# generated using pymatgen
data_Fe54P215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.87933020
_cell_length_b   15.91712132
_cell_length_c   19.93384144
_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   5870.14348651
_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  0.033409  0.589973  0.277107  1
  Fe  Fe2  1  0.033579  0.590681  0.609632  1
  Fe  Fe3  1  0.036389  0.592298  0.945498  1
  Fe  Fe4  1  0.368634  0.588978  0.281143  1
  Fe  Fe5  1  0.366500  0.590220  0.613556  1
  Fe  Fe6  1  0.367585  0.590331  0.945506  1
  Fe  Fe7  1  0.699120  0.591057  0.278781  1
  Fe  Fe8  1  0.699962  0.590837  0.612369  1
  Fe  Fe9  1  0.700017  0.591062  0.946011  1
  Fe  Fe10  1  0.217756  0.096066  0.244064  1
  Fe  Fe11  1  0.217683  0.096926  0.577798  1
  Fe  Fe12  1  0.218013  0.097691  0.910824  1
  Fe  Fe13  1  0.550505  0.096938  0.246063  1
  Fe  Fe14  1  0.550427  0.097242  0.579535  1
  Fe  Fe15  1  0.550779  0.097619  0.913262  1
  Fe  Fe16  1  0.884855  0.096228  0.242576  1
  Fe  Fe17  1  0.884487  0.097047  0.576354  1
  Fe  Fe18  1  0.884701  0.097009  0.909706  1
  Fe  Fe19  1  0.217155  0.905752  0.076805  1
  Fe  Fe20  1  0.217418  0.903757  0.410656  1
  Fe  Fe21  1  0.217629  0.904338  0.744619  1
  Fe  Fe22  1  0.550889  0.903728  0.079757  1
  Fe  Fe23  1  0.550222  0.903600  0.412470  1
  Fe  Fe24  1  0.550895  0.903922  0.746154  1
  Fe  Fe25  1  0.885739  0.903226  0.076035  1
  Fe  Fe26  1  0.884264  0.903838  0.409577  1
  Fe  Fe27  1  0.884651  0.904185  0.742854  1
  Fe  Fe28  1  0.034211  0.409861  0.109826  1
  Fe  Fe29  1  0.033875  0.410119  0.442989  1
  Fe  Fe30  1  0.033470  0.410514  0.776473  1
  Fe  Fe31  1  0.366704  0.411275  0.112714  1
  Fe  Fe32  1  0.366526  0.410670  0.446569  1
  Fe  Fe33  1  0.366093  0.412119  0.781187  1
  Fe  Fe34  1  0.700271  0.410175  0.112368  1
  Fe  Fe35  1  0.700005  0.410036  0.445708  1
  Fe  Fe36  1  0.700326  0.410417  0.779152  1
  Fe  Fe37  1  0.285693  0.754410  0.163289  1
  Fe  Fe38  1  0.287324  0.757110  0.502352  1
  Fe  Fe39  1  0.287102  0.756981  0.838440  1
  Fe  Fe40  1  0.620218  0.757053  0.170393  1
  Fe  Fe41  1  0.620332  0.757065  0.503198  1
  Fe  Fe42  1  0.621177  0.756968  0.836799  1
  Fe  Fe43  1  0.955384  0.756631  0.166147  1
  Fe  Fe44  1  0.954759  0.757050  0.500394  1
  Fe  Fe45  1  0.955720  0.757769  0.832098  1
  Fe  Fe46  1  0.287829  0.243656  0.002335  1
  Fe  Fe47  1  0.287385  0.243307  0.335818  1
  Fe  Fe48  1  0.287458  0.243847  0.669424  1
  Fe  Fe49  1  0.621004  0.244061  0.003415  1
  Fe  Fe50  1  0.620663  0.243639  0.336635  1
  Fe  Fe51  1  0.620545  0.243900  0.669903  1
  Fe  Fe52  1  0.955047  0.243735  0.000449  1
  Fe  Fe53  1  0.955266  0.243358  0.333623  1
  Fe  Fe54  1  0.955112  0.244079  0.667105  1
  P  P55  1  0.138886  0.499455  0.297712  1
  P  P56  1  0.138596  0.499478  0.630699  1
  P  P57  1  0.138244  0.495880  0.962435  1
  P  P58  1  0.472213  0.498433  0.300891  1
  P  P59  1  0.471578  0.499498  0.634295  1
  P  P60  1  0.471646  0.499433  0.967821  1
  P  P61  1  0.804990  0.499500  0.299699  1
  P  P62  1  0.805141  0.499456  0.633011  1
  P  P63  1  0.806225  0.500320  0.966531  1
  P  P64  1  0.110833  0.999895  0.215653  1
  P  P65  1  0.110109  0.001222  0.549029  1
  P  P66  1  0.110341  0.002081  0.882490  1
  P  P67  1  0.443215  0.000920  0.217763  1
  P  P68  1  0.443058  0.001387  0.551091  1
  P  P69  1  0.443447  0.001911  0.884473  1
  P  P70  1  0.777019  0.000894  0.214840  1
  P  P71  1  0.776632  0.001496  0.548354  1
  P  P72  1  0.776918  0.001589  0.881723  1
  P  P73  1  0.110115  1.000421  0.049264  1
  P  P74  1  0.110099  0.998951  0.382098  1
  P  P75  1  0.110201  0.999939  0.715767  1
  P  P76  1  0.443272  0.999299  0.051226  1
  P  P77  1  0.443126  0.999633  0.384367  1
  P  P78  1  0.443170  0.999450  0.717778  1
  P  P79  1  0.777380  0.999229  0.048494  1
  P  P80  1  0.776595  0.999328  0.381539  1
  P  P81  1  0.776841  0.999697  0.715094  1
  P  P82  1  0.139510  0.499925  0.131294  1
  P  P83  1  0.138662  0.501665  0.464152  1
  P  P84  1  0.138558  0.501520  0.796972  1
  P  P85  1  0.472357  0.501486  0.134277  1
  P  P86  1  0.471656  0.501576  0.467454  1
  P  P87  1  0.471699  0.501940  0.801158  1
  P  P88  1  0.805526  0.501786  0.133155  1
  P  P89  1  0.805220  0.501399  0.466383  1
  P  P90  1  0.805536  0.501772  0.799730  1
  P  P91  1  0.314229  0.500269  0.188645  1
  P  P92  1  0.313968  0.501227  0.521414  1
  P  P93  1  0.313379  0.501711  0.857074  1
  P  P94  1  0.648276  0.501329  0.186724  1
  P  P95  1  0.647993  0.501451  0.519965  1
  P  P96  1  0.648506  0.501840  0.853443  1
  P  P97  1  0.981881  0.500767  0.184199  1
  P  P98  1  0.981475  0.501422  0.517226  1
  P  P99  1  0.981834  0.502365  0.850986  1
  P  P100  1  0.266138  0.998605  0.329734  1
  P  P101  1  0.265872  0.999172  0.663130  1
  P  P102  1  0.266435  0.999889  0.996353  1
  P  P103  1  0.598366  0.999349  0.332399  1
  P  P104  1  0.598544  0.999647  0.665814  1
  P  P105  1  0.598909  0.999985  -0.000624  1
  P  P106  1  0.932382  0.998758  0.328540  1
  P  P107  1  0.932469  0.999357  0.661954  1
  P  P108  1  0.932914  0.998814  0.995190  1
  P  P109  1  0.005856  0.155580  0.259166  1
  P  P110  1  0.005515  0.156592  0.592350  1
  P  P111  1  0.005598  0.156622  0.925841  1
  P  P112  1  0.338431  0.156353  0.260693  1
  P  P113  1  0.338307  0.156931  0.594109  1
  P  P114  1  0.338651  0.157526  0.927173  1
  P  P115  1  0.671888  0.155582  0.262606  1
  P  P116  1  0.671686  0.155976  0.595851  1
  P  P117  1  0.671964  0.156232  0.929217  1
  P  P118  1  0.245426  0.658792  0.249752  1
  P  P119  1  0.244894  0.659988  0.587464  1
  P  P120  1  0.245726  0.662449  0.926009  1
  P  P121  1  0.576427  0.658753  0.253355  1
  P  P122  1  0.577833  0.659235  0.587113  1
  P  P123  1  0.578092  0.659374  0.920613  1
  P  P124  1  0.911820  0.659016  0.250555  1
  P  P125  1  0.911816  0.659434  0.584443  1
  P  P126  1  0.915481  0.661318  0.919282  1
  P  P127  1  0.245261  0.341316  0.087172  1
  P  P128  1  0.245008  0.340824  0.420880  1
  P  P129  1  0.245220  0.341222  0.754747  1
  P  P130  1  0.577931  0.341774  0.086978  1
  P  P131  1  0.577979  0.341540  0.420428  1
  P  P132  1  0.578203  0.341832  0.753915  1
  P  P133  1  0.912127  0.341948  0.084142  1
  P  P134  1  0.912110  0.341177  0.417693  1
  P  P135  1  0.911912  0.341909  0.751130  1
  P  P136  1  0.006705  0.841933  0.090996  1
  P  P137  1  0.005267  0.844316  0.425755  1
  P  P138  1  0.005944  0.844758  0.758781  1
  P  P139  1  0.336848  0.841789  0.092179  1
  P  P140  1  0.338351  0.844177  0.427084  1
  P  P141  1  0.337975  0.843895  0.761025  1
  P  P142  1  0.672063  0.845000  0.096171  1
  P  P143  1  0.671459  0.845008  0.429216  1
  P  P144  1  0.672126  0.845142  0.762715  1
  P  P145  1  0.072028  0.323791  0.028877  1
  P  P146  1  0.072052  0.324150  0.361840  1
  P  P147  1  0.071989  0.324654  0.695166  1
  P  P148  1  0.403409  0.327518  0.030573  1
  P  P149  1  0.404177  0.324591  0.364504  1
  P  P150  1  0.404164  0.325438  0.698174  1
  P  P151  1  0.738348  0.324018  0.031338  1
  P  P152  1  0.738094  0.323561  0.364620  1
  P  P153  1  0.737958  0.323911  0.697975  1
  P  P154  1  0.174409  0.823400  0.153092  1
  P  P155  1  0.173109  0.825278  0.487711  1
  P  P156  1  0.173243  0.825999  0.821557  1
  P  P157  1  0.505061  0.824454  0.155365  1
  P  P158  1  0.505813  0.824864  0.489138  1
  P  P159  1  0.506181  0.825067  0.822369  1
  P  P160  1  0.840881  0.824325  0.152645  1
  P  P161  1  0.840055  0.824882  0.486309  1
  P  P162  1  0.840830  0.825086  0.819847  1
  P  P163  1  0.173293  0.174706  0.321350  1
  P  P164  1  0.173179  0.175509  0.654780  1
  P  P165  1  0.173370  0.175782  0.987852  1
  P  P166  1  0.505969  0.176016  0.322487  1
  P  P167  1  0.505831  0.176291  0.656026  1
  P  P168  1  0.505812  0.176785  0.989497  1
  P  P169  1  0.840509  0.175578  0.319556  1
  P  P170  1  0.840313  0.176175  0.653114  1
  P  P171  1  0.840485  0.175958  0.986434  1
  P  P172  1  0.071448  0.676005  0.196450  1
  P  P173  1  0.071723  0.676573  0.528688  1
  P  P174  1  0.073209  0.676542  0.862285  1
  P  P175  1  0.401781  0.674587  0.194683  1
  P  P176  1  0.404068  0.676099  0.530896  1
  P  P177  1  0.404307  0.676378  0.864075  1
  P  P178  1  0.737797  0.677312  0.198371  1
  P  P179  1  0.737801  0.677160  0.531273  1
  P  P180  1  0.739214  0.677223  0.865237  1
  P  P181  1  0.003102  0.159133  0.092920  1
  P  P182  1  0.003270  0.158911  0.426024  1
  P  P183  1  0.003214  0.159494  0.759388  1
  P  P184  1  0.336746  0.159768  0.094296  1
  P  P185  1  0.336330  0.159044  0.427817  1
  P  P186  1  0.336616  0.159446  0.761066  1
  P  P187  1  0.669469  0.159077  0.096118  1
  P  P188  1  0.669142  0.158826  0.429355  1
  P  P189  1  0.669315  0.159153  0.762718  1
  P  P190  1  0.244922  0.659995  0.419154  1
  P  P191  1  0.244797  0.660195  0.755890  1
  P  P192  1  0.579588  0.659818  0.087272  1
  P  P193  1  0.578332  0.659659  0.420308  1
  P  P194  1  0.578844  0.659931  0.754003  1
  P  P195  1  0.914084  0.659250  0.083819  1
  P  P196  1  0.911615  0.659450  0.417472  1
  P  P197  1  0.912105  0.659789  0.751066  1
  P  P198  1  0.244760  0.340434  0.253833  1
  P  P199  1  0.244894  0.341256  0.587504  1
  P  P200  1  0.245484  0.341995  0.921388  1
  P  P201  1  0.578813  0.340905  0.253690  1
  P  P202  1  0.578488  0.341299  0.587110  1
  P  P203  1  0.578892  0.341489  0.920461  1
  P  P204  1  0.912044  0.340872  0.250907  1
  P  P205  1  0.911969  0.341448  0.584284  1
  P  P206  1  0.912496  0.341849  0.917820  1
  P  P207  1  0.003236  0.841256  0.259185  1
  P  P208  1  0.003087  0.841686  0.592731  1
  P  P209  1  0.004014  0.841383  0.925922  1
  P  P210  1  0.336017  0.840210  0.259564  1
  P  P211  1  0.336343  0.841753  0.594376  1
  P  P212  1  0.337423  0.842952  0.927533  1
  P  P213  1  0.668533  0.841654  0.262792  1
  P  P214  1  0.669041  0.841998  0.596018  1
  P  P215  1  0.669502  0.842004  0.929459  1
  P  P216  1  0.083886  0.674605  0.034539  1
  P  P217  1  0.071507  0.677537  0.364637  1
  P  P218  1  0.071940  0.677596  0.697441  1
  P  P219  1  0.407572  0.678649  0.032134  1
  P  P220  1  0.405178  0.677921  0.366536  1
  P  P221  1  0.405063  0.678162  0.700198  1
  P  P222  1  0.739066  0.678144  0.033878  1
  P  P223  1  0.737546  0.678188  0.366606  1
  P  P224  1  0.738140  0.678278  0.700113  1
  P  P225  1  0.176281  0.177305  0.151985  1
  P  P226  1  0.175978  0.177665  0.485494  1
  P  P227  1  0.176148  0.178264  0.818697  1
  P  P228  1  0.509511  0.177855  0.153321  1
  P  P229  1  0.509225  0.177978  0.486710  1
  P  P230  1  0.509563  0.178076  0.820177  1
  P  P231  1  0.843304  0.177748  0.150483  1
  P  P232  1  0.842850  0.178106  0.483875  1
  P  P233  1  0.843052  0.178389  0.817333  1
  P  P234  1  0.176493  0.822136  0.317866  1
  P  P235  1  0.176091  0.823126  0.652364  1
  P  P236  1  0.175606  0.825965  0.984237  1
  P  P237  1  0.508714  0.822901  0.319573  1
  P  P238  1  0.509460  0.823076  0.653338  1
  P  P239  1  0.510390  0.823764  0.986381  1
  P  P240  1  0.842655  0.822507  0.317026  1
  P  P241  1  0.842760  0.822989  0.650453  1
  P  P242  1  0.842917  0.822914  0.983705  1
  P  P243  1  0.071805  0.322579  0.197611  1
  P  P244  1  0.071886  0.323240  0.530776  1
  P  P245  1  0.071817  0.323122  0.863947  1
  P  P246  1  0.405221  0.323077  0.199968  1
  P  P247  1  0.405097  0.323283  0.533761  1
  P  P248  1  0.405573  0.323461  0.866855  1
  P  P249  1  0.738241  0.322536  0.199961  1
  P  P250  1  0.738086  0.322666  0.533392  1
  P  P251  1  0.738580  0.323130  0.866894  1
  P  P252  1  0.312305  0.507446  0.025861  1
  P  P253  1  0.314030  0.499866  0.354564  1
  P  P254  1  0.313871  0.500618  0.689019  1
  P  P255  1  0.648431  0.499481  0.020001  1
  P  P256  1  0.648106  0.499354  0.353346  1
  P  P257  1  0.648046  0.499581  0.686700  1
  P  P258  1  0.983165  0.500278  0.017739  1
  P  P259  1  0.981251  0.499125  0.350674  1
  P  P260  1  0.981362  0.499643  0.683981  1
  P  P261  1  0.266394  0.000937  0.162885  1
  P  P262  1  0.265674  0.001738  0.496367  1
  P  P263  1  0.265950  0.002321  0.829709  1
  P  P264  1  0.598550  0.001240  0.165828  1
  P  P265  1  0.598316  0.001462  0.499050  1
  P  P266  1  0.598657  0.001583  0.832598  1
  P  P267  1  0.933230  0.000770  0.161652  1
  P  P268  1  0.932282  0.001687  0.495274  1
  P  P269  1  0.932676  0.001893  0.828628  1
