# generated using pymatgen
data_Fe53P216
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.88380670
_cell_length_b   15.91510379
_cell_length_c   19.93088184
_cell_angle_alpha   90.00000000
_cell_angle_beta   101.49098154
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe53P216
_chemical_formula_sum   'Fe53 P216'
_cell_volume   5869.91948933
_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  0.033803  0.590952  0.610419  1
  Fe  Fe2  1  0.034049  0.590908  0.945726  1
  Fe  Fe3  1  0.366995  0.590459  0.279790  1
  Fe  Fe4  1  0.366797  0.590535  0.613245  1
  Fe  Fe5  1  0.366978  0.590504  0.946399  1
  Fe  Fe6  1  0.701046  0.590708  0.277633  1
  Fe  Fe7  1  0.700166  0.590955  0.610875  1
  Fe  Fe8  1  0.700321  0.590787  0.944205  1
  Fe  Fe9  1  0.217335  0.096830  0.245544  1
  Fe  Fe10  1  0.217370  0.097094  0.578776  1
  Fe  Fe11  1  0.217248  0.097049  0.912514  1
  Fe  Fe12  1  0.550811  0.097087  0.244504  1
  Fe  Fe13  1  0.550824  0.097044  0.577810  1
  Fe  Fe14  1  0.550987  0.097073  0.911019  1
  Fe  Fe15  1  0.884436  0.097613  0.243594  1
  Fe  Fe16  1  0.884596  0.096845  0.576798  1
  Fe  Fe17  1  0.884490  0.097092  0.910452  1
  Fe  Fe18  1  0.216973  0.903308  0.079464  1
  Fe  Fe19  1  0.216802  0.903848  0.412121  1
  Fe  Fe20  1  0.217363  0.903959  0.745579  1
  Fe  Fe21  1  0.550910  0.903976  0.077676  1
  Fe  Fe22  1  0.550862  0.903911  0.411014  1
  Fe  Fe23  1  0.550868  0.903893  0.744311  1
  Fe  Fe24  1  0.884356  0.904222  0.076956  1
  Fe  Fe25  1  0.884703  0.904033  0.410145  1
  Fe  Fe26  1  0.884512  0.904039  0.743619  1
  Fe  Fe27  1  0.032737  0.413598  0.114559  1
  Fe  Fe28  1  0.032406  0.411943  0.441712  1
  Fe  Fe29  1  0.033740  0.410509  0.778257  1
  Fe  Fe30  1  0.367457  0.410131  0.113094  1
  Fe  Fe31  1  0.367097  0.410361  0.446294  1
  Fe  Fe32  1  0.366848  0.410355  0.779710  1
  Fe  Fe33  1  0.700939  0.410225  0.111016  1
  Fe  Fe34  1  0.700206  0.410296  0.444375  1
  Fe  Fe35  1  0.700410  0.410260  0.777561  1
  Fe  Fe36  1  0.287584  0.757328  0.169659  1
  Fe  Fe37  1  0.286064  0.756590  0.502823  1
  Fe  Fe38  1  0.287279  0.757369  0.836484  1
  Fe  Fe39  1  0.621111  0.757320  0.168278  1
  Fe  Fe40  1  0.621101  0.757204  0.501642  1
  Fe  Fe41  1  0.621321  0.757093  0.835008  1
  Fe  Fe42  1  0.955389  0.755469  0.170279  1
  Fe  Fe43  1  0.955077  0.756803  0.500794  1
  Fe  Fe44  1  0.954703  0.757432  0.834237  1
  Fe  Fe45  1  0.287564  0.243293  0.003020  1
  Fe  Fe46  1  0.287355  0.243341  0.336337  1
  Fe  Fe47  1  0.287175  0.243912  0.669649  1
  Fe  Fe48  1  0.621434  0.243868  0.001601  1
  Fe  Fe49  1  0.621131  0.243876  0.335034  1
  Fe  Fe50  1  0.621285  0.243843  0.668413  1
  Fe  Fe51  1  0.954578  0.244270  0.001874  1
  Fe  Fe52  1  0.955028  0.244897  0.334780  1
  Fe  Fe53  1  0.954644  0.243755  0.668056  1
  P  P54  1  0.140842  0.497241  0.299896  1
  P  P55  1  0.138560  0.499363  0.632696  1
  P  P56  1  0.138803  0.499535  0.966174  1
  P  P57  1  0.472097  0.499396  0.300646  1
  P  P58  1  0.472003  0.499437  0.633806  1
  P  P59  1  0.472105  0.499272  0.967100  1
  P  P60  1  0.806294  0.499910  0.299202  1
  P  P61  1  0.805446  0.499604  0.632073  1
  P  P62  1  0.805560  0.499743  0.965311  1
  P  P63  1  0.109821  0.001344  0.217120  1
  P  P64  1  0.110014  0.001330  0.550554  1
  P  P65  1  0.109783  0.001395  0.883870  1
  P  P66  1  0.443210  0.001280  0.216231  1
  P  P67  1  0.443127  0.001337  0.549597  1
  P  P68  1  0.443337  0.001357  0.882884  1
  P  P69  1  0.776850  0.001722  0.215317  1
  P  P70  1  0.776875  0.001534  0.548570  1
  P  P71  1  0.776893  0.001453  0.882010  1
  P  P72  1  0.109697  0.999255  0.050648  1
  P  P73  1  0.109563  0.999835  0.383860  1
  P  P74  1  0.110008  0.999761  0.717177  1
  P  P75  1  0.443152  0.999435  0.049473  1
  P  P76  1  0.443006  0.999224  0.382870  1
  P  P77  1  0.443275  0.999639  0.716268  1
  P  P78  1  0.776771  0.999785  0.048607  1
  P  P79  1  0.776865  0.999949  0.382081  1
  P  P80  1  0.776869  0.999605  0.715277  1
  P  P81  1  0.140104  0.501120  0.132758  1
  P  P82  1  0.139877  0.500115  0.466747  1
  P  P83  1  0.138691  0.501711  0.799410  1
  P  P84  1  0.472417  0.501481  0.133870  1
  P  P85  1  0.471938  0.501737  0.467111  1
  P  P86  1  0.471965  0.501610  0.800410  1
  P  P87  1  0.805935  0.501559  0.132017  1
  P  P88  1  0.805118  0.501708  0.465612  1
  P  P89  1  0.805528  0.501611  0.798680  1
  P  P90  1  0.315308  0.501047  0.187587  1
  P  P91  1  0.314880  0.501368  0.520786  1
  P  P92  1  0.314649  0.501330  0.854100  1
  P  P93  1  0.648852  0.501467  0.185307  1
  P  P94  1  0.648143  0.501619  0.518546  1
  P  P95  1  0.648334  0.501506  0.851845  1
  P  P96  1  0.983626  0.502841  0.188304  1
  P  P97  1  0.981268  0.501506  0.518508  1
  P  P98  1  0.981508  0.501409  0.852949  1
  P  P99  1  0.264997  0.998787  0.331448  1
  P  P100  1  0.265442  0.999439  0.664934  1
  P  P101  1  0.264992  0.999054  -0.001643  1
  P  P102  1  0.598715  0.999393  0.330360  1
  P  P103  1  0.598768  0.999324  0.663648  1
  P  P104  1  0.598822  0.999390  0.996992  1
  P  P105  1  0.932235  1.000078  0.329486  1
  P  P106  1  0.932671  0.998953  0.662373  1
  P  P107  1  0.932618  0.999311  0.995884  1
  P  P108  1  0.005314  0.157043  0.259968  1
  P  P109  1  0.005452  0.156658  0.593348  1
  P  P110  1  0.005216  0.157091  0.926810  1
  P  P111  1  0.338386  0.155857  0.262062  1
  P  P112  1  0.338322  0.156302  0.595278  1
  P  P113  1  0.338481  0.155929  0.928814  1
  P  P114  1  0.672015  0.156329  0.260718  1
  P  P115  1  0.672025  0.156181  0.594071  1
  P  P116  1  0.672188  0.156212  0.927351  1
  P  P117  1  0.245057  0.659387  0.253586  1
  P  P118  1  0.244536  0.659306  0.587631  1
  P  P119  1  0.245040  0.659567  0.920849  1
  P  P120  1  0.578605  0.659179  0.252113  1
  P  P121  1  0.578102  0.659405  0.585485  1
  P  P122  1  0.578330  0.659213  0.918810  1
  P  P123  1  0.910239  0.661378  0.252177  1
  P  P124  1  0.912148  0.659779  0.585763  1
  P  P125  1  0.912266  0.659807  0.919111  1
  P  P126  1  0.245517  0.340864  0.087515  1
  P  P127  1  0.245319  0.341036  0.420800  1
  P  P128  1  0.244858  0.341387  0.754183  1
  P  P129  1  0.578798  0.341642  0.085705  1
  P  P130  1  0.578271  0.341818  0.418897  1
  P  P131  1  0.578419  0.341703  0.752266  1
  P  P132  1  0.912184  0.342344  0.086749  1
  P  P133  1  0.911394  0.342893  0.418179  1
  P  P134  1  0.912041  0.341500  0.752567  1
  P  P135  1  0.004741  0.843507  0.093786  1
  P  P136  1  0.005240  0.842867  0.425290  1
  P  P137  1  0.005428  0.844219  0.759692  1
  P  P138  1  0.338310  0.844696  0.095437  1
  P  P139  1  0.337645  0.844211  0.428717  1
  P  P140  1  0.338441  0.844870  0.762108  1
  P  P141  1  0.672138  0.845048  0.094102  1
  P  P142  1  0.672026  0.845026  0.427451  1
  P  P143  1  0.672013  0.844776  0.760629  1
  P  P144  1  0.071254  0.325537  0.030992  1
  P  P145  1  0.072219  0.325060  0.362776  1
  P  P146  1  0.071565  0.324513  0.696622  1
  P  P147  1  0.404850  0.323856  0.031629  1
  P  P148  1  0.404468  0.324181  0.364821  1
  P  P149  1  0.404445  0.324171  0.698161  1
  P  P150  1  0.738675  0.324223  0.029901  1
  P  P151  1  0.738110  0.324324  0.363265  1
  P  P152  1  0.738464  0.324104  0.696570  1
  P  P153  1  0.172078  0.824006  0.156069  1
  P  P154  1  0.172135  0.825212  0.488792  1
  P  P155  1  0.172823  0.825285  0.822364  1
  P  P156  1  0.506521  0.824961  0.154289  1
  P  P157  1  0.506295  0.824912  0.487554  1
  P  P158  1  0.506624  0.824899  0.820987  1
  P  P159  1  0.840358  0.825378  0.153804  1
  P  P160  1  0.840268  0.825487  0.487138  1
  P  P161  1  0.840159  0.825282  0.820468  1
  P  P162  1  0.172938  0.175491  0.322283  1
  P  P163  1  0.172836  0.175842  0.655510  1
  P  P164  1  0.172620  0.175949  0.989090  1
  P  P165  1  0.506508  0.176026  0.321138  1
  P  P166  1  0.506551  0.176099  0.654399  1
  P  P167  1  0.506729  0.176015  0.987722  1
  P  P168  1  0.840138  0.176539  0.320341  1
  P  P169  1  0.840227  0.175678  0.653779  1
  P  P170  1  0.840269  0.175962  0.987415  1
  P  P171  1  0.069471  0.675736  0.198812  1
  P  P172  1  0.071701  0.675572  0.527589  1
  P  P173  1  0.071629  0.676512  0.863719  1
  P  P174  1  0.404832  0.676847  0.198375  1
  P  P175  1  0.403764  0.676888  0.531323  1
  P  P176  1  0.404537  0.676889  0.864911  1
  P  P177  1  0.738250  0.677106  0.196329  1
  P  P178  1  0.738327  0.677056  0.529825  1
  P  P179  1  0.738485  0.676924  0.863237  1
  P  P180  1  0.003167  0.159752  0.093798  1
  P  P181  1  0.002885  0.160209  0.426921  1
  P  P182  1  0.003100  0.159358  0.760407  1
  P  P183  1  0.336133  0.158604  0.095681  1
  P  P184  1  0.336110  0.158730  0.428900  1
  P  P185  1  0.336011  0.159111  0.762281  1
  P  P186  1  0.669763  0.159249  0.094295  1
  P  P187  1  0.669622  0.159225  0.427673  1
  P  P188  1  0.669619  0.159147  0.760950  1
  P  P189  1  0.245726  0.659664  0.087171  1
  P  P190  1  0.242706  0.659477  0.420212  1
  P  P191  1  0.245167  0.659929  0.754094  1
  P  P192  1  0.578705  0.659647  0.085473  1
  P  P193  1  0.578433  0.659696  0.418764  1
  P  P194  1  0.578715  0.659676  0.752139  1
  P  P195  1  0.910836  0.659911  0.085013  1
  P  P196  1  0.910461  0.659598  0.419284  1
  P  P197  1  0.912008  0.659674  0.752212  1
  P  P198  1  0.245212  0.341190  0.254061  1
  P  P199  1  0.244720  0.341174  0.587171  1
  P  P200  1  0.245322  0.340982  0.920693  1
  P  P201  1  0.578729  0.341418  0.252169  1
  P  P202  1  0.578723  0.341340  0.585567  1
  P  P203  1  0.578789  0.341335  0.918901  1
  P  P204  1  0.912404  0.342338  0.252494  1
  P  P205  1  0.911844  0.341316  0.585433  1
  P  P206  1  0.911813  0.341572  0.919354  1
  P  P207  1  0.002731  0.844128  0.260292  1
  P  P208  1  0.003513  0.841163  0.592929  1
  P  P209  1  0.003089  0.841552  0.927208  1
  P  P210  1  0.335719  0.841689  0.262393  1
  P  P211  1  0.335617  0.841759  0.595527  1
  P  P212  1  0.336039  0.841927  0.929051  1
  P  P213  1  0.669348  0.842063  0.260897  1
  P  P214  1  0.669429  0.841890  0.594247  1
  P  P215  1  0.669523  0.841918  0.927551  1
  P  P216  1  0.072205  0.677274  0.034152  1
  P  P217  1  0.069492  0.675302  0.362097  1
  P  P218  1  0.072022  0.677590  0.698380  1
  P  P219  1  0.405209  0.678001  0.033838  1
  P  P220  1  0.404431  0.678018  0.367266  1
  P  P221  1  0.404961  0.678089  0.700525  1
  P  P222  1  0.737962  0.678207  0.031908  1
  P  P223  1  0.737873  0.678409  0.365191  1
  P  P224  1  0.738404  0.678030  0.698681  1
  P  P225  1  0.176045  0.177719  0.153026  1
  P  P226  1  0.175763  0.177955  0.486310  1
  P  P227  1  0.175928  0.177869  0.819773  1
  P  P228  1  0.509536  0.178085  0.151834  1
  P  P229  1  0.509449  0.178122  0.485209  1
  P  P230  1  0.509486  0.178134  0.818496  1
  P  P231  1  0.842952  0.178590  0.151335  1
  P  P232  1  0.843141  0.178250  0.484449  1
  P  P233  1  0.842888  0.178147  0.818078  1
  P  P234  1  0.174783  0.822240  0.320091  1
  P  P235  1  0.176029  0.823147  0.652986  1
  P  P236  1  0.175755  0.822752  0.986621  1
  P  P237  1  0.509359  0.822699  0.318458  1
  P  P238  1  0.509181  0.822901  0.651735  1
  P  P239  1  0.509541  0.822853  0.985113  1
  P  P240  1  0.842460  0.823463  0.317803  1
  P  P241  1  0.842840  0.823027  0.651162  1
  P  P242  1  0.842749  0.823134  0.984641  1
  P  P243  1  0.072402  0.323498  0.199313  1
  P  P244  1  0.070997  0.324065  0.531091  1
  P  P245  1  0.071982  0.323514  0.866081  1
  P  P246  1  0.405215  0.322539  0.200582  1
  P  P247  1  0.405061  0.322885  0.533837  1
  P  P248  1  0.405059  0.322833  0.867152  1
  P  P249  1  0.738821  0.323261  0.199000  1
  P  P250  1  0.738340  0.323035  0.532104  1
  P  P251  1  0.738428  0.323106  0.865377  1
  P  P252  1  0.314858  0.499349  0.020803  1
  P  P253  1  0.314152  0.499896  0.354188  1
  P  P254  1  0.314495  0.499543  0.687411  1
  P  P255  1  0.648478  0.499485  0.018604  1
  P  P256  1  0.648438  0.499658  0.351817  1
  P  P257  1  0.648318  0.499551  0.685186  1
  P  P258  1  0.981450  0.500231  0.020394  1
  P  P259  1  0.983724  0.500950  0.352533  1
  P  P260  1  0.981492  0.499703  0.685622  1
  P  P261  1  0.265121  0.001217  0.164911  1
  P  P262  1  0.265213  0.001528  0.498113  1
  P  P263  1  0.265345  0.001695  0.831689  1
  P  P264  1  0.598749  0.001818  0.163626  1
  P  P265  1  0.598663  0.001720  0.496974  1
  P  P266  1  0.598855  0.001682  0.830288  1
  P  P267  1  0.932301  0.002278  0.162271  1
  P  P268  1  0.932922  0.001569  0.495765  1
  P  P269  1  0.932548  0.001858  0.829196  1
