# generated using pymatgen
data_Fe255P64
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.75176722
_cell_length_b   16.81922720
_cell_length_c   16.81983500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe255P64
_chemical_formula_sum   'Fe255 P64'
_cell_volume   4739.01843048
_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  0.006382  0.117334  0.505776  1
  Fe  Fe2  1  0.011988  0.139647  0.671350  1
  Fe  Fe3  1  0.008544  0.128252  0.807849  1
  Fe  Fe4  1  0.018449  0.444178  0.142713  1
  Fe  Fe5  1  0.004759  0.386587  0.461645  1
  Fe  Fe6  1  1.002553  0.411051  0.634409  1
  Fe  Fe7  1  0.006422  0.400158  0.857901  1
  Fe  Fe8  1  0.025995  0.577016  0.091944  1
  Fe  Fe9  1  0.011101  0.634333  0.427985  1
  Fe  Fe10  1  0.009224  0.651670  0.655246  1
  Fe  Fe11  1  0.009394  0.626956  0.821804  1
  Fe  Fe12  1  0.994047  0.761096  0.127895  1
  Fe  Fe13  1  0.003848  0.849330  0.395968  1
  Fe  Fe14  1  0.010667  0.817468  0.630719  1
  Fe  Fe15  1  0.005817  0.854243  0.854705  1
  Fe  Fe16  1  0.224594  0.114020  0.117063  1
  Fe  Fe17  1  0.234882  0.170653  0.361449  1
  Fe  Fe18  1  0.261339  0.143987  0.665755  1
  Fe  Fe19  1  0.243686  0.080169  0.895084  1
  Fe  Fe20  1  0.265605  0.323088  0.077120  1
  Fe  Fe21  1  0.242314  0.447354  0.407783  1
  Fe  Fe22  1  0.253838  0.393350  0.638319  1
  Fe  Fe23  1  0.254475  0.396940  0.810236  1
  Fe  Fe24  1  0.280938  0.581152  0.146896  1
  Fe  Fe25  1  0.258740  0.633004  0.392609  1
  Fe  Fe26  1  0.253970  0.628112  0.631138  1
  Fe  Fe27  1  0.252187  0.561917  0.867717  1
  Fe  Fe28  1  0.219433  0.885354  0.071945  1
  Fe  Fe29  1  0.240128  0.815553  0.432745  1
  Fe  Fe30  1  0.254683  0.873053  0.685583  1
  Fe  Fe31  1  0.247122  0.810765  0.845711  1
  Fe  Fe32  1  0.509941  0.140604  0.118268  1
  Fe  Fe33  1  0.523055  0.116397  0.343416  1
  Fe  Fe34  1  0.508129  0.176831  0.614082  1
  Fe  Fe35  1  0.500922  0.136841  0.855953  1
  Fe  Fe36  1  0.504263  0.355680  0.130963  1
  Fe  Fe37  1  0.506469  0.391821  0.401727  1
  Fe  Fe38  1  0.493619  0.459902  0.606969  1
  Fe  Fe39  1  0.504722  0.391473  0.866395  1
  Fe  Fe40  1  0.455956  0.628543  0.126022  1
  Fe  Fe41  1  0.514483  0.662298  0.402236  1
  Fe  Fe42  1  0.496288  0.602759  0.689891  1
  Fe  Fe43  1  0.500815  0.616093  0.849899  1
  Fe  Fe44  1  0.493407  0.874628  0.123469  1
  Fe  Fe45  1  0.481645  0.838520  0.389774  1
  Fe  Fe46  1  0.496621  0.841661  0.624950  1
  Fe  Fe47  1  0.502927  0.890457  0.854420  1
  Fe  Fe48  1  0.749388  0.130450  0.144499  1
  Fe  Fe49  1  0.766636  0.192442  0.385645  1
  Fe  Fe50  1  0.753592  0.137053  0.667660  1
  Fe  Fe51  1  0.774218  0.075122  0.894350  1
  Fe  Fe52  1  0.780115  0.431225  0.095990  1
  Fe  Fe53  1  0.768960  0.442846  0.410014  1
  Fe  Fe54  1  0.751818  0.390940  0.631018  1
  Fe  Fe55  1  0.765539  0.445700  0.874028  1
  Fe  Fe56  1  0.764014  0.593633  0.111128  1
  Fe  Fe57  1  0.774486  0.579174  0.373193  1
  Fe  Fe58  1  0.757584  0.630361  0.638726  1
  Fe  Fe59  1  0.768308  0.614483  0.860452  1
  Fe  Fe60  1  0.759939  0.856149  0.070507  1
  Fe  Fe61  1  0.737657  0.852222  0.419117  1
  Fe  Fe62  1  0.755257  0.870485  0.668007  1
  Fe  Fe63  1  0.765463  0.856905  0.818844  1
  Fe  Fe64  1  0.143666  0.069736  0.007357  1
  Fe  Fe65  1  0.170472  0.107056  0.246140  1
  Fe  Fe66  1  0.178865  0.093681  0.488523  1
  Fe  Fe67  1  0.148681  0.143617  0.759236  1
  Fe  Fe68  1  0.088759  0.438185  0.012302  1
  Fe  Fe69  1  0.093687  0.419932  0.265382  1
  Fe  Fe70  1  0.136459  0.394491  0.522141  1
  Fe  Fe71  1  0.118936  0.390359  0.760308  1
  Fe  Fe72  1  0.179537  0.555095  0.011531  1
  Fe  Fe73  1  0.181847  0.684345  0.250610  1
  Fe  Fe74  1  0.157933  0.685158  0.491852  1
  Fe  Fe75  1  0.136281  0.622316  0.747518  1
  Fe  Fe76  1  0.080436  0.827628  0.003367  1
  Fe  Fe77  1  0.078177  0.825239  0.253277  1
  Fe  Fe78  1  0.115321  0.849355  0.495425  1
  Fe  Fe79  1  0.119689  0.857742  0.749227  1
  Fe  Fe80  1  0.416583  0.119001  0.990045  1
  Fe  Fe81  1  0.419323  0.122951  0.235975  1
  Fe  Fe82  1  0.444402  0.107411  0.473922  1
  Fe  Fe83  1  0.421748  0.134858  0.737450  1
  Fe  Fe84  1  0.403400  0.389565  0.018914  1
  Fe  Fe85  1  0.457579  0.385436  0.266318  1
  Fe  Fe86  1  0.365709  0.453298  0.492554  1
  Fe  Fe87  1  0.397998  0.403442  0.736740  1
  Fe  Fe88  1  0.341724  0.551112  0.013847  1
  Fe  Fe89  1  0.327582  0.684379  0.238580  1
  Fe  Fe90  1  0.370412  0.600464  0.479221  1
  Fe  Fe91  1  0.362786  0.638781  0.749435  1
  Fe  Fe92  1  0.444253  0.890691  0.987287  1
  Fe  Fe93  1  0.406585  0.901819  0.238987  1
  Fe  Fe94  1  0.371418  0.856460  0.500241  1
  Fe  Fe95  1  0.391262  0.882275  0.754651  1
  Fe  Fe96  1  0.570631  0.137365  0.976995  1
  Fe  Fe97  1  0.622017  0.125413  0.229809  1
  Fe  Fe98  1  0.581615  0.097064  0.478478  1
  Fe  Fe99  1  0.595053  0.146819  0.742479  1
  Fe  Fe100  1  0.560434  0.388504  0.997464  1
  Fe  Fe101  1  0.603789  0.416329  0.251104  1
  Fe  Fe102  1  0.642998  0.448366  0.509922  1
  Fe  Fe103  1  0.649251  0.382030  0.763718  1
  Fe  Fe104  1  0.555927  0.630406  0.005138  1
  Fe  Fe105  1  0.658662  0.575179  0.247738  1
  Fe  Fe106  1  0.693572  0.608654  0.499384  1
  Fe  Fe107  1  0.632766  0.634012  0.758991  1
  Fe  Fe108  1  0.584008  0.842491  0.999297  1
  Fe  Fe109  1  0.553958  0.875058  0.255801  1
  Fe  Fe110  1  0.599802  0.828082  0.495515  1
  Fe  Fe111  1  0.604987  0.873627  0.750462  1
  Fe  Fe112  1  0.858483  0.103406  0.038481  1
  Fe  Fe113  1  0.778292  0.091593  0.275963  1
  Fe  Fe114  1  0.833932  0.111145  0.501090  1
  Fe  Fe115  1  0.864139  0.126330  0.760773  1
  Fe  Fe116  1  0.938948  0.442686  0.014616  1
  Fe  Fe117  1  0.933090  0.429149  0.259337  1
  Fe  Fe118  1  0.872127  0.390295  0.523533  1
  Fe  Fe119  1  0.876997  0.386272  0.769824  1
  Fe  Fe120  1  0.831020  0.699859  0.010949  1
  Fe  Fe121  1  0.823586  0.622269  0.238273  1
  Fe  Fe122  1  0.856585  0.649821  0.487369  1
  Fe  Fe123  1  0.880382  0.624443  0.752796  1
  Fe  Fe124  1  0.919061  0.821845  0.006036  1
  Fe  Fe125  1  0.915465  0.820782  0.262373  1
  Fe  Fe126  1  0.886896  0.853053  0.504346  1
  Fe  Fe127  1  0.895217  0.854065  0.756559  1
  Fe  Fe128  1  0.154527  0.996957  0.141701  1
  Fe  Fe129  1  0.077426  0.995367  0.427082  1
  Fe  Fe130  1  0.179908  0.010573  0.698481  1
  Fe  Fe131  1  0.095475  0.008268  0.831180  1
  Fe  Fe132  1  0.150053  0.228434  0.095928  1
  Fe  Fe133  1  0.086997  0.241714  0.444496  1
  Fe  Fe134  1  0.185067  0.241235  0.564526  1
  Fe  Fe135  1  0.085350  0.258785  0.840064  1
  Fe  Fe136  1  0.149763  0.508428  0.153968  1
  Fe  Fe137  1  0.091877  0.496141  0.409254  1
  Fe  Fe138  1  0.133171  0.486352  0.651731  1
  Fe  Fe139  1  0.126133  0.496180  0.856657  1
  Fe  Fe140  1  0.159869  0.775733  0.142232  1
  Fe  Fe141  1  0.121628  0.757830  0.375286  1
  Fe  Fe142  1  0.140400  0.751774  0.625600  1
  Fe  Fe143  1  0.112824  0.749867  0.851584  1
  Fe  Fe144  1  0.435496  0.009116  0.101892  1
  Fe  Fe145  1  0.452405  0.989056  0.352968  1
  Fe  Fe146  1  0.330000  0.016849  0.704291  1
  Fe  Fe147  1  0.381667  0.015479  0.863251  1
  Fe  Fe148  1  0.404983  0.247714  0.113335  1
  Fe  Fe149  1  0.446401  0.241511  0.346967  1
  Fe  Fe150  1  0.368705  0.259750  0.678455  1
  Fe  Fe151  1  0.431290  0.264936  0.828974  1
  Fe  Fe152  1  0.415770  0.490248  0.140600  1
  Fe  Fe153  1  0.371316  0.497909  0.354282  1
  Fe  Fe154  1  0.356648  0.514833  0.631017  1
  Fe  Fe155  1  0.386044  0.499584  0.854677  1
  Fe  Fe156  1  0.392227  0.780843  0.158768  1
  Fe  Fe157  1  0.362744  0.744732  0.388881  1
  Fe  Fe158  1  0.362542  0.776046  0.652586  1
  Fe  Fe159  1  0.418161  0.759978  0.865502  1
  Fe  Fe160  1  0.573707  0.982016  0.064100  1
  Fe  Fe161  1  0.591905  0.952576  0.381275  1
  Fe  Fe162  1  0.653351  0.008455  0.702407  1
  Fe  Fe163  1  0.624973  0.018707  0.852751  1
  Fe  Fe164  1  0.628372  0.248768  0.096873  1
  Fe  Fe165  1  0.618131  0.229509  0.365473  1
  Fe  Fe166  1  0.666389  0.254025  0.643578  1
  Fe  Fe167  1  0.572097  0.265346  0.869544  1
  Fe  Fe168  1  0.557479  0.511005  0.127895  1
  Fe  Fe169  1  0.617413  0.518903  0.379877  1
  Fe  Fe170  1  0.646123  0.512078  0.648610  1
  Fe  Fe171  1  0.619928  0.507367  0.879700  1
  Fe  Fe172  1  0.552345  0.743196  0.139625  1
  Fe  Fe173  1  0.611444  0.784322  0.354375  1
  Fe  Fe174  1  0.647939  0.767507  0.654526  1
  Fe  Fe175  1  0.564900  0.751386  0.877091  1
  Fe  Fe176  1  0.826229  1.001021  0.152980  1
  Fe  Fe177  1  0.930455  0.002187  0.436671  1
  Fe  Fe178  1  0.812052  0.007674  0.627117  1
  Fe  Fe179  1  0.929238  0.006485  0.830236  1
  Fe  Fe180  1  0.804795  0.255253  0.100864  1
  Fe  Fe181  1  0.919917  0.248962  0.445150  1
  Fe  Fe182  1  0.824326  0.242240  0.571142  1
  Fe  Fe183  1  0.925566  0.251759  0.838650  1
  Fe  Fe184  1  0.890486  0.511608  0.143825  1
  Fe  Fe185  1  0.922810  0.504495  0.414088  1
  Fe  Fe186  1  0.874047  0.485491  0.667549  1
  Fe  Fe187  1  0.896020  0.502750  0.849375  1
  Fe  Fe188  1  0.827397  0.751318  0.154950  1
  Fe  Fe189  1  0.873796  0.756673  0.390874  1
  Fe  Fe190  1  0.877646  0.749898  0.632338  1
  Fe  Fe191  1  0.879540  0.748338  0.861806  1
  Fe  Fe192  1  0.016034  0.956994  0.958920  1
  Fe  Fe193  1  1.001108  0.955672  0.301829  1
  Fe  Fe194  1  0.008888  0.940561  0.541641  1
  Fe  Fe195  1  0.015082  0.965551  0.717073  1
  Fe  Fe196  1  0.015154  0.308528  0.966292  1
  Fe  Fe197  1  0.005769  0.309878  0.319192  1
  Fe  Fe198  1  0.004430  0.279391  0.561485  1
  Fe  Fe199  1  0.007427  0.282288  0.726123  1
  Fe  Fe200  1  0.018495  0.544739  0.945750  1
  Fe  Fe201  1  0.023724  0.543515  0.271514  1
  Fe  Fe202  1  1.003519  0.515921  0.539124  1
  Fe  Fe203  1  0.009857  0.501643  0.753813  1
  Fe  Fe204  1  0.011044  0.711362  0.959066  1
  Fe  Fe205  1  0.010810  0.711247  0.292050  1
  Fe  Fe206  1  1.000732  0.754716  0.504627  1
  Fe  Fe207  1  0.005344  0.748447  0.752795  1
  Fe  Fe208  1  0.283042  0.020043  0.024461  1
  Fe  Fe209  1  0.291616  0.003177  0.186876  1
  Fe  Fe210  1  0.245054  0.945760  0.549897  1
  Fe  Fe211  1  0.249216  0.956589  0.811695  1
  Fe  Fe212  1  0.280807  0.193624  0.012725  1
  Fe  Fe213  1  0.279681  0.220075  0.199832  1
  Fe  Fe214  1  0.239363  0.295200  0.441908  1
  Fe  Fe215  1  0.223551  0.272322  0.728026  1
  Fe  Fe216  1  0.257651  0.442230  0.961577  1
  Fe  Fe217  1  0.215146  0.526550  0.285452  1
  Fe  Fe218  1  0.224965  0.523902  0.525151  1
  Fe  Fe219  1  0.254741  0.509884  0.735478  1
  Fe  Fe220  1  0.195025  0.729486  0.998920  1
  Fe  Fe221  1  0.253982  0.809004  0.271289  1
  Fe  Fe222  1  0.294789  0.728574  0.527567  1
  Fe  Fe223  1  0.234384  0.734633  0.734419  1
  Fe  Fe224  1  0.503190  0.012695  0.941798  1
  Fe  Fe225  1  0.517477  0.009498  0.224849  1
  Fe  Fe226  1  0.501231  0.957784  0.503245  1
  Fe  Fe227  1  0.500728  0.012333  0.769447  1
  Fe  Fe228  1  0.494824  0.257836  0.997281  1
  Fe  Fe229  1  0.536130  0.246963  0.231255  1
  Fe  Fe230  1  0.518726  0.236147  0.471889  1
  Fe  Fe231  1  0.526044  0.279161  0.728597  1
  Fe  Fe232  1  0.483809  0.511635  0.989482  1
  Fe  Fe233  1  0.502101  0.525233  0.283207  1
  Fe  Fe234  1  0.499467  0.517910  0.466179  1
  Fe  Fe235  1  0.525837  0.493322  0.768161  1
  Fe  Fe236  1  0.473068  0.746958  0.016427  1
  Fe  Fe237  1  0.479624  0.742557  0.264863  1
  Fe  Fe238  1  0.460394  0.746418  0.510998  1
  Fe  Fe239  1  0.500922  0.756174  0.747334  1
  Fe  Fe240  1  0.741797  0.014655  0.028912  1
  Fe  Fe241  1  0.680859  0.982968  0.176514  1
  Fe  Fe242  1  0.788108  0.971047  0.483265  1
  Fe  Fe243  1  0.777270  1.001225  0.768142  1
  Fe  Fe244  1  0.726016  0.180283  0.004243  1
  Fe  Fe245  1  0.710958  0.245868  0.234423  1
  Fe  Fe246  1  0.724216  0.297237  0.487379  1
  Fe  Fe247  1  0.782752  0.273685  0.733369  1
  Fe  Fe248  1  0.807209  0.529702  0.989548  1
  Fe  Fe249  1  0.769763  0.486851  0.243443  1
  Fe  Fe250  1  0.789291  0.511273  0.535428  1
  Fe  Fe251  1  0.751951  0.510571  0.751183  1
  Fe  Fe252  1  0.721248  0.758085  0.939231  1
  Fe  Fe253  1  0.751081  0.743148  0.285847  1
  Fe  Fe254  1  0.764477  0.764079  0.530216  1
  Fe  Fe255  1  0.774423  0.732805  0.748289  1
  P  P256  1  0.077115  0.109316  0.129740  1
  P  P257  1  0.101380  0.126054  0.374407  1
  P  P258  1  0.128511  0.113777  0.612834  1
  P  P259  1  0.118504  0.137218  0.892920  1
  P  P260  1  0.136021  0.368850  0.137259  1
  P  P261  1  0.123258  0.359545  0.382947  1
  P  P262  1  0.120599  0.332705  0.640524  1
  P  P263  1  0.144107  0.359666  0.907293  1
  P  P264  1  0.146788  0.644706  0.114825  1
  P  P265  1  0.121095  0.622696  0.352132  1
  P  P266  1  0.118617  0.606017  0.595772  1
  P  P267  1  0.132747  0.629519  0.903549  1
  P  P268  1  0.085922  0.885128  0.131261  1
  P  P269  1  0.143354  0.900394  0.347885  1
  P  P270  1  0.126860  0.905492  0.622277  1
  P  P271  1  0.135448  0.891874  0.886141  1
  P  P272  1  0.357431  0.118659  0.114290  1
  P  P273  1  0.368070  0.108665  0.365014  1
  P  P274  1  0.376254  0.124954  0.600002  1
  P  P275  1  0.348826  0.161781  0.872370  1
  P  P276  1  0.351897  0.369347  0.167667  1
  P  P277  1  0.357581  0.356933  0.374678  1
  P  P278  1  0.381225  0.366804  0.592670  1
  P  P279  1  0.360313  0.365359  0.882522  1
  P  P280  1  0.341565  0.694198  0.068949  1
  P  P281  1  0.402218  0.627516  0.332204  1
  P  P282  1  0.394881  0.650820  0.601232  1
  P  P283  1  0.363337  0.633895  0.886679  1
  P  P284  1  0.350701  0.905423  0.094324  1
  P  P285  1  0.344702  0.889127  0.361288  1
  P  P286  1  0.378701  0.927385  0.611663  1
  P  P287  1  0.351429  0.875230  0.887957  1
  P  P288  1  0.638257  0.098589  0.083575  1
  P  P289  1  0.662659  0.083596  0.369476  1
  P  P290  1  0.633652  0.113555  0.604853  1
  P  P291  1  0.661511  0.162094  0.871665  1
  P  P292  1  0.639426  0.401535  0.104020  1
  P  P293  1  0.650080  0.376744  0.387128  1
  P  P294  1  0.599097  0.375522  0.627170  1
  P  P295  1  0.661567  0.367746  0.903253  1
  P  P296  1  0.635220  0.633580  0.120678  1
  P  P297  1  0.658281  0.655204  0.368497  1
  P  P298  1  0.612668  0.639661  0.611901  1
  P  P299  1  0.642023  0.643356  0.901780  1
  P  P300  1  0.632536  0.853294  0.124781  1
  P  P301  1  0.694693  0.886120  0.293573  1
  P  P302  1  0.613562  0.909929  0.605808  1
  P  P303  1  0.648112  0.869403  0.882281  1
  P  P304  1  0.884563  0.140723  0.176433  1
  P  P305  1  0.894925  0.130517  0.377470  1
  P  P306  1  0.893432  0.117741  0.619133  1
  P  P307  1  0.905157  0.131905  0.905217  1
  P  P308  1  0.902596  0.359022  0.132250  1
  P  P309  1  0.893300  0.373227  0.379008  1
  P  P310  1  0.889974  0.332521  0.648245  1
  P  P311  1  0.882251  0.356007  0.913663  1
  P  P312  1  0.905449  0.643243  0.125642  1
  P  P313  1  0.910403  0.620824  0.344916  1
  P  P314  1  0.894000  0.602588  0.607597  1
  P  P315  1  0.899986  0.623128  0.913020  1
  P  P316  1  0.888339  0.878290  0.134134  1
  P  P317  1  0.871037  0.907339  0.366096  1
  P  P318  1  0.906497  0.906444  0.636197  1
  P  P319  1  0.886697  0.896006  0.900716  1
