# generated using pymatgen
data_Fe54P215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.87279687
_cell_length_b   15.91518250
_cell_length_c   19.93127294
_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   5866.64128076
_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  0.033479  0.599163  0.203709  1
  Fe  Fe2  1  0.029447  0.596323  0.539849  1
  Fe  Fe3  1  0.030481  0.597039  0.874020  1
  Fe  Fe4  1  0.356540  0.597378  0.312609  1
  Fe  Fe5  1  0.356122  0.597268  0.645148  1
  Fe  Fe6  1  0.357826  0.596078  0.979355  1
  Fe  Fe7  1  0.695564  0.597054  0.259999  1
  Fe  Fe8  1  0.693096  0.596925  0.593149  1
  Fe  Fe9  1  0.693918  0.597341  0.926723  1
  Fe  Fe10  1  0.219053  0.097849  0.312321  1
  Fe  Fe11  1  0.218233  0.096725  0.645302  1
  Fe  Fe12  1  0.218625  0.094376  0.980130  1
  Fe  Fe13  1  0.553261  0.096048  0.255303  1
  Fe  Fe14  1  0.553702  0.097148  0.588409  1
  Fe  Fe15  1  0.553851  0.097301  0.921779  1
  Fe  Fe16  1  0.890524  0.097355  0.203507  1
  Fe  Fe17  1  0.890550  0.096937  0.536629  1
  Fe  Fe18  1  0.890246  0.097689  0.869938  1
  Fe  Fe19  1  0.211442  0.894913  0.153351  1
  Fe  Fe20  1  0.217811  0.904558  0.475043  1
  Fe  Fe21  1  0.217957  0.903481  0.812074  1
  Fe  Fe22  1  0.554621  0.903685  0.088343  1
  Fe  Fe23  1  0.553761  0.903688  0.421584  1
  Fe  Fe24  1  0.553945  0.904072  0.755185  1
  Fe  Fe25  1  0.889936  0.905083  0.036675  1
  Fe  Fe26  1  0.891241  0.903929  0.370365  1
  Fe  Fe27  1  0.890344  0.903810  0.703150  1
  Fe  Fe28  1  0.031390  0.405283  0.040068  1
  Fe  Fe29  1  0.029616  0.404454  0.372370  1
  Fe  Fe30  1  0.029898  0.403833  0.706458  1
  Fe  Fe31  1  0.358042  0.402719  0.146810  1
  Fe  Fe32  1  0.356516  0.405186  0.478559  1
  Fe  Fe33  1  0.357066  0.404041  0.812970  1
  Fe  Fe34  1  0.695381  0.404633  0.093888  1
  Fe  Fe35  1  0.693478  0.403967  0.426458  1
  Fe  Fe36  1  0.693475  0.404341  0.759885  1
  Fe  Fe37  1  0.290402  0.749558  0.230138  1
  Fe  Fe38  1  0.284994  0.751026  0.561061  1
  Fe  Fe39  1  0.285941  0.749567  0.896705  1
  Fe  Fe40  1  0.625249  0.751091  0.173886  1
  Fe  Fe41  1  0.623364  0.750214  0.507511  1
  Fe  Fe42  1  0.623820  0.750678  0.840986  1
  Fe  Fe43  1  0.963525  0.751403  0.121418  1
  Fe  Fe44  1  0.962437  0.750515  0.454642  1
  Fe  Fe45  1  0.962200  0.750156  0.787525  1
  Fe  Fe46  1  0.286156  0.248510  0.064097  1
  Fe  Fe47  1  0.286236  0.251337  0.396395  1
  Fe  Fe48  1  0.285844  0.250536  0.730427  1
  Fe  Fe49  1  0.624136  0.250767  0.007661  1
  Fe  Fe50  1  0.623621  0.250210  0.340835  1
  Fe  Fe51  1  0.623534  0.250777  0.674315  1
  Fe  Fe52  1  0.962741  0.250844  0.954553  1
  Fe  Fe53  1  0.962088  0.251242  0.287085  1
  Fe  Fe54  1  0.962118  0.250220  0.620774  1
  P  P55  1  0.137715  0.501300  0.224358  1
  P  P56  1  0.135419  0.498891  0.557397  1
  P  P57  1  0.136061  0.498680  0.890796  1
  P  P58  1  0.467394  0.503135  0.330942  1
  P  P59  1  0.467209  0.504739  0.663530  1
  P  P60  1  0.469064  0.503821  0.997023  1
  P  P61  1  0.803248  0.503278  0.278430  1
  P  P62  1  0.802385  0.503849  0.611468  1
  P  P63  1  0.803475  0.504585  0.944812  1
  P  P64  1  0.111438  0.003571  0.295988  1
  P  P65  1  0.112226  0.999465  0.628074  1
  P  P66  1  0.111631  0.998450  0.961975  1
  P  P67  1  0.443653  0.002971  0.238016  1
  P  P68  1  0.444782  0.004095  0.570607  1
  P  P69  1  0.444953  0.003822  0.904133  1
  P  P70  1  0.779834  0.004094  0.185829  1
  P  P71  1  0.780062  0.003800  0.518629  1
  P  P72  1  0.779525  0.004706  0.852200  1
  P  P73  1  0.110797  0.996960  0.129885  1
  P  P74  1  0.112272  0.002228  0.461033  1
  P  P75  1  0.112253  0.000792  0.795089  1
  P  P76  1  0.444792  0.996167  0.070958  1
  P  P77  1  0.445935  0.997611  0.404352  1
  P  P78  1  0.444909  0.996979  0.737330  1
  P  P79  1  0.779411  0.997245  0.019089  1
  P  P80  1  0.780956  0.997060  0.352077  1
  P  P81  1  0.779786  0.996925  0.685393  1
  P  P82  1  0.137310  0.503237  0.057986  1
  P  P83  1  0.135562  0.501596  0.390888  1
  P  P84  1  0.135666  0.501483  0.723899  1
  P  P85  1  0.468806  0.495899  0.164196  1
  P  P86  1  0.467327  0.497059  0.497081  1
  P  P87  1  0.467693  0.497116  0.830272  1
  P  P88  1  0.804779  0.498316  0.111911  1
  P  P89  1  0.802568  0.497133  0.444845  1
  P  P90  1  0.802858  0.497344  0.778081  1
  P  P91  1  0.311334  0.502699  0.218108  1
  P  P92  1  0.309518  0.504491  0.550071  1
  P  P93  1  0.310588  0.502711  0.884617  1
  P  P94  1  0.646781  0.503819  0.165640  1
  P  P95  1  0.645263  0.503368  0.498802  1
  P  P96  1  0.645721  0.503770  0.832387  1
  P  P97  1  0.983036  0.507621  0.111218  1
  P  P98  1  0.979437  0.503852  0.444475  1
  P  P99  1  0.979917  0.503909  0.778415  1
  P  P100  1  0.269649  0.005393  0.407705  1
  P  P101  1  0.268618  0.003952  0.740636  1
  P  P102  1  0.266295  0.001010  0.076711  1
  P  P103  1  0.602809  0.003227  0.349513  1
  P  P104  1  0.601926  0.003816  0.682920  1
  P  P105  1  0.601831  0.003813  0.016370  1
  P  P106  1  0.937910  0.003238  0.297888  1
  P  P107  1  0.937031  0.003000  0.631360  1
  P  P108  1  0.936216  0.004110  0.964523  1
  P  P109  1  0.011206  0.158054  0.221136  1
  P  P110  1  0.011727  0.156696  0.554903  1
  P  P111  1  0.011832  0.156733  0.888629  1
  P  P112  1  0.338844  0.155363  0.327637  1
  P  P113  1  0.338730  0.156330  0.661770  1
  P  P114  1  0.338866  0.154141  0.996087  1
  P  P115  1  0.673613  0.156020  0.271973  1
  P  P116  1  0.673566  0.156467  0.605402  1
  P  P117  1  0.673762  0.156665  0.938800  1
  P  P118  1  0.235448  0.662786  0.291625  1
  P  P119  1  0.235544  0.657702  0.627331  1
  P  P120  1  0.236464  0.655958  0.961837  1
  P  P121  1  0.575878  0.656840  0.242822  1
  P  P122  1  0.573375  0.656431  0.576392  1
  P  P123  1  0.574178  0.656311  0.909871  1
  P  P124  1  0.912919  0.659029  0.190822  1
  P  P125  1  0.909075  0.656272  0.523604  1
  P  P126  1  0.909647  0.656389  0.857023  1
  P  P127  1  0.236703  0.343274  0.128304  1
  P  P128  1  0.236161  0.344728  0.461870  1
  P  P129  1  0.236085  0.343926  0.795424  1
  P  P130  1  0.574744  0.344721  0.076646  1
  P  P131  1  0.573860  0.344302  0.409663  1
  P  P132  1  0.573660  0.344994  0.743168  1
  P  P133  1  0.910426  0.346060  0.023675  1
  P  P134  1  0.909301  0.344996  0.355912  1
  P  P135  1  0.909218  0.344590  0.689808  1
  P  P136  1  0.009265  0.844223  0.051189  1
  P  P137  1  0.012788  0.843855  0.387746  1
  P  P138  1  0.011532  0.843968  0.721528  1
  P  P139  1  0.338850  0.843705  0.161949  1
  P  P140  1  0.338344  0.845089  0.493791  1
  P  P141  1  0.338589  0.844269  0.827909  1
  P  P142  1  0.674828  0.845043  0.104919  1
  P  P143  1  0.673800  0.844345  0.438549  1
  P  P144  1  0.673656  0.844919  0.771983  1
  P  P145  1  0.080178  0.324964  0.970087  1
  P  P146  1  0.079563  0.325648  0.302438  1
  P  P147  1  0.079257  0.324697  0.636105  1
  P  P148  1  0.405768  0.321192  0.075944  1
  P  P149  1  0.404934  0.323040  0.408666  1
  P  P150  1  0.405093  0.322769  0.742366  1
  P  P151  1  0.741545  0.323007  0.022153  1
  P  P152  1  0.740816  0.322316  0.355416  1
  P  P153  1  0.740603  0.322771  0.688628  1
  P  P154  1  0.168810  0.826234  0.546114  1
  P  P155  1  0.169212  0.824670  0.883315  1
  P  P156  1  0.507642  0.822326  0.159702  1
  P  P157  1  0.506413  0.822466  0.492622  1
  P  P158  1  0.506640  0.822505  0.826379  1
  P  P159  1  0.844615  0.822923  0.108456  1
  P  P160  1  0.842781  0.822301  0.440423  1
  P  P161  1  0.842573  0.822370  0.774155  1
  P  P162  1  0.169300  0.177251  0.382280  1
  P  P163  1  0.168804  0.175666  0.715635  1
  P  P164  1  0.168573  0.174168  0.049116  1
  P  P165  1  0.506923  0.177793  0.326797  1
  P  P166  1  0.506502  0.178737  0.659737  1
  P  P167  1  0.506789  0.178401  0.993383  1
  P  P168  1  0.842788  0.178673  0.274360  1
  P  P169  1  0.842603  0.178399  0.607596  1
  P  P170  1  0.842896  0.179563  0.941188  1
  P  P171  1  0.088313  0.688481  0.143302  1
  P  P172  1  0.079199  0.675885  0.470411  1
  P  P173  1  0.079549  0.676028  0.803576  1
  P  P174  1  0.407829  0.677247  0.242841  1
  P  P175  1  0.404499  0.678977  0.575000  1
  P  P176  1  0.405354  0.677847  0.908445  1
  P  P177  1  0.743185  0.678963  0.189210  1
  P  P178  1  0.740478  0.678346  0.522025  1
  P  P179  1  0.740790  0.678600  0.855075  1
  P  P180  1  -0.000161  0.163808  0.054174  1
  P  P181  1  -0.000135  0.163719  0.386783  1
  P  P182  1  0.999591  0.163174  0.720485  1
  P  P183  1  0.334812  0.161284  0.161718  1
  P  P184  1  0.335658  0.164727  0.494611  1
  P  P185  1  0.335214  0.163522  0.828314  1
  P  P186  1  0.668659  0.163079  0.105764  1
  P  P187  1  0.668823  0.162661  0.438963  1
  P  P188  1  0.668386  0.163251  0.772336  1
  P  P189  1  0.252748  0.661675  0.128335  1
  P  P190  1  0.247095  0.665753  0.460354  1
  P  P191  1  0.248152  0.663437  0.796124  1
  P  P192  1  0.581140  0.663265  0.076103  1
  P  P193  1  0.578420  0.662285  0.409496  1
  P  P194  1  0.578822  0.663118  0.742918  1
  P  P195  1  0.914017  0.664243  0.024183  1
  P  P196  1  0.911215  0.662341  0.358024  1
  P  P197  1  0.912616  0.662898  0.690707  1
  P  P198  1  0.248436  0.336826  0.295741  1
  P  P199  1  0.248365  0.337263  0.629762  1
  P  P200  1  0.249102  0.335299  0.963206  1
  P  P201  1  0.579238  0.337388  0.242586  1
  P  P202  1  0.578875  0.338279  0.576218  1
  P  P203  1  0.579262  0.338424  0.909776  1
  P  P204  1  0.913038  0.338710  0.189671  1
  P  P205  1  0.912754  0.337652  0.523461  1
  P  P206  1  0.913171  0.338027  0.857285  1
  P  P207  1  0.012009  0.840992  0.218460  1
  P  P208  1  0.000050  0.837445  0.553755  1
  P  P209  1  0.999593  0.837345  0.886359  1
  P  P210  1  0.340247  0.837401  0.329005  1
  P  P211  1  0.334652  0.837637  0.659853  1
  P  P212  1  0.335567  0.835865  0.994553  1
  P  P213  1  0.672537  0.838912  0.271613  1
  P  P214  1  0.668478  0.838096  0.605464  1
  P  P215  1  0.668303  0.838300  0.938861  1
  P  P216  1  0.069252  0.674581  0.973259  1
  P  P217  1  0.067775  0.673407  0.306715  1
  P  P218  1  0.068465  0.674499  0.637963  1
  P  P219  1  0.407561  0.672123  0.076458  1
  P  P220  1  0.405023  0.672179  0.410322  1
  P  P221  1  0.404515  0.673469  0.742542  1
  P  P222  1  0.739538  0.674596  0.023711  1
  P  P223  1  0.737763  0.673772  0.357390  1
  P  P224  1  0.738039  0.673963  0.690277  1
  P  P225  1  0.179351  0.172798  0.213514  1
  P  P226  1  0.179508  0.174682  0.547257  1
  P  P227  1  0.179571  0.173138  0.881051  1
  P  P228  1  0.508793  0.172787  0.158305  1
  P  P229  1  0.509315  0.174155  0.491503  1
  P  P230  1  0.509019  0.174020  0.824828  1
  P  P231  1  0.842793  0.173990  0.106667  1
  P  P232  1  0.843137  0.173563  0.439959  1
  P  P233  1  0.842775  0.173994  0.773394  1
  P  P234  1  0.179962  0.829524  0.373060  1
  P  P235  1  0.179250  0.826400  0.713420  1
  P  P236  1  0.179580  0.825796  0.050359  1
  P  P237  1  0.511985  0.826956  0.323969  1
  P  P238  1  0.509091  0.827377  0.657875  1
  P  P239  1  0.509396  0.826941  0.991326  1
  P  P240  1  0.848691  0.827665  0.272457  1
  P  P241  1  0.842947  0.827131  0.606386  1
  P  P242  1  0.842112  0.827751  0.939717  1
  P  P243  1  0.069463  0.327378  0.137839  1
  P  P244  1  0.068556  0.326231  0.470590  1
  P  P245  1  0.068732  0.325739  0.804383  1
  P  P246  1  0.405439  0.326636  0.243402  1
  P  P247  1  0.404872  0.328981  0.576657  1
  P  P248  1  0.405519  0.327776  0.910257  1
  P  P249  1  0.739040  0.327172  0.190561  1
  P  P250  1  0.738277  0.327037  0.523733  1
  P  P251  1  0.738404  0.327573  0.857077  1
  P  P252  1  0.312011  0.496008  0.051014  1
  P  P253  1  0.308740  0.499123  0.383224  1
  P  P254  1  0.310155  0.497945  0.717575  1
  P  P255  1  0.646915  0.497614  -0.000731  1
  P  P256  1  0.645425  0.497148  0.331870  1
  P  P257  1  0.645209  0.497689  0.665627  1
  P  P258  1  0.980313  0.497092  0.944810  1
  P  P259  1  0.980284  0.497645  0.276860  1
  P  P260  1  0.979263  0.496768  0.611533  1
  P  P261  1  0.264772  0.991007  0.242140  1
  P  P262  1  0.268337  0.997190  0.573166  1
  P  P263  1  0.268770  0.995801  0.908134  1
  P  P264  1  0.601747  0.997045  0.183068  1
  P  P265  1  0.602188  0.997322  0.516274  1
  P  P266  1  0.601879  0.997644  0.849634  1
  P  P267  1  0.936638  0.997956  0.131711  1
  P  P268  1  0.937559  0.997661  0.464753  1
  P  P269  1  0.936734  0.997906  0.798035  1
