.667628  1
  Fe  Fe45  1  0.333870  0.909415  0.644969  1
  Fe  Fe46  1  0.733856  0.456263  0.696558  1
  Fe  Fe47  1  0.517741  0.677671  0.667321  1
  Fe  Fe48  1  0.153509  0.131862  0.619471  1
  P  P49  1  0.637805  0.507736  0.310336  1
  P  P50  1  0.025907  0.052954  0.365731  1
  P  P51  1  0.009389  0.255267  0.312639  1
  P  P52  1  0.360021  0.803141  0.365753  1
  P  P53  1  0.481858  0.756748  0.311587  1
  P  P54  1  0.866034  0.302469  0.367242  1
  P  P55  1  0.530476  0.553654  0.365165  1
  P  P56  1  0.135252  0.006469  0.311852  1
  P  P57  1  0.045992  0.537635  0.346644  1
  P  P58  1  0.629491  0.998704  0.290536  1
  P  P59  1  0.972942  0.772213  0.329395  1
  P  P60  1  0.598646  0.233942  0.271156  1
  P  P61  1  0.061553  0.392404  0.378878  1
  P  P62  1  0.668793  0.846749  0.325373  1
  P  P63  1  0.252764  0.580268  0.295922  1
  P  P64  1  0.652601  0.124032  0.356046  1
  P  P65  1  0.431071  0.416257  0.293580  1
  P  P66  1  0.808671  0.961511  0.351057  1
  P  P67  1  0.847824  0.688176  0.319671  1
  P  P68  1  0.232904  0.233274  0.377668  1
  P  P69  1  0.895458  0.426125  0.319732  1
  P  P70  1  0.296891  0.971100  0.372994  1
  P  P71  1  0.374384  0.666775  0.300814  1
  P  P72  1  0.773910  0.211069  0.361009  1
  P  P73  1  0.589168  0.380091  0.354475  1
  P  P74  1  0.211492  0.836959  0.297105  1
  P  P75  1  0.746770  0.600223  0.312549  1
  P  P76  1  0.132659  0.144765  0.368356  1
  P  P77  1  0.176568  0.346503  0.322868  1
  P  P78  1  0.573922  0.894218  0.379332  1
  P  P79  1  0.155599  0.622903  0.354433  1
  P  P80  1  0.806014  0.079990  0.304023  1
  P  P81  1  0.319306  0.461554  0.350843  1
  P  P82  1  0.913914  0.918168  0.295079  1
  P  P83  1  0.738544  0.732474  0.376746  1
  P  P84  1  0.380968  0.187795  0.321042  1
  P  P85  1  0.633466  0.644382  0.368596  1
  P  P86  1  0.284787  0.099817  0.310873  1
  P  P87  1  0.705928  0.337090  0.297723  1
  P  P88  1  0.098404  0.885567  0.357078  1
  P  P89  1  0.263215  0.710006  0.361077  1
  P  P90  1  0.886041  0.168055  0.306976  1
  P  P91  1  0.799098  0.470394  0.373025  1
  P  P92  1  0.406661  0.924906  0.315069  1
  P  P93  1  0.138371  0.494451  0.287736  1
  P  P94  1  0.537946  0.038205  0.348128  1
  P  P95  1  0.474820  0.274330  0.330087  1
  P  P96  1  0.080623  0.735415  0.273179  1
  P  P97  1  0.406841  0.597796  0.420857  1
  P  P98  1  0.780807  0.143359  0.477417  1
  P  P99  1  0.739235  0.348873  0.420975  1
  P  P100  1  0.118465  0.894204  0.476752  1
  P  P101  1  0.241306  0.848364  0.421398  1
  P  P102  1  0.620312  0.393499  0.476855  1
  P  P103  1  0.283744  0.643924  0.476014  1
  P  P104  1  0.900607  0.098839  0.421048  1
  P  P105  1  0.794016  0.629374  0.458369  1
  P  P106  1  0.407699  0.084539  0.402995  1
  P  P107  1  0.734957  0.862471  0.439004  1
  P  P108  1  0.352481  0.316847  0.384399  1
  P  P109  1  0.824619  0.483749  0.491020  1
  P  P110  1  0.443462  0.938506  0.435829  1
  P  P111  1  0.031024  0.668640  0.409877  1
  P  P112  1  0.406286  0.214337  0.466590  1
  P  P113  1  0.197946  0.507286  0.406922  1
  P  P114  1  0.569628  0.052932  0.463108  1
  P  P115  1  0.608202  0.779448  0.431914  1
  P  P116  1  0.986654  0.324980  0.488045  1
  P  P117  1  0.679049  0.516859  0.428673  1
  P  P118  1  0.052676  0.061883  0.484846  1
  P  P119  1  0.150484  0.755967  0.415193  1
  P  P120  1  0.529290  0.301724  0.471449  1
  P  P121  1  0.362427  0.473757  0.467206  1
  P  P122  1  0.981373  0.929029  0.412139  1
  P  P123  1  0.508259  0.690165  0.425473  1
  P  P124  1  0.884793  0.235798  0.481975  1
  P  P125  1  0.949727  0.438902  0.434778  1
  P  P126  1  0.327746  0.984467  0.491096  1
  P  P127  1  0.907360  0.714476  0.465668  1
  P  P128  1  0.525629  0.169106  0.411335  1
  P  P129  1  0.074999  0.553052  0.462581  1
  P  P130  1  0.692651  0.008129  0.407426  1
  P  P131  1  0.495412  0.823610  0.488152  1
  P  P132  1  0.115983  0.278086  0.433241  1
  P  P133  1  0.388058  0.735541  0.480429  1
  P  P134  1  0.007255  0.189127  0.425050  1
  P  P135  1  0.471011  0.429736  0.411500  1
  P  P136  1  0.849503  0.976038  0.468462  1
  P  P137  1  0.018372  0.801353  0.472269  1
  P  P138  1  0.641215  0.255931  0.417889  1
  P  P139  1  0.557116  0.560734  0.483624  1
  P  P140  1  0.175435  0.015512  0.428262  1
  P  P141  1  0.919546  0.583248  0.402754  1
  P  P142  1  0.291083  0.128687  0.459829  1
  P  P143  1  0.233996  0.363689  0.438544  1
  P  P144  1  0.855905  0.818846  0.383217  1
  P  P145  1  0.161359  0.688502  0.531685  1
  P  P146  1  0.543291  0.234499  0.589202  1
  P  P147  1  0.499451  0.439414  0.531913  1
  P  P148  1  0.873093  0.984587  0.588253  1
  P  P149  1  0.996435  0.938843  0.532946  1
  P  P150  1  0.377818  0.484402  0.587640  1
  P  P151  1  0.040099  0.734095  0.587446  1
  P  P152  1  0.661056  0.189892  0.532926  1
  P  P153  1  0.542188  0.720894  0.570864  1
  P  P154  1  0.170529  0.175326  0.515073  1
  P  P155  1  0.490823  0.953065  0.550312  1
  P  P156  1  0.113801  0.407714  0.494461  1
  P  P157  1  0.582802  0.574909  0.601714  1
  P  P158  1  0.199232  0.029104  0.547418  1
  P  P159  1  0.786378  0.759518  0.522049  1
  P  P160  1  0.169419  0.305271  0.578309  1
  P  P161  1  0.952381  0.598375  0.518135  1
  P  P162  1  0.330200  0.144155  0.574978  1
  P  P163  1  0.364495  0.870178  0.543236  1
  P  P164  1  0.746968  0.416076  0.598829  1
  P  P165  1  0.434104  0.607296  0.539726  1
  P  P166  1  0.815239  0.153260  0.596208  1
  P  P167  1  0.906385  0.846750  0.527013  1
  P  P168  1  0.288855  0.392479  0.582581  1
  P  P169  1  0.118051  0.565367  0.578799  1
  P  P170  1  0.737088  0.019595  0.523774  1
  P  P171  1  0.263538  0.781099  0.536940  1
  P  P172  1  0.646155  0.326943  0.593420  1
  P  P173  1  0.710405  0.529788  0.546110  1
  P  P174  1  0.085444  0.075545  0.602566  1
  P  P175  1  0.661434  0.805307  0.577813  1
  P  P176  1  0.286124  0.260345  0.522128  1
  P  P177  1  0.829712  0.644424  0.573736  1
  P  P178  1  0.449644  0.098663  0.519221  1
  P  P179  1  0.251464  0.914508  0.599337  1
  P  P180  1  0.876501  0.368970  0.544055  1
  P  P181  1  0.143748  0.826108  0.591976  1
  P  P182  1  0.767598  0.281096  0.537131  1
  P  P183  1  0.231089  0.521256  0.523534  1
  P  P184  1  0.607579  0.066614  0.579769  1
  P  P185  1  0.772010  0.891998  0.584092  1
  P  P186  1  0.399019  0.347057  0.528202  1
  P  P187  1  0.311773  0.652059  0.594986  1
  P  P188  1  0.933739  0.106549  0.539941  1
  P  P189  1  0.671304  0.674402  0.514637  1
  P  P190  1  0.053128  0.220253  0.571470  1
  P  P191  1  0.995090  0.454144  0.549512  1
  P  P192  1  0.614596  0.908762  0.494190  1
  P  P193  1  0.908886  0.779073  0.642243  1
  P  P194  1  0.315057  0.327582  0.698605  1
  P  P195  1  0.258358  0.530698  0.641903  1
  P  P196  1  0.631413  0.076014  0.697766  1
  P  P197  1  0.753039  0.029334  0.644150  1
  P  P198  1  0.140987  0.574472  0.697628  1
  P  P199  1  0.770027  0.825895  0.694248  1
  P  P200  1  0.424117  0.280667  0.644788  1
  P  P201  1  0.276727  0.812634  0.684018  1
  P  P202  1  0.928811  0.267039  0.627567  1
  P  P203  1  0.245268  0.044488  0.662426  1
  P  P204  1  0.870860  0.498834  0.605846  1
  P  P205  1  0.342900  0.663415  0.710292  1
  P  P206  1  0.964289  0.119419  0.659377  1
  P  P207  1  0.533481  0.850460  0.634300  1
  P  P208  1  0.934826  0.397334  0.691389  1
  P  P209  1  0.708872  0.689910  0.628779  1
  P  P210  1  0.089402  0.234719  0.686162  1
  P  P211  1  0.116340  0.961140  0.654203  1
  P  P212  1  0.545532  0.508471  0.714565  1
  P  P213  1  0.169613  0.696967  0.651803  1
  P  P214  1  0.573342  0.241927  0.707824  1
  P  P215  1  0.656736  0.937867  0.638975  1
  P  P216  1  0.080442  0.482354  0.693906  1
  P  P217  1  0.841579  0.655125  0.691415  1
  P  P218  1  0.503585  0.110670  0.634152  1
  P  P219  1  0.013018  0.872328  0.647238  1
  P  P220  1  0.440001  0.416841  0.708168  1
  P  P221  1  0.462827  0.619218  0.655929  1
  P  P222  1  0.862572  0.164449  0.711150  1
  P  P223  1  0.404010  0.896829  0.689233  1
  P  P224  1  0.046821  0.351444  0.633913  1
  P  P225  1  0.574997  0.735238  0.685197  1
  P  P226  1  0.207567  0.189971  0.631091  1
  P  P227  1  -0.001602  1.003380  0.707780  1
  P  P228  1  0.626141  0.460754  0.654898  1
  P  P229  1  0.894206  0.914998  0.701278  1
  P  P230  1  0.530901  0.373249  0.647248  1
  P  P231  1  0.982316  0.613050  0.634984  1
  P  P232  1  0.369775  0.156082  0.691995  1
  P  P233  1  0.521812  0.982702  0.696092  1
  P  P234  1  0.151909  0.437800  0.639242  1
  P  P235  1  0.058483  0.741628  0.703692  1
  P  P236  1  0.691492  0.196914  0.651423  1
  P  P237  1  0.415362  0.765890  0.627342  1
  P  P238  1  0.818750  0.311456  0.685135  1
  P  P239  1  0.750115  0.545695  0.660733  1
  P  P240  1  0.369196  0.999959  0.605943  1
