# generated using pymatgen
data_Fe53P216
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.87742380
_cell_length_b   15.92442496
_cell_length_c   19.92255007
_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   5868.91771206
_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  0.034607  0.591046  0.273507  1
  Fe  Fe2  1  0.034202  0.590713  0.607066  1
  Fe  Fe3  1  0.034795  0.590975  0.940681  1
  Fe  Fe4  1  0.365842  0.591648  0.278223  1
  Fe  Fe5  1  0.366911  0.589867  0.613385  1
  Fe  Fe6  1  0.366502  0.590106  0.946834  1
  Fe  Fe7  1  0.699532  0.590480  0.282279  1
  Fe  Fe8  1  0.699970  0.590345  0.615693  1
  Fe  Fe9  1  0.699914  0.590383  0.949082  1
  Fe  Fe10  1  0.218387  0.096079  0.242874  1
  Fe  Fe11  1  0.218576  0.096291  0.576141  1
  Fe  Fe12  1  0.218391  0.096994  0.909344  1
  Fe  Fe13  1  0.550389  0.096742  0.249245  1
  Fe  Fe14  1  0.550378  0.096925  0.582400  1
  Fe  Fe15  1  0.550171  0.096787  0.916019  1
  Fe  Fe16  1  0.885166  0.096589  0.242327  1
  Fe  Fe17  1  0.884947  0.096703  0.575743  1
  Fe  Fe18  1  0.884851  0.096878  0.909000  1
  Fe  Fe19  1  0.214571  0.908998  0.071293  1
  Fe  Fe20  1  0.218553  0.903828  0.409451  1
  Fe  Fe21  1  0.218565  0.904182  0.743191  1
  Fe  Fe22  1  0.550766  0.903284  0.082199  1
  Fe  Fe23  1  0.550160  0.903316  0.415430  1
  Fe  Fe24  1  0.550442  0.903546  0.748965  1
  Fe  Fe25  1  0.886184  0.903444  0.075881  1
  Fe  Fe26  1  0.884934  0.903648  0.409066  1
  Fe  Fe27  1  0.884807  0.903779  0.742409  1
  Fe  Fe28  1  0.034238  0.409924  0.107051  1
  Fe  Fe29  1  0.034266  0.409625  0.440293  1
  Fe  Fe30  1  0.034318  0.409716  0.773783  1
  Fe  Fe31  1  0.367011  0.410398  0.112799  1
  Fe  Fe32  1  0.367001  0.410409  0.446409  1
  Fe  Fe33  1  0.366702  0.411011  0.779813  1
  Fe  Fe34  1  0.699953  0.410101  0.115779  1
  Fe  Fe35  1  0.699825  0.409936  0.448943  1
  Fe  Fe36  1  0.699806  0.409942  0.782376  1
  Fe  Fe37  1  0.288207  0.757265  0.501313  1
  Fe  Fe38  1  0.287882  0.757099  0.836139  1
  Fe  Fe39  1  0.619342  0.757066  0.172794  1
  Fe  Fe40  1  0.619594  0.757050  0.506104  1
  Fe  Fe41  1  0.620123  0.756983  0.839546  1
  Fe  Fe42  1  0.955997  0.756600  0.165246  1
  Fe  Fe43  1  0.955974  0.756688  0.499015  1
  Fe  Fe44  1  0.955583  0.756691  0.831709  1
  Fe  Fe45  1  0.288523  0.243692  0.001364  1
  Fe  Fe46  1  0.288205  0.243014  0.335006  1
  Fe  Fe47  1  0.288099  0.243353  0.668331  1
  Fe  Fe48  1  0.619437  0.243305  0.006624  1
  Fe  Fe49  1  0.619730  0.243406  0.339798  1
  Fe  Fe50  1  0.619652  0.243526  0.673171  1
  Fe  Fe51  1  0.955611  0.244141  -0.001159  1
  Fe  Fe52  1  0.956172  0.243595  0.332186  1
  Fe  Fe53  1  0.956030  0.243764  0.665599  1
  P  P54  1  0.139262  0.499147  0.295269  1
  P  P55  1  0.139073  0.499262  0.628623  1
  P  P56  1  0.139169  0.498947  0.961856  1
  P  P57  1  0.471588  0.499300  0.300857  1
  P  P58  1  0.471966  0.499126  0.634470  1
  P  P59  1  0.471805  0.499459  0.967738  1
  P  P60  1  0.805255  0.499326  0.302135  1
  P  P61  1  0.805344  0.499140  0.635491  1
  P  P62  1  0.805399  0.499227  0.968848  1
  P  P63  1  0.111410  0.999652  0.214227  1
  P  P64  1  0.110835  0.000983  0.547717  1
  P  P65  1  0.110875  0.001059  0.881402  1
  P  P66  1  0.443280  0.000638  0.221232  1
  P  P67  1  0.443349  0.000900  0.554025  1
  P  P68  1  0.443205  0.000673  0.887516  1
  P  P69  1  0.777040  0.001169  0.215158  1
  P  P70  1  0.776939  0.001311  0.548506  1
  P  P71  1  0.776898  0.001446  0.881811  1
  P  P72  1  0.109806  0.001504  0.047348  1
  P  P73  1  0.110848  0.999317  0.381004  1
  P  P74  1  0.110773  0.999468  0.714497  1
  P  P75  1  0.442653  0.997828  0.054268  1
  P  P76  1  0.443286  0.999506  0.387509  1
  P  P77  1  0.443273  0.999360  0.720665  1
  P  P78  1  0.777317  0.998933  0.048656  1
  P  P79  1  0.776951  0.999164  0.381870  1
  P  P80  1  0.776979  0.999307  0.715188  1
  P  P81  1  0.139295  0.501157  0.128370  1
  P  P82  1  0.139181  0.500980  0.462010  1
  P  P83  1  0.139150  0.501207  0.795287  1
  P  P84  1  0.471787  0.501806  0.134360  1
  P  P85  1  0.472164  0.501220  0.467876  1
  P  P86  1  0.471822  0.501784  0.801065  1
  P  P87  1  0.805403  0.501444  0.135537  1
  P  P88  1  0.805273  0.501164  0.468768  1
  P  P89  1  0.805335  0.501122  0.802177  1
  P  P90  1  0.313769  0.498804  0.188416  1
  P  P91  1  0.314182  0.500656  0.521333  1
  P  P92  1  0.313963  0.501038  0.855109  1
  P  P93  1  0.647851  0.501235  0.190022  1
  P  P94  1  0.648021  0.501161  0.523331  1
  P  P95  1  0.647898  0.501135  0.856698  1
  P  P96  1  0.982582  0.502000  0.180760  1
  P  P97  1  0.982260  0.501543  0.514086  1
  P  P98  1  0.982344  0.501609  0.847541  1
  P  P99  1  0.267476  0.997871  0.327478  1
  P  P100  1  0.266887  0.998515  0.661100  1
  P  P101  1  0.267278  0.999427  0.993832  1
  P  P102  1  0.598471  0.999310  0.335928  1
  P  P103  1  0.598476  0.999417  0.669170  1
  P  P104  1  0.598522  0.999353  0.002659  1
  P  P105  1  0.932613  0.999147  0.328533  1
  P  P106  1  0.932684  0.999146  0.661790  1
  P  P107  1  0.932569  0.999267  0.995152  1
  P  P108  1  0.006567  0.155573  0.258322  1
  P  P109  1  0.006201  0.155956  0.591600  1
  P  P110  1  0.006093  0.156196  0.924989  1
  P  P111  1  0.338745  0.157352  0.259117  1
  P  P112  1  0.338737  0.157270  0.592488  1
  P  P113  1  0.338784  0.157970  0.925339  1
  P  P114  1  0.671622  0.155250  0.265980  1
  P  P115  1  0.671578  0.155383  0.599324  1
  P  P116  1  0.671390  0.155344  0.932716  1
  P  P117  1  0.245654  0.658510  0.255686  1
  P  P118  1  0.245629  0.660262  0.587285  1
  P  P119  1  0.245190  0.660345  0.921920  1
  P  P120  1  0.577373  0.659478  0.256825  1
  P  P121  1  0.577815  0.659198  0.590180  1
  P  P122  1  0.577974  0.659280  0.923542  1
  P  P123  1  0.912432  0.658665  0.248502  1
  P  P124  1  0.912309  0.658626  0.581983  1
  P  P125  1  0.912784  0.658701  0.915454  1
  P  P126  1  0.245576  0.340024  0.087025  1
  P  P127  1  0.245711  0.340081  0.420574  1
  P  P128  1  0.245618  0.340287  0.753959  1
  P  P129  1  0.577665  0.341158  0.090587  1
  P  P130  1  0.577716  0.341128  0.423779  1
  P  P131  1  0.577597  0.341234  0.757156  1
  P  P132  1  0.912087  0.342309  0.081891  1
  P  P133  1  0.912415  0.341778  0.415176  1
  P  P134  1  0.912401  0.341834  0.748632  1
  P  P135  1  0.008486  0.844801  0.092321  1
  P  P136  1  0.006179  0.844401  0.425016  1
  P  P137  1  0.006131  0.844547  0.758357  1
  P  P138  1  0.334500  0.842100  0.093488  1
  P  P139  1  0.338574  0.842326  0.424572  1
  P  P140  1  0.338702  0.843160  0.759855  1
  P  P141  1  0.671772  0.844932  0.099246  1
  P  P142  1  0.671409  0.844947  0.432320  1
  P  P143  1  0.671642  0.845140  0.765749  1
  P  P144  1  0.072661  0.323948  0.026835  1
  P  P145  1  0.073066  0.323641  0.360113  1
  P  P146  1  0.072916  0.323841  0.693448  1
  P  P147  1  0.404725  0.326091  0.030358  1
  P  P148  1  0.404712  0.325192  0.363951  1
  P  P149  1  0.404597  0.325463  0.697350  1
  P  P150  1  0.737440  0.323105  0.034401  1
  P  P151  1  0.737608  0.323142  0.367661  1
  P  P152  1  0.737580  0.323115  0.701070  1
  P  P153  1  0.178211  0.825820  0.152066  1
  P  P154  1  0.173997  0.825850  0.487049  1
  P  P155  1  0.173938  0.825956  0.820110  1
  P  P156  1  0.504393  0.824678  0.157585  1
  P  P157  1  0.505162  0.824899  0.491939  1
  P  P158  1  0.505611  0.824755  0.825134  1
  P  P159  1  0.841147  0.824162  0.152061  1
  P  P160  1  0.840799  0.824147  0.485554  1
  P  P161  1  0.840646  0.824205  0.818899  1
  P  P162  1  0.174143  0.173953  0.320473  1
  P  P163  1  0.173960  0.174515  0.653571  1
  P  P164  1  0.174098  0.175334  0.986727  1
  P  P165  1  0.505392  0.175407  0.325505  1
  P  P166  1  0.505335  0.175497  0.658840  1
  P  P167  1  0.505061  0.175080  0.992494  1
  P  P168  1  0.840966  0.176285  0.318780  1
  P  P169  1  0.840889  0.176357  0.652165  1
  P  P170  1  0.840672  0.176389  0.985493  1
  P  P171  1  0.073546  0.677717  0.193760  1
  P  P172  1  0.072894  0.676575  0.526877  1
  P  P173  1  0.072752  0.676710  0.859931  1
  P  P174  1  0.404680  0.673777  0.198719  1
  P  P175  1  0.404700  0.675248  0.531255  1
  P  P176  1  0.404515  0.675533  0.864585  1
  P  P177  1  0.737513  0.677433  0.201050  1
  P  P178  1  0.737583  0.677292  0.534261  1
  P  P179  1  0.737847  0.677124  0.867629  1
  P  P180  1  0.002928  0.159680  0.092009  1
  P  P181  1  0.003498  0.159039  0.425248  1
  P  P182  1  0.003388  0.159144  0.758607  1
  P  P183  1  0.337433  0.159807  0.092795  1
  P  P184  1  0.337156  0.159228  0.426479  1
  P  P185  1  0.337115  0.159421  0.759669  1
  P  P186  1  0.669066  0.158396  0.099424  1
  P  P187  1  0.669038  0.158464  0.432685  1
  P  P188  1  0.668887  0.158496  0.766049  1
  P  P189  1  0.246938  0.661347  0.089360  1
  P  P190  1  0.244878  0.659632  0.420282  1
  P  P191  1  0.244973  0.659951  0.754053  1
  P  P192  1  0.578959  0.659780  0.090088  1
  P  P193  1  0.578777  0.659903  0.423406  1
  P  P194  1  0.578704  0.659809  0.756758  1
  P  P195  1  0.913583  0.659463  0.081954  1
  P  P196  1  0.912519  0.659078  0.415323  1
  P  P197  1  0.912372  0.659032  0.748620  1
  P  P198  1  0.244674  0.340039  0.253582  1
  P  P199  1  0.244931  0.340617  0.586760  1
  P  P200  1  0.245107  0.341167  0.920096  1
  P  P201  1  0.578591  0.340536  0.257045  1
  P  P202  1  0.578606  0.340611  0.590351  1
  P  P203  1  0.578452  0.340492  0.923835  1
  P  P204  1  0.912687  0.341342  0.248627  1
  P  P205  1  0.912570  0.341383  0.581988  1
  P  P206  1  0.912398  0.341545  0.915287  1
  P  P207  1  0.002792  0.841227  0.258872  1
  P  P208  1  0.003493  0.841315  0.592003  1
  P  P209  1  0.002617  0.841081  0.925375  1
  P  P210  1  0.335864  0.839294  0.259004  1
  P  P211  1  0.337113  0.841107  0.593052  1
  P  P212  1  0.336853  0.841126  0.927745  1
  P  P213  1  0.668293  0.841782  0.265788  1
  P  P214  1  0.668909  0.841936  0.599095  1
  P  P215  1  0.669380  0.841943  0.932554  1
  P  P216  1  0.074197  0.676763  0.029374  1
  P  P217  1  0.071997  0.677034  0.362394  1
  P  P218  1  0.072030  0.677340  0.695490  1
  P  P219  1  0.406380  0.677423  0.033491  1
  P  P220  1  0.406293  0.675940  0.367642  1
  P  P221  1  0.405634  0.677061  0.700502  1
  P  P222  1  0.738659  0.678211  0.036421  1
  P  P223  1  0.738114  0.678219  0.369647  1
  P  P224  1  0.738133  0.678362  0.702940  1
  P  P225  1  0.175933  0.177464  0.151049  1
  P  P226  1  0.176300  0.177200  0.484336  1
  P  P227  1  0.176180  0.177474  0.817457  1
  P  P228  1  0.509328  0.176945  0.156284  1
  P  P229  1  0.509311  0.177263  0.489531  1
  P  P230  1  0.509166  0.177161  0.823031  1
  P  P231  1  0.843406  0.178091  0.149810  1
  P  P232  1  0.843384  0.178153  0.483081  1
  P  P233  1  0.843259  0.178249  0.816401  1
  P  P234  1  0.175215  0.823292  0.317665  1
  P  P235  1  0.176440  0.823149  0.651165  1
  P  P236  1  0.174707  0.823912  0.982280  1
  P  P237  1  0.508060  0.823368  0.322465  1
  P  P238  1  0.509305  0.823066  0.656026  1
  P  P239  1  0.509738  0.823123  0.988905  1
  P  P240  1  0.842912  0.822296  0.316447  1
  P  P241  1  0.843227  0.822371  0.649749  1
  P  P242  1  0.843708  0.822347  0.983361  1
  P  P243  1  0.071819  0.323307  0.195540  1
  P  P244  1  0.072003  0.323093  0.528823  1
  P  P245  1  0.072055  0.323174  0.862241  1
  P  P246  1  0.405965  0.323268  0.199905  1
  P  P247  1  0.405822  0.323435  0.533449  1
  P  P248  1  0.405922  0.323860  0.866534  1
  P  P249  1  0.738207  0.322127  0.203076  1
  P  P250  1  0.738145  0.322049  0.536368  1
  P  P251  1  0.737986  0.322035  0.869771  1
  P  P252  1  0.313484  0.501024  0.022285  1
  P  P253  1  0.314349  0.499583  0.354631  1
  P  P254  1  0.313854  0.499887  0.688079  1
  P  P255  1  0.647944  0.499159  0.023341  1
  P  P256  1  0.647716  0.499203  0.356596  1
  P  P257  1  0.647959  0.499198  0.690020  1
  P  P258  1  0.982430  0.499105  0.014095  1
  P  P259  1  0.982365  0.498840  0.347335  1
  P  P260  1  0.982285  0.498923  0.680870  1
  P  P261  1  0.267052  0.002953  0.160634  1
  P  P262  1  0.267009  0.001653  0.494174  1
  P  P263  1  0.266866  0.001983  0.827786  1
  P  P264  1  0.598214  0.000851  0.169130  1
  P  P265  1  0.598441  0.001001  0.502440  1
  P  P266  1  0.598357  0.000991  0.835937  1
  P  P267  1  0.933101  0.001164  0.161810  1
  P  P268  1  0.932700  0.001242  0.495150  1
  P  P269  1  0.932712  0.001347  0.828497  1
