# generated using pymatgen
data_Fe54P215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.88865092
_cell_length_b   15.91037990
_cell_length_c   19.93089711
_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   5869.68703839
_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  0.029661  0.596487  0.268275  1
  Fe  Fe2  1  0.033242  0.591218  0.607214  1
  Fe  Fe3  1  0.032752  0.592281  0.939796  1
  Fe  Fe4  1  0.384150  0.583123  0.287188  1
  Fe  Fe5  1  0.365834  0.590311  0.615815  1
  Fe  Fe6  1  0.365800  0.590213  0.949917  1
  Fe  Fe7  1  0.701268  0.591431  0.278400  1
  Fe  Fe8  1  0.699792  0.590712  0.612263  1
  Fe  Fe9  1  0.699778  0.591576  0.945931  1
  Fe  Fe10  1  0.218022  0.097506  0.245741  1
  Fe  Fe11  1  0.217086  0.097042  0.579076  1
  Fe  Fe12  1  0.217558  0.097542  0.912060  1
  Fe  Fe13  1  0.550786  0.097300  0.247109  1
  Fe  Fe14  1  0.549703  0.097217  0.580366  1
  Fe  Fe15  1  0.550649  0.098163  0.914123  1
  Fe  Fe16  1  0.885391  0.095972  0.240324  1
  Fe  Fe17  1  0.884686  0.096890  0.574535  1
  Fe  Fe18  1  0.879129  0.090693  0.900620  1
  Fe  Fe19  1  0.218030  0.905771  0.077187  1
  Fe  Fe20  1  0.217538  0.903673  0.410607  1
  Fe  Fe21  1  0.216806  0.904537  0.745442  1
  Fe  Fe22  1  0.551653  0.903843  0.081069  1
  Fe  Fe23  1  0.549546  0.903555  0.413392  1
  Fe  Fe24  1  0.549403  0.903826  0.747112  1
  Fe  Fe25  1  0.880341  0.910686  0.067554  1
  Fe  Fe26  1  0.884506  0.903920  0.407638  1
  Fe  Fe27  1  0.884480  0.903916  0.740782  1
  Fe  Fe28  1  0.027820  0.402010  0.100389  1
  Fe  Fe29  1  0.034416  0.410313  0.440221  1
  Fe  Fe30  1  0.033121  0.410411  0.773599  1
  Fe  Fe31  1  0.365248  0.416131  0.119978  1
  Fe  Fe32  1  0.365763  0.411983  0.448418  1
  Fe  Fe33  1  0.365353  0.411472  0.783119  1
  Fe  Fe34  1  0.701400  0.410561  0.112261  1
  Fe  Fe35  1  0.700866  0.409422  0.446045  1
  Fe  Fe36  1  0.699546  0.410421  0.779044  1
  Fe  Fe37  1  0.289668  0.763514  0.164864  1
  Fe  Fe38  1  0.286208  0.757119  0.503700  1
  Fe  Fe39  1  0.286151  0.758140  0.837586  1
  Fe  Fe40  1  0.620083  0.757824  0.170359  1
  Fe  Fe41  1  0.619595  0.756005  0.502714  1
  Fe  Fe42  1  0.619076  0.757154  0.836635  1
  Fe  Fe43  1  0.968737  0.741811  0.178526  1
  Fe  Fe44  1  0.954891  0.756943  0.499076  1
  Fe  Fe45  1  0.955659  0.756519  0.832434  1
  Fe  Fe46  1  0.285154  0.244251  0.004471  1
  Fe  Fe47  1  0.285815  0.244116  0.337333  1
  Fe  Fe48  1  0.286067  0.243778  0.671120  1
  Fe  Fe49  1  0.619460  0.243959  0.003025  1
  Fe  Fe50  1  0.621561  0.243048  0.337258  1
  Fe  Fe51  1  0.619526  0.244079  0.670190  1
  Fe  Fe52  1  0.963041  0.257307  0.010615  1
  Fe  Fe53  1  0.956801  0.243676  0.331559  1
  Fe  Fe54  1  0.955664  0.244148  0.665317  1
  P  P55  1  0.139283  0.502140  0.296346  1
  P  P56  1  0.138340  0.499842  0.629180  1
  P  P57  1  0.138363  0.501579  0.960816  1
  P  P58  1  0.476516  0.494866  0.304248  1
  P  P59  1  0.470907  0.499514  0.636645  1
  P  P60  1  0.471034  0.499751  0.969885  1
  P  P61  1  0.805668  0.498421  0.299941  1
  P  P62  1  0.804814  0.499235  0.632908  1
  P  P63  1  0.804582  0.499545  0.965959  1
  P  P64  1  0.110986  0.001156  0.217111  1
  P  P65  1  0.109755  0.001169  0.549704  1
  P  P66  1  0.109127  0.002861  0.883953  1
  P  P67  1  0.443066  0.001940  0.219078  1
  P  P68  1  0.442436  0.001394  0.552184  1
  P  P69  1  0.442507  0.002543  0.885762  1
  P  P70  1  0.777918  0.999877  0.213044  1
  P  P71  1  0.776470  0.001677  0.546658  1
  P  P72  1  0.775350  0.999060  0.879869  1
  P  P73  1  0.109231  0.998859  0.050396  1
  P  P74  1  0.110360  0.997893  0.382531  1
  P  P75  1  0.109334  0.999986  0.716825  1
  P  P76  1  0.443775  0.000838  0.052651  1
  P  P77  1  0.443019  1.000462  0.385586  1
  P  P78  1  0.442307  0.999892  0.718852  1
  P  P79  1  0.776437  0.002818  0.046224  1
  P  P80  1  0.776723  0.998933  0.379674  1
  P  P81  1  0.776678  0.999750  0.713800  1
  P  P82  1  0.136013  0.495090  0.125539  1
  P  P83  1  0.139040  0.501839  0.463223  1
  P  P84  1  0.138007  0.501786  0.795141  1
  P  P85  1  0.471754  0.502714  0.136456  1
  P  P86  1  0.471876  0.501133  0.470638  1
  P  P87  1  0.470743  0.501908  0.803205  1
  P  P88  1  0.805537  0.503121  0.133210  1
  P  P89  1  0.805878  0.500982  0.466787  1
  P  P90  1  0.804736  0.501849  0.799401  1
  P  P91  1  0.310804  0.507413  0.194226  1
  P  P92  1  0.313316  0.501704  0.523478  1
  P  P93  1  0.312444  0.501508  0.858261  1
  P  P94  1  0.648765  0.501935  0.186322  1
  P  P95  1  0.648289  0.501412  0.519321  1
  P  P96  1  0.647737  0.501974  0.852905  1
  P  P97  1  0.983732  0.500053  0.180722  1
  P  P98  1  0.982010  0.501822  0.514302  1
  P  P99  1  0.981149  0.501820  0.847840  1
  P  P100  1  0.266229  0.998929  0.330393  1
  P  P101  1  0.265160  0.999422  0.664481  1
  P  P102  1  0.265935  0.999794  0.997132  1
  P  P103  1  0.597831  0.999478  0.333937  1
  P  P104  1  0.597632  0.999669  0.667360  1
  P  P105  1  0.598151  1.000134  0.000703  1
  P  P106  1  0.933362  0.998867  0.326713  1
  P  P107  1  0.932362  0.999250  0.659525  1
  P  P108  1  0.933215  0.000719  0.992010  1
  P  P109  1  0.005830  0.156898  0.256232  1
  P  P110  1  0.005566  0.157017  0.590297  1
  P  P111  1  0.001426  0.160237  0.924867  1
  P  P112  1  0.338132  0.158434  0.262186  1
  P  P113  1  0.337643  0.156939  0.595877  1
  P  P114  1  0.337433  0.158355  0.929081  1
  P  P115  1  0.672758  0.154553  0.263963  1
  P  P116  1  0.671160  0.155351  0.597237  1
  P  P117  1  0.673186  0.155274  0.930769  1
  P  P118  1  0.244321  0.660620  0.589134  1
  P  P119  1  0.245214  0.662303  0.924495  1
  P  P120  1  0.577579  0.658553  0.253510  1
  P  P121  1  0.577336  0.658628  0.586618  1
  P  P122  1  0.577443  0.659171  0.920612  1
  P  P123  1  0.909458  0.655970  0.250203  1
  P  P124  1  0.911323  0.659040  0.582286  1
  P  P125  1  0.911044  0.659174  0.915502  1
  P  P126  1  0.247133  0.340419  0.092096  1
  P  P127  1  0.244632  0.341741  0.422780  1
  P  P128  1  0.244377  0.340704  0.756927  1
  P  P129  1  0.578069  0.342777  0.086693  1
  P  P130  1  0.578561  0.341602  0.420123  1
  P  P131  1  0.577375  0.342385  0.753609  1
  P  P132  1  0.907332  0.344609  0.083595  1
  P  P133  1  0.913033  0.341819  0.415121  1
  P  P134  1  0.911320  0.342355  0.748231  1
  P  P135  1  0.002882  0.841095  0.092335  1
  P  P136  1  0.004958  0.843565  0.424003  1
  P  P137  1  0.005288  0.843610  0.757059  1
  P  P138  1  0.339273  0.846023  0.093616  1
  P  P139  1  0.338814  0.846135  0.430050  1
  P  P140  1  0.337354  0.844534  0.762105  1
  P  P141  1  0.674879  0.846637  0.098008  1
  P  P142  1  0.670762  0.844975  0.430214  1
  P  P143  1  0.670959  0.845536  0.763689  1
  P  P144  1  0.076957  0.326159  0.025224  1
  P  P145  1  0.073200  0.325364  0.359370  1
  P  P146  1  0.072136  0.324959  0.693091  1
  P  P147  1  0.402737  0.326909  0.034669  1
  P  P148  1  0.403205  0.325523  0.367107  1
  P  P149  1  0.403192  0.325097  0.700512  1
  P  P150  1  0.736606  0.322731  0.030569  1
  P  P151  1  0.738997  0.322374  0.365233  1
  P  P152  1  0.737065  0.323391  0.697997  1
  P  P153  1  0.172733  0.828589  0.154530  1
  P  P154  1  0.172522  0.826041  0.488012  1
  P  P155  1  0.172266  0.827127  0.822620  1
  P  P156  1  0.505662  0.824758  0.156881  1
  P  P157  1  0.505762  0.824304  0.489975  1
  P  P158  1  0.504759  0.824882  0.823504  1
  P  P159  1  0.847579  0.822241  0.150856  1
  P  P160  1  0.840024  0.824914  0.484279  1
  P  P161  1  0.840529  0.824321  0.817280  1
  P  P162  1  0.172468  0.174527  0.322886  1
  P  P163  1  0.172322  0.175014  0.656092  1
  P  P164  1  0.171532  0.173682  0.989284  1
  P  P165  1  0.506108  0.177028  0.323266  1
  P  P166  1  0.505120  0.176667  0.656625  1
  P  P167  1  0.505158  0.177502  0.990125  1
  P  P168  1  0.841714  0.175531  0.317505  1
  P  P169  1  0.840537  0.176366  0.650722  1
  P  P170  1  0.844759  0.178581  0.983175  1
  P  P171  1  0.086233  0.672229  0.196788  1
  P  P172  1  0.072124  0.676915  0.527337  1
  P  P173  1  0.072526  0.676800  0.860176  1
  P  P174  1  0.403036  0.676495  0.199997  1
  P  P175  1  0.403128  0.676260  0.532694  1
  P  P176  1  0.403178  0.676222  0.866651  1
  P  P177  1  0.737631  0.679187  0.197941  1
  P  P178  1  0.737043  0.677291  0.530815  1
  P  P179  1  0.736892  0.677921  0.864507  1
  P  P180  1  0.003926  0.159351  0.091596  1
  P  P181  1  0.004208  0.159433  0.423716  1
  P  P182  1  0.002809  0.160036  0.757918  1
  P  P183  1  0.336618  0.159981  0.095897  1
  P  P184  1  0.335750  0.159490  0.429321  1
  P  P185  1  0.335861  0.159504  0.762946  1
  P  P186  1  0.668070  0.159579  0.097434  1
  P  P187  1  0.669075  0.158224  0.430659  1
  P  P188  1  0.667814  0.159022  0.763884  1
  P  P189  1  0.242487  0.662067  0.091268  1
  P  P190  1  0.243350  0.660480  0.420704  1
  P  P191  1  0.243870  0.660814  0.756140  1
  P  P192  1  0.579706  0.660620  0.087074  1
  P  P193  1  0.576089  0.658378  0.418965  1
  P  P194  1  0.577735  0.659730  0.753525  1
  P  P195  1  0.915570  0.659490  0.084471  1
  P  P196  1  0.911340  0.658958  0.416141  1
  P  P197  1  0.911814  0.659264  0.748857  1
  P  P198  1  0.243545  0.342162  0.256445  1
  P  P199  1  0.244234  0.341081  0.589364  1
  P  P200  1  0.243160  0.341425  0.923551  1
  P  P201  1  0.580815  0.340377  0.253519  1
  P  P202  1  0.578041  0.341498  0.586809  1
  P  P203  1  0.578352  0.341757  0.919979  1
  P  P204  1  0.912476  0.341339  0.249237  1
  P  P205  1  0.912005  0.341717  0.581612  1
  P  P206  1  0.912478  0.342074  0.916108  1
  P  P207  1  0.007090  0.840260  0.259200  1
  P  P208  1  0.002665  0.841507  0.591006  1
  P  P209  1  0.002547  0.841347  0.924953  1
  P  P210  1  0.335155  0.840912  0.261063  1
  P  P211  1  0.335353  0.842036  0.595963  1
  P  P212  1  0.336421  0.842608  0.928861  1
  P  P213  1  0.668515  0.842217  0.264198  1
  P  P214  1  0.668369  0.841840  0.596883  1
  P  P215  1  0.667720  0.841758  0.930703  1
  P  P216  1  0.071689  0.677054  0.029329  1
  P  P217  1  0.069894  0.676869  0.362709  1
  P  P218  1  0.071428  0.677308  0.695687  1
  P  P219  1  0.405770  0.678173  0.036031  1
  P  P220  1  0.402953  0.679410  0.368581  1
  P  P221  1  0.404278  0.678251  0.702357  1
  P  P222  1  0.740060  0.678392  0.034047  1
  P  P223  1  0.737727  0.678788  0.366554  1
  P  P224  1  0.737456  0.678561  0.699927  1
  P  P225  1  0.175957  0.177907  0.153615  1
  P  P226  1  0.175848  0.177734  0.486712  1
  P  P227  1  0.175212  0.177891  0.819959  1
  P  P228  1  0.509142  0.178937  0.154542  1
  P  P229  1  0.508834  0.178332  0.487401  1
  P  P230  1  0.508860  0.178647  0.821049  1
  P  P231  1  0.843085  0.177571  0.148151  1
  P  P232  1  0.843414  0.178319  0.481767  1
  P  P233  1  0.841512  0.178591  0.813458  1
  P  P234  1  0.180084  0.818933  0.318668  1
  P  P235  1  0.175083  0.823882  0.652931  1
  P  P236  1  0.174911  0.824675  0.985658  1
  P  P237  1  0.508260  0.822747  0.320497  1
  P  P238  1  0.508516  0.822940  0.653960  1
  P  P239  1  0.509397  0.823726  0.988061  1
  P  P240  1  0.843563  0.822402  0.314821  1
  P  P241  1  0.842462  0.822658  0.648526  1
  P  P242  1  0.841853  0.822755  0.980601  1
  P  P243  1  0.071041  0.323542  0.194192  1
  P  P244  1  0.071910  0.323847  0.528667  1
  P  P245  1  0.071090  0.323956  0.861577  1
  P  P246  1  0.405564  0.325941  0.203975  1
  P  P247  1  0.404273  0.323621  0.535869  1
  P  P248  1  0.404519  0.323987  0.869999  1
  P  P249  1  0.738936  0.322491  0.199840  1
  P  P250  1  0.737884  0.321849  0.533767  1
  P  P251  1  0.738217  0.322866  0.866726  1
  P  P252  1  0.312540  0.502008  0.026177  1
  P  P253  1  0.314685  0.502603  0.356727  1
  P  P254  1  0.312916  0.500350  0.690807  1
  P  P255  1  0.648294  0.499842  0.019715  1
  P  P256  1  0.650461  0.499343  0.353357  1
  P  P257  1  0.647719  0.499505  0.686129  1
  P  P258  1  0.980785  0.500284  0.013889  1
  P  P259  1  0.982885  0.499711  0.347089  1
  P  P260  1  0.981150  0.499445  0.680968  1
  P  P261  1  0.266194  0.003682  0.163617  1
  P  P262  1  0.265063  0.002233  0.497480  1
  P  P263  1  0.265189  0.002637  0.830864  1
  P  P264  1  0.598585  0.001457  0.167430  1
  P  P265  1  0.597710  0.001109  0.500650  1
  P  P266  1  0.597219  0.001528  0.834037  1
  P  P267  1  0.933700  0.999990  0.160046  1
  P  P268  1  0.932475  0.001924  0.493041  1
  P  P269  1  0.933228  0.001329  0.825407  1
