# generated using pymatgen
data_Fe54P215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.88010161
_cell_length_b   15.91372247
_cell_length_c   19.92915885
_cell_angle_alpha   90.00000000
_cell_angle_beta   101.49098154
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe54P215
_chemical_formula_sum   'Fe54 P215'
_cell_volume   5867.75111596
_cell_formula_units_Z   1
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  0.033120  0.590804  0.280458  1
  Fe  Fe2  1  0.033352  0.590392  0.613618  1
  Fe  Fe3  1  0.033802  0.590810  0.947196  1
  Fe  Fe4  1  0.366940  0.590038  0.277097  1
  Fe  Fe5  1  0.366947  0.590818  0.610127  1
  Fe  Fe6  1  0.367368  0.591026  0.943739  1
  Fe  Fe7  1  0.700060  0.590891  0.277814  1
  Fe  Fe8  1  0.700619  0.590616  0.611078  1
  Fe  Fe9  1  0.700931  0.590938  0.944722  1
  Fe  Fe10  1  0.217899  0.096471  0.244011  1
  Fe  Fe11  1  0.217838  0.096820  0.577354  1
  Fe  Fe12  1  0.218317  0.097114  0.910567  1
  Fe  Fe13  1  0.551627  0.097204  0.243468  1
  Fe  Fe14  1  0.550815  0.097186  0.576407  1
  Fe  Fe15  1  0.551731  0.097030  0.910286  1
  Fe  Fe16  1  0.883535  0.098143  0.245941  1
  Fe  Fe17  1  0.884059  0.097132  0.579194  1
  Fe  Fe18  1  0.884591  0.097435  0.914014  1
  Fe  Fe19  1  0.217847  0.903949  0.077604  1
  Fe  Fe20  1  0.218883  0.902301  0.411661  1
  Fe  Fe21  1  0.217924  0.903955  0.744366  1
  Fe  Fe22  1  0.551731  0.904236  0.076997  1
  Fe  Fe23  1  0.551009  0.904428  0.410152  1
  Fe  Fe24  1  0.551772  0.904185  0.743590  1
  Fe  Fe25  1  0.885134  0.906053  0.081852  1
  Fe  Fe26  1  0.884624  0.905287  0.411786  1
  Fe  Fe27  1  0.884466  0.904444  0.746257  1
  Fe  Fe28  1  0.033251  0.410091  0.114369  1
  Fe  Fe29  1  0.033866  0.410552  0.446687  1
  Fe  Fe30  1  0.033749  0.410452  0.780312  1
  Fe  Fe31  1  0.367676  0.410132  0.110573  1
  Fe  Fe32  1  0.366256  0.409619  0.443628  1
  Fe  Fe33  1  0.367408  0.410283  0.777025  1
  Fe  Fe34  1  0.700908  0.411016  0.111466  1
  Fe  Fe35  1  0.698403  0.410165  0.444384  1
  Fe  Fe36  1  0.700657  0.410574  0.778152  1
  Fe  Fe37  1  0.288303  0.756717  0.167949  1
  Fe  Fe38  1  0.288724  0.756130  0.501757  1
  Fe  Fe39  1  0.288451  0.757073  0.834881  1
  Fe  Fe40  1  0.621598  0.757480  0.168254  1
  Fe  Fe41  1  0.621757  0.757371  0.501301  1
  Fe  Fe42  1  0.622162  0.757516  0.834794  1
  Fe  Fe43  1  0.954264  0.758785  0.171326  1
  Fe  Fe44  1  0.953334  0.757471  0.504075  1
  Fe  Fe45  1  0.954028  0.757582  0.837418  1
  Fe  Fe46  1  0.288948  0.244001  0.000978  1
  Fe  Fe47  1  0.279806  0.242012  0.333502  1
  Fe  Fe48  1  0.288248  0.243616  0.667592  1
  Fe  Fe49  1  0.621405  0.243924  0.001183  1
  Fe  Fe50  1  0.621434  0.244381  0.334904  1
  Fe  Fe51  1  0.621210  0.243746  0.667752  1
  Fe  Fe52  1  0.954481  0.243908  0.006542  1
  Fe  Fe53  1  0.956866  0.240733  0.332503  1
  Fe  Fe54  1  0.954051  0.243749  0.669577  1
  P  P55  1  0.138080  0.499558  0.300598  1
  P  P56  1  0.138578  0.499238  0.634091  1
  P  P57  1  0.138831  0.499389  0.967750  1
  P  P58  1  0.471641  0.498395  0.298317  1
  P  P59  1  0.472245  0.499469  0.631356  1
  P  P60  1  0.472531  0.499690  0.964914  1
  P  P61  1  0.805121  0.499647  0.299058  1
  P  P62  1  0.805326  0.499170  0.632250  1
  P  P63  1  0.805793  0.499566  0.965956  1
  P  P64  1  0.110269  0.000834  0.216282  1
  P  P65  1  0.110393  0.000825  0.550308  1
  P  P66  1  0.110394  0.001796  0.883142  1
  P  P67  1  0.443789  0.001872  0.215323  1
  P  P68  1  0.443738  0.000827  0.548850  1
  P  P69  1  0.444171  0.001295  0.882057  1
  P  P70  1  0.776818  0.001948  0.218220  1
  P  P71  1  0.776848  0.001673  0.550819  1
  P  P72  1  0.777372  0.001740  0.885112  1
  P  P73  1  0.110637  1.000465  0.049958  1
  P  P74  1  0.111132  0.995819  0.384778  1
  P  P75  1  0.110377  0.999837  0.716615  1
  P  P76  1  0.443983  0.999582  0.048615  1
  P  P77  1  0.443079  1.000066  0.381893  1
  P  P78  1  0.443947  0.999540  0.715438  1
  P  P79  1  0.777644  0.000822  0.052380  1
  P  P80  1  0.777065  1.000470  0.384205  1
  P  P81  1  0.777114  1.000070  0.717863  1
  P  P82  1  0.138389  0.500829  0.134497  1
  P  P83  1  0.138461  0.502110  0.467433  1
  P  P84  1  0.138796  0.501654  0.800902  1
  P  P85  1  0.472311  0.501547  0.131782  1
  P  P86  1  0.471440  0.501110  0.464500  1
  P  P87  1  0.472504  0.501641  0.798135  1
  P  P88  1  0.805442  0.502660  0.132635  1
  P  P89  1  0.805044  0.500603  0.465502  1
  P  P90  1  0.805684  0.501716  0.799111  1
  P  P91  1  0.314746  0.500849  0.184570  1
  P  P92  1  0.314821  0.501162  0.517789  1
  P  P93  1  0.315427  0.501767  0.851113  1
  P  P94  1  0.648038  0.501772  0.185688  1
  P  P95  1  0.647456  0.501383  0.519001  1
  P  P96  1  0.648366  0.501513  0.852510  1
  P  P97  1  0.981159  0.501095  0.188578  1
  P  P98  1  0.980904  0.500889  0.521190  1
  P  P99  1  0.981478  0.501594  0.854758  1
  P  P100  1  0.264477  0.999481  0.330638  1
  P  P101  1  0.265961  0.999327  0.663973  1
  P  P102  1  0.265886  0.999614  0.997162  1
  P  P103  1  0.599329  0.999493  0.329132  1
  P  P104  1  0.599634  0.999237  0.662337  1
  P  P105  1  0.600074  0.999335  0.995853  1
  P  P106  1  0.933647  0.001084  0.330734  1
  P  P107  1  0.932459  0.999788  0.665244  1
  P  P108  1  0.932827  1.000568  0.000895  1
  P  P109  1  0.005005  0.156772  0.594305  1
  P  P110  1  0.005343  0.156347  0.931202  1
  P  P111  1  0.337308  0.156487  0.261005  1
  P  P112  1  0.339005  0.155965  0.593443  1
  P  P113  1  0.339380  0.156261  0.926914  1
  P  P114  1  0.672214  0.157249  0.260068  1
  P  P115  1  0.671698  0.156939  0.592937  1
  P  P116  1  0.672518  0.157110  0.926562  1
  P  P117  1  0.245200  0.658726  0.251565  1
  P  P118  1  0.244958  0.658784  0.585127  1
  P  P119  1  0.245396  0.659288  0.918528  1
  P  P120  1  0.578386  0.659832  0.252477  1
  P  P121  1  0.579022  0.659943  0.585933  1
  P  P122  1  0.579148  0.660045  0.919174  1
  P  P123  1  0.911559  0.660384  0.255067  1
  P  P124  1  0.911349  0.659601  0.588298  1
  P  P125  1  0.911715  0.659930  0.921730  1
  P  P126  1  0.245625  0.341885  0.084498  1
  P  P127  1  0.243168  0.341244  0.418127  1
  P  P128  1  0.245356  0.341787  0.751477  1
  P  P129  1  0.578909  0.341818  0.085641  1
  P  P130  1  0.576614  0.341382  0.418539  1
  P  P131  1  0.578880  0.341299  0.752507  1
  P  P132  1  0.910215  0.343077  0.087707  1
  P  P133  1  0.913142  0.339331  0.420098  1
  P  P134  1  0.911639  0.341503  0.754250  1
  P  P135  1  0.005605  0.846303  0.097217  1
  P  P136  1  0.004714  0.844558  0.429543  1
  P  P137  1  0.005346  0.845327  0.763071  1
  P  P138  1  0.338966  0.844600  0.093858  1
  P  P139  1  0.339446  0.844397  0.427322  1
  P  P140  1  0.339208  0.844701  0.760729  1
  P  P141  1  0.672632  0.844579  0.093392  1
  P  P142  1  0.672104  0.844588  0.426435  1
  P  P143  1  0.672554  0.844337  0.759709  1
  P  P144  1  0.071314  0.323808  0.032822  1
  P  P145  1  0.071074  0.326001  0.363977  1
  P  P146  1  0.071124  0.324071  0.698311  1
  P  P147  1  0.405689  0.324205  0.029559  1
  P  P148  1  0.401586  0.322326  0.362324  1
  P  P149  1  0.405406  0.324060  0.696071  1
  P  P150  1  0.737976  0.325132  0.029846  1
  P  P151  1  0.738103  0.325144  0.363660  1
  P  P152  1  0.738223  0.324729  0.696504  1
  P  P153  1  0.173707  0.824514  0.154167  1
  P  P154  1  0.173577  0.823633  0.487815  1
  P  P155  1  0.173707  0.824900  0.820984  1
  P  P156  1  0.506991  0.825538  0.153853  1
  P  P157  1  0.507205  0.825323  0.487211  1
  P  P158  1  0.507454  0.825446  0.820500  1
  P  P159  1  0.840182  0.826923  0.157054  1
  P  P160  1  0.839630  0.826329  0.489348  1
  P  P161  1  0.839763  0.825755  0.823135  1
  P  P162  1  0.161131  0.173424  0.315582  1
  P  P163  1  0.173361  0.176091  0.653692  1
  P  P164  1  0.174037  0.176861  0.986303  1
  P  P165  1  0.506682  0.175934  0.319891  1
  P  P166  1  0.506929  0.175496  0.653857  1
  P  P167  1  0.507187  0.175685  0.987140  1
  P  P168  1  0.839508  0.176308  0.322686  1
  P  P169  1  0.839495  0.175951  0.655892  1
  P  P170  1  0.839889  0.176500  0.990139  1
  P  P171  1  0.071143  0.676955  0.198993  1
  P  P172  1  0.070630  0.676762  0.532327  1
  P  P173  1  0.071331  0.677330  0.865816  1
  P  P174  1  0.405101  0.676534  0.196149  1
  P  P175  1  0.405630  0.676496  0.529546  1
  P  P176  1  0.405620  0.677067  0.862961  1
  P  P177  1  0.738551  0.676974  0.196618  1
  P  P178  1  0.738600  0.676298  0.529512  1
  P  P179  1  0.738855  0.676488  0.863233  1
  P  P180  1  0.002490  0.160022  0.100547  1
  P  P181  1  0.004275  0.159347  0.425011  1
  P  P182  1  0.002834  0.159218  0.762828  1
  P  P183  1  0.336961  0.158948  0.094032  1
  P  P184  1  0.332490  0.159317  0.426359  1
  P  P185  1  0.336536  0.159272  0.760513  1
  P  P186  1  0.670041  0.159875  0.093748  1
  P  P187  1  0.669228  0.159874  0.427004  1
  P  P188  1  0.670301  0.159562  0.760227  1
  P  P189  1  0.245403  0.659240  0.084961  1
  P  P190  1  0.245836  0.658931  0.418425  1
  P  P191  1  0.245667  0.659626  0.751792  1
  P  P192  1  0.578926  0.660125  0.085707  1
  P  P193  1  0.578460  0.659923  0.419013  1
  P  P194  1  0.578979  0.659923  0.752382  1
  P  P195  1  0.912281  0.661036  0.088552  1
  P  P196  1  0.911264  0.660328  0.421525  1
  P  P197  1  0.912062  0.660302  0.754859  1
  P  P198  1  0.242153  0.340441  0.251044  1
  P  P199  1  0.245540  0.341003  0.584869  1
  P  P200  1  0.245857  0.341729  0.917930  1
  P  P201  1  0.578456  0.341491  0.251999  1
  P  P202  1  0.578159  0.341052  0.585362  1
  P  P203  1  0.578739  0.341446  0.918810  1
  P  P204  1  0.911968  0.340479  0.254483  1
  P  P205  1  0.911609  0.341055  0.587057  1
  P  P206  1  0.912559  0.341089  0.921538  1
  P  P207  1  0.003483  0.842168  0.263777  1
  P  P208  1  0.002589  0.842269  0.596297  1
  P  P209  1  0.002800  0.842633  0.930227  1
  P  P210  1  0.336390  0.841685  0.260949  1
  P  P211  1  0.336559  0.841083  0.594523  1
  P  P212  1  0.336667  0.841914  0.927613  1
  P  P213  1  0.669877  0.841939  0.260347  1
  P  P214  1  0.670251  0.841803  0.593434  1
  P  P215  1  0.670682  0.841889  0.927002  1
  P  P216  1  0.071633  0.678739  0.034638  1
  P  P217  1  0.071745  0.678182  0.367998  1
  P  P218  1  0.071647  0.678179  0.701154  1
  P  P219  1  0.405451  0.678045  0.031719  1
  P  P220  1  0.405026  0.677330  0.364818  1
  P  P221  1  0.405323  0.677672  0.698317  1
  P  P222  1  0.739189  0.678128  0.032287  1
  P  P223  1  0.738461  0.677847  0.365352  1
  P  P224  1  0.738986  0.677557  0.698761  1
  P  P225  1  0.177534  0.177445  0.149470  1
  P  P226  1  0.176113  0.176935  0.483997  1
  P  P227  1  0.176604  0.178293  0.817811  1
  P  P228  1  0.509921  0.178404  0.151103  1
  P  P229  1  0.507496  0.177553  0.483974  1
  P  P230  1  0.509794  0.177931  0.817919  1
  P  P231  1  0.842723  0.178578  0.153843  1
  P  P232  1  0.842589  0.177930  0.486449  1
  P  P233  1  0.843323  0.178062  0.820780  1
  P  P234  1  0.177018  0.821791  0.318442  1
  P  P235  1  0.176322  0.822762  0.651851  1
  P  P236  1  0.176420  0.823033  0.985026  1
  P  P237  1  0.509439  0.823254  0.317979  1
  P  P238  1  0.509885  0.823042  0.651325  1
  P  P239  1  0.510070  0.823254  0.984617  1
  P  P240  1  0.842797  0.824185  0.320266  1
  P  P241  1  0.842881  0.823508  0.653758  1
  P  P242  1  0.843462  0.824432  0.987925  1
  P  P243  1  0.068706  0.319165  0.200208  1
  P  P244  1  0.072372  0.322652  0.533630  1
  P  P245  1  0.071743  0.322712  0.867777  1
  P  P246  1  0.404275  0.322569  0.198594  1
  P  P247  1  0.404724  0.323021  0.531644  1
  P  P248  1  0.405453  0.323252  0.864920  1
  P  P249  1  0.738746  0.323977  0.199182  1
  P  P250  1  0.737962  0.323450  0.532038  1
  P  P251  1  0.739245  0.323705  0.865797  1
  P  P252  1  0.315523  0.499559  0.017877  1
  P  P253  1  0.314205  0.498547  0.350847  1
  P  P254  1  0.315193  0.499312  0.684433  1
  P  P255  1  0.648288  0.500202  0.019077  1
  P  P256  1  0.647531  0.499814  0.352320  1
  P  P257  1  0.648093  0.499670  0.685715  1
  P  P258  1  0.981598  0.500040  0.021727  1
  P  P259  1  0.980532  0.500375  0.354923  1
  P  P260  1  0.981172  0.499628  0.687977  1
  P  P261  1  0.266204  0.001062  0.164063  1
  P  P262  1  0.266195  1.000350  0.497929  1
  P  P263  1  0.266079  0.001577  0.830449  1
  P  P264  1  0.599605  0.002144  0.162417  1
  P  P265  1  0.599156  0.002100  0.495633  1
  P  P266  1  0.599960  0.002022  0.829119  1
  P  P267  1  0.934235  0.005154  0.168535  1
  P  P268  1  0.932743  0.002756  0.497682  1
  P  P269  1  0.932501  0.002041  0.832973  1
