# generated using pymatgen
data_Fe54P215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.88785690
_cell_length_b   15.90960255
_cell_length_c   19.92836756
_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   5868.40863648
_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  0.033736  0.590660  0.271462  1
  Fe  Fe2  1  0.033610  0.592554  0.604860  1
  Fe  Fe3  1  0.033155  0.591207  0.938989  1
  Fe  Fe4  1  0.366262  0.591665  0.281777  1
  Fe  Fe5  1  0.365781  0.589396  0.615119  1
  Fe  Fe6  1  0.365878  0.587618  0.949574  1
  Fe  Fe7  1  0.699471  0.591034  0.282081  1
  Fe  Fe8  1  0.698792  0.591231  0.615103  1
  Fe  Fe9  1  0.700254  0.590819  0.948652  1
  Fe  Fe10  1  0.202658  0.099725  0.227246  1
  Fe  Fe11  1  0.217700  0.097400  0.577071  1
  Fe  Fe12  1  0.217219  0.096631  0.915013  1
  Fe  Fe13  1  0.550001  0.097444  0.249639  1
  Fe  Fe14  1  0.550308  0.097658  0.583173  1
  Fe  Fe15  1  0.551056  0.097761  0.916547  1
  Fe  Fe16  1  0.884182  0.096901  0.240950  1
  Fe  Fe17  1  0.884957  0.097811  0.573900  1
  Fe  Fe18  1  0.887495  0.096603  0.908394  1
  Fe  Fe19  1  0.218976  0.902514  0.075403  1
  Fe  Fe20  1  0.218064  0.907699  0.407391  1
  Fe  Fe21  1  0.218546  0.904278  0.743534  1
  Fe  Fe22  1  0.550242  0.903714  0.083040  1
  Fe  Fe23  1  0.549227  0.903432  0.417029  1
  Fe  Fe24  1  0.550102  0.903756  0.750137  1
  Fe  Fe25  1  0.884174  0.903412  0.073679  1
  Fe  Fe26  1  0.884928  0.904917  0.406982  1
  Fe  Fe27  1  0.885235  0.904370  0.740656  1
  Fe  Fe28  1  0.037793  0.407771  0.106715  1
  Fe  Fe29  1  0.034181  0.410679  0.437132  1
  Fe  Fe30  1  0.033497  0.410828  0.770568  1
  Fe  Fe31  1  0.363353  0.409257  0.115798  1
  Fe  Fe32  1  0.360749  0.405145  0.443042  1
  Fe  Fe33  1  0.365934  0.410118  0.782372  1
  Fe  Fe34  1  0.699612  0.410165  0.115730  1
  Fe  Fe35  1  0.700977  0.410929  0.449494  1
  Fe  Fe36  1  0.699639  0.410113  0.782355  1
  Fe  Fe37  1  0.287549  0.760429  0.169441  1
  Fe  Fe38  1  0.287445  0.758507  0.501711  1
  Fe  Fe39  1  0.287793  0.757282  0.835409  1
  Fe  Fe40  1  0.619161  0.757306  0.173362  1
  Fe  Fe41  1  0.618368  0.757060  0.506676  1
  Fe  Fe42  1  0.619296  0.757165  0.840052  1
  Fe  Fe43  1  0.955462  0.755487  0.164551  1
  Fe  Fe44  1  0.956052  0.758216  0.497400  1
  Fe  Fe45  1  0.955973  0.756494  0.830933  1
  Fe  Fe46  1  0.287719  0.242107  0.004526  1
  Fe  Fe47  1  0.295123  0.259366  0.350631  1
  Fe  Fe48  1  0.286588  0.243243  0.670736  1
  Fe  Fe49  1  0.620948  0.244157  0.006881  1
  Fe  Fe50  1  0.616939  0.242782  0.339733  1
  Fe  Fe51  1  0.619475  0.243975  0.673168  1
  Fe  Fe52  1  0.961223  0.240421  -0.001566  1
  Fe  Fe53  1  0.955460  0.245592  0.329712  1
  Fe  Fe54  1  0.957293  0.245008  0.663734  1
  P  P55  1  0.139438  0.501272  0.294053  1
  P  P56  1  0.138639  0.501427  0.626710  1
  P  P57  1  0.138558  0.501498  0.959462  1
  P  P58  1  0.471991  0.501735  0.302829  1
  P  P59  1  0.471275  0.499318  0.636719  1
  P  P60  1  0.471539  0.498845  0.970031  1
  P  P61  1  0.804546  0.499044  0.301573  1
  P  P62  1  0.804740  0.500194  0.634820  1
  P  P63  1  0.805610  0.499299  0.968299  1
  P  P64  1  0.106803  1.000192  0.212381  1
  P  P65  1  0.110317  0.002044  0.547264  1
  P  P66  1  0.111083  0.999589  0.881420  1
  P  P67  1  0.439058  0.006274  0.219617  1
  P  P68  1  0.442674  0.002419  0.554668  1
  P  P69  1  0.442984  0.001977  0.887676  1
  P  P70  1  0.776531  0.001690  0.213301  1
  P  P71  1  0.776651  0.002225  0.546909  1
  P  P72  1  0.777775  0.002044  0.880459  1
  P  P73  1  0.108414  0.991600  0.045197  1
  P  P74  1  0.110341  0.002773  0.379883  1
  P  P75  1  0.110170  0.998690  0.714120  1
  P  P76  1  0.443797  0.999749  0.053925  1
  P  P77  1  0.442188  0.999580  0.388068  1
  P  P78  1  0.443158  0.999877  0.721321  1
  P  P79  1  0.776503  0.998919  0.046426  1
  P  P80  1  0.776041  0.999247  0.379882  1
  P  P81  1  0.777022  0.999596  0.713721  1
  P  P82  1  0.140749  0.500577  0.126896  1
  P  P83  1  0.137801  0.504422  0.460167  1
  P  P84  1  0.138582  0.501860  0.793113  1
  P  P85  1  0.470300  0.501374  0.136023  1
  P  P86  1  0.470049  0.499909  0.469429  1
  P  P87  1  0.471234  0.500851  0.803223  1
  P  P88  1  0.806475  0.499752  0.135222  1
  P  P89  1  0.805363  0.502237  0.468427  1
  P  P90  1  0.805038  0.501513  0.801552  1
  P  P91  1  0.313846  0.501234  0.191469  1
  P  P92  1  0.312982  0.500296  0.523609  1
  P  P93  1  0.312542  0.498575  0.858218  1
  P  P94  1  0.647529  0.501777  0.189459  1
  P  P95  1  0.647269  0.501855  0.522842  1
  P  P96  1  0.648043  0.501621  0.856247  1
  P  P97  1  0.984875  0.498123  0.180039  1
  P  P98  1  0.982152  0.502718  0.512250  1
  P  P99  1  0.981809  0.501610  0.846032  1
  P  P100  1  0.263808  0.003895  0.323743  1
  P  P101  1  0.266731  0.998737  0.661188  1
  P  P102  1  0.267718  0.996707  0.993609  1
  P  P103  1  0.596110  0.999729  0.336194  1
  P  P104  1  0.598020  1.000051  0.670199  1
  P  P105  1  0.598160  1.000037  0.003376  1
  P  P106  1  0.932437  0.999872  0.325684  1
  P  P107  1  0.932584  0.999871  0.659346  1
  P  P108  1  0.933060  0.998433  0.992925  1
  P  P109  1  0.005440  0.157339  0.256014  1
  P  P110  1  0.006201  0.157605  0.588709  1
  P  P111  1  0.009438  0.155802  0.922406  1
  P  P112  1  0.327113  0.165659  0.257478  1
  P  P113  1  0.337317  0.158958  0.593077  1
  P  P114  1  0.337616  0.157701  0.927354  1
  P  P115  1  0.671187  0.155116  0.267057  1
  P  P116  1  0.671545  0.155682  0.599754  1
  P  P117  1  0.673162  0.155455  0.933752  1
  P  P118  1  0.245609  0.663440  0.255471  1
  P  P119  1  0.245387  0.661519  0.588280  1
  P  P120  1  0.245614  0.659834  0.921487  1
  P  P121  1  0.577353  0.660026  0.257152  1
  P  P122  1  0.576465  0.659257  0.590285  1
  P  P123  1  0.577579  0.659007  0.923769  1
  P  P124  1  0.911550  0.657043  0.246152  1
  P  P125  1  0.912072  0.660004  0.580173  1
  P  P126  1  0.912091  0.658611  0.914141  1
  P  P127  1  0.244927  0.332528  0.095342  1
  P  P128  1  0.240339  0.343423  0.425598  1
  P  P129  1  0.245059  0.338326  0.758467  1
  P  P130  1  0.577960  0.342213  0.089795  1
  P  P131  1  0.579358  0.341175  0.424331  1
  P  P132  1  0.577581  0.341715  0.756993  1
  P  P133  1  0.917911  0.337285  0.081349  1
  P  P134  1  0.911863  0.343038  0.412902  1
  P  P135  1  0.912125  0.342613  0.746112  1
  P  P136  1  0.004333  0.842032  0.089885  1
  P  P137  1  0.006347  0.846216  0.423158  1
  P  P138  1  0.005882  0.844214  0.756362  1
  P  P139  1  0.338879  0.845130  0.093845  1
  P  P140  1  0.336898  0.845294  0.424668  1
  P  P141  1  0.338376  0.843253  0.759425  1
  P  P142  1  0.671157  0.845576  0.099900  1
  P  P143  1  0.670375  0.845556  0.433015  1
  P  P144  1  0.671348  0.845700  0.766606  1
  P  P145  1  0.074672  0.327294  0.020484  1
  P  P146  1  0.071825  0.325921  0.354595  1
  P  P147  1  0.073647  0.325718  0.690174  1
  P  P148  1  0.403537  0.325950  0.033027  1
  P  P149  1  0.408474  0.329116  0.365833  1
  P  P150  1  0.403664  0.325401  0.699602  1
  P  P151  1  0.739823  0.322955  0.035085  1
  P  P152  1  0.736770  0.322660  0.367863  1
  P  P153  1  0.737344  0.323276  0.701153  1
  P  P154  1  0.173008  0.826869  0.153457  1
  P  P155  1  0.173810  0.828461  0.486576  1
  P  P156  1  0.173704  0.826007  0.820425  1
  P  P157  1  0.504899  0.826287  0.159743  1
  P  P158  1  0.503505  0.825057  0.492705  1
  P  P159  1  0.504672  0.824774  0.826207  1
  P  P160  1  0.840550  0.824112  0.150580  1
  P  P161  1  0.840635  0.825344  0.483728  1
  P  P162  1  0.841164  0.824744  0.817434  1
  P  P163  1  0.176380  0.178220  0.318451  1
  P  P164  1  0.173064  0.173542  0.656226  1
  P  P165  1  0.174878  0.168863  0.000090  1
  P  P166  1  0.500610  0.175543  0.323790  1
  P  P167  1  0.504736  0.176408  0.658959  1
  P  P168  1  0.505336  0.176800  0.992081  1
  P  P169  1  0.840742  0.177050  0.317139  1
  P  P170  1  0.841418  0.177226  0.650746  1
  P  P171  1  0.844723  0.175680  0.985492  1
  P  P172  1  0.072843  0.675831  0.191687  1
  P  P173  1  0.073013  0.678517  0.524977  1
  P  P174  1  0.072775  0.676394  0.858389  1
  P  P175  1  0.403812  0.677148  0.199148  1
  P  P176  1  0.403074  0.674669  0.531163  1
  P  P177  1  0.403670  0.673610  0.865324  1
  P  P178  1  0.737125  0.677548  0.200755  1
  P  P179  1  0.736847  0.678271  0.534079  1
  P  P180  1  0.737417  0.677946  0.867445  1
  P  P181  1  0.016175  0.156228  0.090703  1
  P  P182  1  0.003060  0.161116  0.422626  1
  P  P183  1  0.004197  0.159949  0.755678  1
  P  P184  1  0.341598  0.158085  0.094687  1
  P  P185  1  0.337974  0.160436  0.427958  1
  P  P186  1  0.337191  0.159031  0.761077  1
  P  P187  1  0.669502  0.158571  0.099945  1
  P  P188  1  0.667635  0.158226  0.432714  1
  P  P189  1  0.669129  0.158841  0.766575  1
  P  P190  1  0.245135  0.660562  0.088632  1
  P  P191  1  0.243144  0.662326  0.421000  1
  P  P192  1  0.244396  0.660058  0.754422  1
  P  P193  1  0.577795  0.659887  0.090372  1
  P  P194  1  0.577574  0.659892  0.423654  1
  P  P195  1  0.578236  0.659904  0.757087  1
  P  P196  1  0.912115  0.657485  0.080909  1
  P  P197  1  0.912405  0.660314  0.413720  1
  P  P198  1  0.912001  0.659357  0.747232  1
  P  P199  1  0.246375  0.345649  0.259928  1
  P  P200  1  0.243415  0.340893  0.590946  1
  P  P201  1  0.242065  0.338651  0.925863  1
  P  P202  1  0.578636  0.341325  0.257408  1
  P  P203  1  0.577774  0.341335  0.590240  1
  P  P204  1  0.579611  0.341012  0.923714  1
  P  P205  1  0.912814  0.341734  0.245932  1
  P  P206  1  0.912675  0.342456  0.579765  1
  P  P207  1  0.913348  0.340808  0.913953  1
  P  P208  1  0.001996  0.841076  0.256484  1
  P  P209  1  0.003265  0.842627  0.590046  1
  P  P210  1  0.003687  0.840714  0.923581  1
  P  P211  1  0.335612  0.845935  0.259464  1
  P  P212  1  0.337047  0.841870  0.592825  1
  P  P213  1  0.337494  0.840404  0.926704  1
  P  P214  1  0.668748  0.842585  0.266559  1
  P  P215  1  0.668020  0.842331  0.599715  1
  P  P216  1  0.668521  0.842236  0.933218  1
  P  P217  1  0.072209  0.676828  0.027661  1
  P  P218  1  0.070820  0.678627  0.359733  1
  P  P219  1  0.071789  0.678106  0.693805  1
  P  P220  1  0.404613  0.676732  0.035067  1
  P  P221  1  0.405270  0.679339  0.368127  1
  P  P222  1  0.405514  0.677101  0.701247  1
  P  P223  1  0.737805  0.678548  0.036407  1
  P  P224  1  0.737669  0.679111  0.369553  1
  P  P225  1  0.737392  0.679013  0.702665  1
  P  P226  1  0.175445  0.177464  0.484659  1
  P  P227  1  0.175263  0.175875  0.822451  1
  P  P228  1  0.511474  0.178882  0.156111  1
  P  P229  1  0.509644  0.178213  0.489830  1
  P  P230  1  0.509766  0.177924  0.823369  1
  P  P231  1  0.844252  0.178219  0.147984  1
  P  P232  1  0.842503  0.179258  0.481378  1
  P  P233  1  0.844443  0.178439  0.815680  1
  P  P234  1  0.174702  0.826013  0.317129  1
  P  P235  1  0.176003  0.823945  0.651003  1
  P  P236  1  0.176932  0.821155  0.983903  1
  P  P237  1  0.508022  0.824192  0.323079  1
  P  P238  1  0.508867  0.823592  0.656879  1
  P  P239  1  0.509063  0.822946  0.990197  1
  P  P240  1  0.843289  0.822335  0.314798  1
  P  P241  1  0.842806  0.822910  0.648274  1
  P  P242  1  0.842827  0.821719  0.981523  1
  P  P243  1  0.080327  0.316401  0.190445  1
  P  P244  1  0.072246  0.324820  0.525366  1
  P  P245  1  0.071581  0.324004  0.858013  1
  P  P246  1  0.406916  0.323999  0.202527  1
  P  P247  1  0.404049  0.324275  0.534270  1
  P  P248  1  0.405610  0.323132  0.869457  1
  P  P249  1  0.737641  0.321746  0.203107  1
  P  P250  1  0.738207  0.322675  0.536957  1
  P  P251  1  0.738780  0.322199  0.869875  1
  P  P252  1  0.311386  0.497925  0.024946  1
  P  P253  1  0.313673  0.503861  0.358565  1
  P  P254  1  0.312895  0.499852  0.691051  1
  P  P255  1  0.648776  0.499343  0.023056  1
  P  P256  1  0.648102  0.499789  0.356524  1
  P  P257  1  0.647790  0.499499  0.689581  1
  P  P258  1  0.982440  0.498673  0.013585  1
  P  P259  1  0.981323  0.500167  0.345751  1
  P  P260  1  0.981715  0.500164  0.678759  1
  P  P261  1  0.260633  0.008782  0.156563  1
  P  P262  1  0.266519  0.003303  0.493972  1
  P  P263  1  0.266162  0.002528  0.828279  1
  P  P264  1  0.597464  0.001351  0.170326  1
  P  P265  1  0.597609  0.001129  0.503471  1
  P  P266  1  0.598512  0.001376  0.836984  1
  P  P267  1  0.931817  0.002737  0.158029  1
  P  P268  1  0.932225  0.002959  0.492414  1
  P  P269  1  0.933577  0.001805  0.826339  1
