# generated using pymatgen
data_Fe54P215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.88030703
_cell_length_b   15.91105837
_cell_length_c   19.93286622
_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   5867.92402498
_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  0.033261  0.590414  0.278447  1
  Fe  Fe2  1  0.033649  0.589417  0.612564  1
  Fe  Fe3  1  0.033612  0.591184  0.944262  1
  Fe  Fe4  1  0.366372  0.589994  0.280192  1
  Fe  Fe5  1  0.366890  0.591156  0.614009  1
  Fe  Fe6  1  0.367793  0.591899  0.947357  1
  Fe  Fe7  1  0.700137  0.590584  0.275058  1
  Fe  Fe8  1  0.700984  0.591158  0.608675  1
  Fe  Fe9  1  0.702294  0.590606  0.942792  1
  Fe  Fe10  1  0.217630  0.095852  0.249763  1
  Fe  Fe11  1  0.217049  0.097476  0.581656  1
  Fe  Fe12  1  0.210989  0.093926  0.910017  1
  Fe  Fe13  1  0.551515  0.096944  0.242477  1
  Fe  Fe14  1  0.551341  0.097160  0.575931  1
  Fe  Fe15  1  0.551540  0.097008  0.908826  1
  Fe  Fe16  1  0.885359  0.097270  0.242783  1
  Fe  Fe17  1  0.884988  0.096928  0.576211  1
  Fe  Fe18  1  0.884196  0.095794  0.909128  1
  Fe  Fe19  1  0.216911  0.905045  0.080496  1
  Fe  Fe20  1  0.216945  0.903514  0.414581  1
  Fe  Fe21  1  0.216756  0.904877  0.747525  1
  Fe  Fe22  1  0.550494  0.903871  0.076620  1
  Fe  Fe23  1  0.551629  0.904067  0.409555  1
  Fe  Fe24  1  0.550848  0.904283  0.742818  1
  Fe  Fe25  1  0.885356  0.903644  0.076024  1
  Fe  Fe26  1  0.885073  0.904651  0.409038  1
  Fe  Fe27  1  0.884604  0.903722  0.742642  1
  Fe  Fe28  1  0.035286  0.409669  0.107499  1
  Fe  Fe29  1  0.034116  0.410148  0.445103  1
  Fe  Fe30  1  0.036464  0.407735  0.783964  1
  Fe  Fe31  1  0.356313  0.402520  0.108027  1
  Fe  Fe32  1  0.366696  0.410056  0.447400  1
  Fe  Fe33  1  0.367453  0.411022  0.781195  1
  Fe  Fe34  1  0.702275  0.410412  0.109295  1
  Fe  Fe35  1  0.700842  0.410383  0.442259  1
  Fe  Fe36  1  0.700569  0.410062  0.775121  1
  Fe  Fe37  1  0.287416  0.757057  0.171048  1
  Fe  Fe38  1  0.286695  0.757084  0.504812  1
  Fe  Fe39  1  0.287300  0.758667  0.837605  1
  Fe  Fe40  1  0.621390  0.756691  0.166694  1
  Fe  Fe41  1  0.622219  0.757122  0.500036  1
  Fe  Fe42  1  0.621685  0.757282  0.833071  1
  Fe  Fe43  1  0.954153  0.757835  0.167283  1
  Fe  Fe44  1  0.954546  0.757249  0.501269  1
  Fe  Fe45  1  0.954433  0.756420  0.834648  1
  Fe  Fe46  1  0.291908  0.258211  0.018609  1
  Fe  Fe47  1  0.286785  0.243265  0.340027  1
  Fe  Fe48  1  0.286963  0.243997  0.672288  1
  Fe  Fe49  1  0.622423  0.242728  -0.001366  1
  Fe  Fe50  1  0.621939  0.244274  0.332367  1
  Fe  Fe51  1  0.622537  0.244613  0.666320  1
  Fe  Fe52  1  0.946992  0.240226  0.000323  1
  Fe  Fe53  1  0.955592  0.243946  0.333367  1
  Fe  Fe54  1  0.953798  0.243410  0.667263  1
  P  P55  1  0.138848  0.499847  0.300406  1
  P  P56  1  0.138854  0.498636  0.633894  1
  P  P57  1  0.140501  0.502891  0.966917  1
  P  P58  1  0.471858  0.499217  0.301367  1
  P  P59  1  0.472147  0.499683  0.634446  1
  P  P60  1  0.473059  0.500617  0.967738  1
  P  P61  1  0.805343  0.499515  0.296770  1
  P  P62  1  0.806004  0.499766  0.630162  1
  P  P63  1  0.807541  0.499336  0.964294  1
  P  P64  1  0.110109  1.000516  0.219937  1
  P  P65  1  0.110093  0.001145  0.553286  1
  P  P66  1  0.107895  1.000421  0.885925  1
  P  P67  1  0.443699  0.001483  0.215541  1
  P  P68  1  0.443366  0.001712  0.548658  1
  P  P69  1  0.442046  0.003954  0.881934  1
  P  P70  1  0.777706  0.001339  0.214169  1
  P  P71  1  0.777360  0.001463  0.547486  1
  P  P72  1  0.776688  1.000217  0.880853  1
  P  P73  1  0.109975  0.001569  0.053002  1
  P  P74  1  0.109898  0.999524  0.386428  1
  P  P75  1  0.109783  0.000987  0.720064  1
  P  P76  1  0.442791  1.000261  0.048838  1
  P  P77  1  0.443813  0.999528  0.382177  1
  P  P78  1  0.443431  1.000506  0.715471  1
  P  P79  1  0.776582  0.997676  0.047427  1
  P  P80  1  0.777509  0.999950  0.380754  1
  P  P81  1  0.776865  0.999252  0.714067  1
  P  P82  1  0.138027  0.507345  0.134447  1
  P  P83  1  0.138667  0.501745  0.466930  1
  P  P84  1  0.139389  0.501441  0.800890  1
  P  P85  1  0.469298  0.497343  0.133936  1
  P  P86  1  0.472066  0.501432  0.467830  1
  P  P87  1  0.472561  0.502222  0.801157  1
  P  P88  1  0.806282  0.501639  0.130828  1
  P  P89  1  0.805753  0.501568  0.463348  1
  P  P90  1  0.805690  0.501285  0.796850  1
  P  P91  1  0.313791  0.500211  0.187342  1
  P  P92  1  0.314845  0.501684  0.521671  1
  P  P93  1  0.315579  0.502863  0.855146  1
  P  P94  1  0.647655  0.501069  0.182495  1
  P  P95  1  0.648872  0.501863  0.516164  1
  P  P96  1  0.649300  0.501776  0.849856  1
  P  P97  1  0.982200  0.501153  0.184981  1
  P  P98  1  0.981073  0.501137  0.519713  1
  P  P99  1  0.980519  0.502460  0.851841  1
  P  P100  1  0.265563  0.998941  0.335108  1
  P  P101  1  0.265264  1.000055  0.667922  1
  P  P102  1  0.263760  0.002843  0.001270  1
  P  P103  1  0.599366  0.999436  0.328726  1
  P  P104  1  0.598875  0.999565  0.662056  1
  P  P105  1  0.598231  0.998907  0.995129  1
  P  P106  1  0.933502  0.999785  0.327419  1
  P  P107  1  0.933089  0.998982  0.661414  1
  P  P108  1  0.933291  0.998348  0.994405  1
  P  P109  1  0.005942  0.158765  0.257205  1
  P  P110  1  0.005747  0.157383  0.593033  1
  P  P111  1  0.004839  0.157497  0.925648  1
  P  P112  1  0.338782  0.155124  0.265936  1
  P  P113  1  0.338404  0.155817  0.598820  1
  P  P114  1  0.332948  0.160387  0.934114  1
  P  P115  1  0.672559  0.156493  0.258320  1
  P  P116  1  0.672504  0.156474  0.591966  1
  P  P117  1  0.671927  0.156002  0.924611  1
  P  P118  1  0.244725  0.659174  0.254944  1
  P  P119  1  0.244431  0.659397  0.588652  1
  P  P120  1  0.245597  0.661375  0.921927  1
  P  P121  1  0.578241  0.658643  0.250121  1
  P  P122  1  0.578930  0.659351  0.583652  1
  P  P123  1  0.579648  0.659431  0.917388  1
  P  P124  1  0.911769  0.659560  0.251833  1
  P  P125  1  0.912271  0.659476  0.586212  1
  P  P126  1  0.911896  0.658603  0.919500  1
  P  P127  1  0.231173  0.347370  0.086488  1
  P  P128  1  0.244488  0.341678  0.422743  1
  P  P129  1  0.245017  0.342879  0.755341  1
  P  P130  1  0.581541  0.340273  0.083386  1
  P  P131  1  0.579073  0.341812  0.416714  1
  P  P132  1  0.578893  0.342336  0.749944  1
  P  P133  1  0.912587  0.340906  0.086322  1
  P  P134  1  0.912523  0.340868  0.419209  1
  P  P135  1  0.913580  0.339842  0.754894  1
  P  P136  1  0.005912  0.844147  0.092865  1
  P  P137  1  0.005267  0.843961  0.426031  1
  P  P138  1  0.005293  0.843656  0.759333  1
  P  P139  1  0.338057  0.845986  0.096985  1
  P  P140  1  0.338391  0.844946  0.431119  1
  P  P141  1  0.338466  0.846495  0.764457  1
  P  P142  1  0.671686  0.843915  0.092250  1
  P  P143  1  0.672725  0.844932  0.425728  1
  P  P144  1  0.672148  0.844818  0.758981  1
  P  P145  1  0.071896  0.325546  0.362681  1
  P  P146  1  0.071418  0.324195  0.700627  1
  P  P147  1  0.407749  0.325577  0.033591  1
  P  P148  1  0.404644  0.323154  0.366536  1
  P  P149  1  0.404602  0.323765  0.699964  1
  P  P150  1  0.740123  0.323638  0.027683  1
  P  P151  1  0.738770  0.324265  0.361141  1
  P  P152  1  0.739786  0.324437  0.694653  1
  P  P153  1  0.172896  0.825286  0.157002  1
  P  P154  1  0.172184  0.824912  0.490698  1
  P  P155  1  0.172457  0.825741  0.823679  1
  P  P156  1  0.506593  0.824437  0.153164  1
  P  P157  1  0.507343  0.824789  0.486228  1
  P  P158  1  0.507110  0.825542  0.819982  1
  P  P159  1  0.840413  0.825467  0.152849  1
  P  P160  1  0.840618  0.825949  0.486434  1
  P  P161  1  0.840124  0.824926  0.819667  1
  P  P162  1  0.172231  0.175304  0.325262  1
  P  P163  1  0.172636  0.176292  0.658637  1
  P  P164  1  0.172732  0.181693  0.991794  1
  P  P165  1  0.507466  0.176407  0.319085  1
  P  P166  1  0.507395  0.176964  0.652189  1
  P  P167  1  0.506043  0.176037  0.984848  1
  P  P168  1  0.840758  0.175906  0.319700  1
  P  P169  1  0.840142  0.175134  0.653389  1
  P  P170  1  0.838286  0.172556  0.987129  1
  P  P171  1  0.071299  0.677875  0.197992  1
  P  P172  1  0.071242  0.675774  0.530529  1
  P  P173  1  0.071933  0.676432  0.863451  1
  P  P174  1  0.404229  0.675833  0.198806  1
  P  P175  1  0.404518  0.677570  0.532846  1
  P  P176  1  0.405032  0.678743  0.866369  1
  P  P177  1  0.738434  0.676603  0.194724  1
  P  P178  1  0.739275  0.677144  0.528018  1
  P  P179  1  0.738951  0.676839  0.861490  1
  P  P180  1  0.005586  0.163735  0.090159  1
  P  P181  1  0.003870  0.160116  0.425856  1
  P  P182  1  0.002279  0.159652  0.760742  1
  P  P183  1  0.334406  0.160177  0.099690  1
  P  P184  1  0.335843  0.158732  0.432348  1
  P  P185  1  0.334985  0.159986  0.766365  1
  P  P186  1  0.670303  0.158350  0.091738  1
  P  P187  1  0.670114  0.159295  0.425542  1
  P  P188  1  0.669489  0.159355  0.758690  1
  P  P189  1  0.245196  0.660952  0.088031  1
  P  P190  1  0.245250  0.659846  0.421721  1
  P  P191  1  0.245512  0.660731  0.755262  1
  P  P192  1  0.578427  0.658582  0.083628  1
  P  P193  1  0.579054  0.659458  0.416978  1
  P  P194  1  0.578775  0.659695  0.750298  1
  P  P195  1  0.913462  0.657909  0.084863  1
  P  P196  1  0.911575  0.660016  0.418835  1
  P  P197  1  0.911826  0.659732  0.752043  1
  P  P198  1  0.245324  0.340056  0.256063  1
  P  P199  1  0.245679  0.341117  0.588981  1
  P  P200  1  0.247643  0.342791  0.922262  1
  P  P201  1  0.577494  0.341463  0.249434  1
  P  P202  1  0.579266  0.341925  0.583324  1
  P  P203  1  0.579146  0.341604  0.916667  1
  P  P204  1  0.912525  0.341837  0.252069  1
  P  P205  1  0.911848  0.341079  0.586154  1
  P  P206  1  0.910932  0.339376  0.920034  1
  P  P207  1  0.002722  0.842136  0.259864  1
  P  P208  1  0.003295  0.841327  0.593223  1
  P  P209  1  0.002717  0.840611  0.926466  1
  P  P210  1  0.336177  0.841330  0.264253  1
  P  P211  1  0.335481  0.842262  0.597824  1
  P  P212  1  0.335358  0.844137  0.931100  1
  P  P213  1  0.669747  0.841630  0.259249  1
  P  P214  1  0.669953  0.841960  0.592705  1
  P  P215  1  0.670093  0.841617  0.926115  1
  P  P216  1  0.071535  0.677341  0.032591  1
  P  P217  1  0.071864  0.677337  0.366349  1
  P  P218  1  0.072335  0.676792  0.699584  1
  P  P219  1  0.405180  0.678926  0.035200  1
  P  P220  1  0.404820  0.677967  0.367955  1
  P  P221  1  0.404733  0.679041  0.701630  1
  P  P222  1  0.739547  0.677530  0.030866  1
  P  P223  1  0.738271  0.677706  0.363276  1
  P  P224  1  0.738581  0.677952  0.696914  1
  P  P225  1  0.177359  0.176101  0.157089  1
  P  P226  1  0.175804  0.177976  0.489062  1
  P  P227  1  0.172861  0.181554  0.822434  1
  P  P228  1  0.509524  0.178321  0.149904  1
  P  P229  1  0.510006  0.178490  0.483378  1
  P  P230  1  0.509771  0.178788  0.816102  1
  P  P231  1  0.843043  0.178060  0.150663  1
  P  P232  1  0.843162  0.177927  0.483938  1
  P  P233  1  0.841628  0.176843  0.817260  1
  P  P234  1  0.175812  0.823039  0.321325  1
  P  P235  1  0.175782  0.823738  0.654770  1
  P  P236  1  0.175458  0.824397  0.987903  1
  P  P237  1  0.509960  0.822495  0.317236  1
  P  P238  1  0.509490  0.822981  0.650435  1
  P  P239  1  0.509214  0.822876  0.983912  1
  P  P240  1  0.842897  0.823243  0.317168  1
  P  P241  1  0.842963  0.822982  0.650457  1
  P  P242  1  0.843318  0.822249  0.983907  1
  P  P243  1  0.073627  0.325625  0.196115  1
  P  P244  1  0.072317  0.324224  0.533878  1
  P  P245  1  0.073043  0.328534  0.878139  1
  P  P246  1  0.401585  0.322431  0.200288  1
  P  P247  1  0.404937  0.322571  0.535203  1
  P  P248  1  0.405348  0.323033  0.868670  1
  P  P249  1  0.739238  0.323274  0.197169  1
  P  P250  1  0.738846  0.323293  0.530067  1
  P  P251  1  0.738408  0.323132  0.863180  1
  P  P252  1  0.315084  0.501242  0.021671  1
  P  P253  1  0.314695  0.499067  0.354775  1
  P  P254  1  0.315112  0.500049  0.688426  1
  P  P255  1  0.649885  0.499083  0.016260  1
  P  P256  1  0.648466  0.499150  0.349309  1
  P  P257  1  0.648885  0.499670  0.682860  1
  P  P258  1  0.986088  0.492457  0.017279  1
  P  P259  1  0.980966  0.499904  0.352773  1
  P  P260  1  0.982025  0.498277  0.687362  1
  P  P261  1  0.265653  1.000606  0.168761  1
  P  P262  1  0.264938  0.001533  0.501213  1
  P  P263  1  0.264275  0.003167  0.834018  1
  P  P264  1  0.599203  0.001447  0.161999  1
  P  P265  1  0.599289  0.001730  0.495511  1
  P  P266  1  0.598747  0.001616  0.828740  1
  P  P267  1  0.933624  0.003850  0.159799  1
  P  P268  1  0.933469  0.002394  0.494584  1
  P  P269  1  0.932223  0.001415  0.827909  1
