# generated using pymatgen
data_Fe54P215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.88383803
_cell_length_b   15.91662102
_cell_length_c   19.93103399
_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   5870.53363791
_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  0.032773  0.591276  0.269860  1
  Fe  Fe2  1  0.033981  0.590346  0.610333  1
  Fe  Fe3  1  0.045583  0.600866  0.953976  1
  Fe  Fe4  1  0.363968  0.589917  0.287233  1
  Fe  Fe5  1  0.365537  0.590976  0.619928  1
  Fe  Fe6  1  0.367466  0.590055  0.953309  1
  Fe  Fe7  1  0.699453  0.591472  0.271068  1
  Fe  Fe8  1  0.700386  0.591687  0.604610  1
  Fe  Fe9  1  0.700930  0.591568  0.937892  1
  Fe  Fe10  1  0.217364  0.097313  0.251780  1
  Fe  Fe11  1  0.216860  0.098087  0.585538  1
  Fe  Fe12  1  0.216296  0.096618  0.918933  1
  Fe  Fe13  1  0.550715  0.096483  0.243232  1
  Fe  Fe14  1  0.551910  0.097226  0.576113  1
  Fe  Fe15  1  0.551755  0.096946  0.909616  1
  Fe  Fe16  1  0.886627  0.094098  0.238111  1
  Fe  Fe17  1  0.886519  0.096348  0.572583  1
  Fe  Fe18  1  0.886096  0.098202  0.905652  1
  Fe  Fe19  1  0.212990  0.901047  0.084021  1
  Fe  Fe20  1  0.216863  0.904662  0.419611  1
  Fe  Fe21  1  0.216756  0.904578  0.752468  1
  Fe  Fe22  1  0.551246  0.903461  0.075885  1
  Fe  Fe23  1  0.551224  0.903434  0.409182  1
  Fe  Fe24  1  0.551678  0.903976  0.742701  1
  Fe  Fe25  1  0.889126  0.902989  0.071627  1
  Fe  Fe26  1  0.886232  0.903704  0.405292  1
  Fe  Fe27  1  0.886068  0.905483  0.737659  1
  Fe  Fe28  1  0.032442  0.411087  0.111620  1
  Fe  Fe29  1  0.032989  0.411269  0.444094  1
  Fe  Fe30  1  0.033303  0.414659  0.779746  1
  Fe  Fe31  1  0.365742  0.409991  0.119902  1
  Fe  Fe32  1  0.365168  0.410644  0.453085  1
  Fe  Fe33  1  0.366212  0.410880  0.786943  1
  Fe  Fe34  1  0.699501  0.408671  0.104757  1
  Fe  Fe35  1  0.700336  0.409240  0.437660  1
  Fe  Fe36  1  0.701855  0.409410  0.771316  1
  Fe  Fe37  1  0.279417  0.753013  0.174317  1
  Fe  Fe38  1  0.284231  0.757883  0.510313  1
  Fe  Fe39  1  0.284973  0.758708  0.842917  1
  Fe  Fe40  1  0.620677  0.756334  0.165123  1
  Fe  Fe41  1  0.622481  0.756333  0.498285  1
  Fe  Fe42  1  0.624392  0.755631  0.832546  1
  Fe  Fe43  1  0.956008  0.753890  0.165020  1
  Fe  Fe44  1  0.956536  0.756812  0.496558  1
  Fe  Fe45  1  0.955664  0.759350  0.829976  1
  Fe  Fe46  1  0.285342  0.240657  0.009320  1
  Fe  Fe47  1  0.285058  0.243605  0.342400  1
  Fe  Fe48  1  0.285327  0.244247  0.676374  1
  Fe  Fe49  1  0.623111  0.244336  -0.001254  1
  Fe  Fe50  1  0.622583  0.243843  0.331926  1
  Fe  Fe51  1  0.623331  0.244501  0.664717  1
  Fe  Fe52  1  0.956004  0.244372  -0.001564  1
  Fe  Fe53  1  0.954970  0.242747  0.332824  1
  Fe  Fe54  1  0.955484  0.245038  0.666239  1
  P  P55  1  0.137042  0.497911  0.298519  1
  P  P56  1  0.138492  0.499755  0.632497  1
  P  P57  1  0.141158  0.500527  0.967021  1
  P  P58  1  0.470528  0.499782  0.305280  1
  P  P59  1  0.471534  0.500023  0.638571  1
  P  P60  1  0.471726  0.498941  0.972274  1
  P  P61  1  0.805262  0.499736  0.293093  1
  P  P62  1  0.805790  0.500489  0.626164  1
  P  P63  1  0.809260  0.503336  0.961313  1
  P  P64  1  0.110223  0.002592  0.224556  1
  P  P65  1  0.109823  0.002426  0.557120  1
  P  P66  1  0.108813  0.003014  0.889441  1
  P  P67  1  0.442569  0.000776  0.216277  1
  P  P68  1  0.443628  0.001828  0.549775  1
  P  P69  1  0.443897  0.001148  0.882943  1
  P  P70  1  0.777921  0.000920  0.210232  1
  P  P71  1  0.778387  0.001143  0.544021  1
  P  P72  1  0.778024  0.002682  0.877134  1
  P  P73  1  0.107358  0.997921  0.056961  1
  P  P74  1  0.110061  1.000394  0.390758  1
  P  P75  1  0.110298  0.001229  0.723630  1
  P  P76  1  0.441624  0.997061  0.049175  1
  P  P77  1  0.443309  0.999059  0.383081  1
  P  P78  1  0.443596  0.999553  0.716311  1
  P  P79  1  0.778993  0.999284  0.044451  1
  P  P80  1  0.777921  0.998459  0.377080  1
  P  P81  1  0.777576  0.999689  0.710125  1
  P  P82  1  0.141406  0.492930  0.135281  1
  P  P83  1  0.138580  0.500764  0.465679  1
  P  P84  1  0.139063  0.503468  0.799675  1
  P  P85  1  0.471323  0.500744  0.138889  1
  P  P86  1  0.470926  0.501462  0.471708  1
  P  P87  1  0.472209  0.501221  0.805544  1
  P  P88  1  0.803907  0.500623  0.126924  1
  P  P89  1  0.805181  0.501109  0.459480  1
  P  P90  1  0.806735  0.501255  0.793050  1
  P  P91  1  0.313509  0.501014  0.194289  1
  P  P92  1  0.313406  0.501741  0.527805  1
  P  P93  1  0.314003  0.501513  0.861522  1
  P  P94  1  0.648354  0.501892  0.178163  1
  P  P95  1  0.648886  0.502085  0.511444  1
  P  P96  1  0.650909  0.502332  0.845272  1
  P  P97  1  0.978168  0.498511  0.186576  1
  P  P98  1  0.980041  0.500680  0.519327  1
  P  P99  1  0.983312  0.505512  0.857071  1
  P  P100  1  0.265227  0.999723  0.339034  1
  P  P101  1  0.265053  1.000358  0.672387  1
  P  P102  1  0.261392  0.995955  0.004494  1
  P  P103  1  0.598511  0.999165  0.329377  1
  P  P104  1  0.599049  0.999910  0.662735  1
  P  P105  1  0.598968  0.999641  0.996361  1
  P  P106  1  0.935315  0.996180  0.321944  1
  P  P107  1  0.935478  0.998882  0.655820  1
  P  P108  1  0.934353  0.999339  0.989407  1
  P  P109  1  0.005355  0.157472  0.256094  1
  P  P110  1  0.005461  0.159877  0.588793  1
  P  P111  1  0.005251  0.160938  0.921503  1
  P  P112  1  0.337644  0.155285  0.268612  1
  P  P113  1  0.337891  0.156327  0.602577  1
  P  P114  1  0.337911  0.153724  0.936536  1
  P  P115  1  0.672487  0.154919  0.258340  1
  P  P116  1  0.673539  0.155613  0.591617  1
  P  P117  1  0.673090  0.156062  0.924987  1
  P  P118  1  0.240431  0.658735  0.260719  1
  P  P119  1  0.243525  0.660843  0.594947  1
  P  P120  1  0.245806  0.661469  0.928040  1
  P  P121  1  0.576650  0.658033  0.246421  1
  P  P122  1  0.578519  0.658339  0.580307  1
  P  P123  1  0.578553  0.657672  0.913023  1
  P  P124  1  0.912290  0.660588  0.250911  1
  P  P125  1  0.913515  0.661487  0.584382  1
  P  P126  1  0.920163  0.666854  0.922544  1
  P  P127  1  0.245255  0.338116  0.093888  1
  P  P128  1  0.243602  0.340343  0.427361  1
  P  P129  1  0.243934  0.341673  0.760797  1
  P  P130  1  0.578267  0.342114  0.080118  1
  P  P131  1  0.578563  0.342250  0.413643  1
  P  P132  1  0.579742  0.342585  0.747217  1
  P  P133  1  0.912330  0.343129  0.082851  1
  P  P134  1  0.912384  0.340266  0.418207  1
  P  P135  1  0.913657  0.342134  0.753152  1
  P  P136  1  0.005231  0.831138  0.080764  1
  P  P137  1  0.005871  0.840098  0.418853  1
  P  P138  1  0.006279  0.842852  0.753449  1
  P  P139  1  0.332143  0.840778  0.101352  1
  P  P140  1  0.337604  0.845499  0.436340  1
  P  P141  1  0.338061  0.846011  0.769649  1
  P  P142  1  0.672363  0.845527  0.092388  1
  P  P143  1  0.672642  0.844948  0.425017  1
  P  P144  1  0.673039  0.845186  0.758516  1
  P  P145  1  0.071674  0.328208  0.028311  1
  P  P146  1  0.071004  0.326018  0.361753  1
  P  P147  1  0.071442  0.328486  0.695552  1
  P  P148  1  0.403171  0.322553  0.037830  1
  P  P149  1  0.402946  0.323651  0.370761  1
  P  P150  1  0.403786  0.323932  0.704560  1
  P  P151  1  0.739886  0.324016  0.025387  1
  P  P152  1  0.739882  0.322866  0.358318  1
  P  P153  1  0.740809  0.323671  0.691947  1
  P  P154  1  0.168589  0.828333  0.165201  1
  P  P155  1  0.170356  0.826989  0.495919  1
  P  P156  1  0.171282  0.828115  0.830488  1
  P  P157  1  0.504771  0.823555  0.151346  1
  P  P158  1  0.507327  0.823823  0.485581  1
  P  P159  1  0.508070  0.823556  0.818679  1
  P  P160  1  0.842132  0.826563  0.149613  1
  P  P161  1  0.841804  0.825854  0.482837  1
  P  P162  1  0.841505  0.827831  0.816179  1
  P  P163  1  0.171101  0.175133  0.328137  1
  P  P164  1  0.170893  0.176331  0.661665  1
  P  P165  1  0.170281  0.174165  0.995147  1
  P  P166  1  0.507126  0.176775  0.319213  1
  P  P167  1  0.507806  0.177385  0.652321  1
  P  P168  1  0.507536  0.176471  0.985829  1
  P  P169  1  0.841567  0.172631  0.316951  1
  P  P170  1  0.842203  0.174512  0.651112  1
  P  P171  1  0.841614  0.175904  0.983451  1
  P  P172  1  0.070712  0.667711  0.181449  1
  P  P173  1  0.072041  0.673365  0.525851  1
  P  P174  1  0.073232  0.676806  0.863480  1
  P  P175  1  0.399068  0.676508  0.202848  1
  P  P176  1  0.402863  0.677953  0.537790  1
  P  P177  1  0.403577  0.678055  0.871300  1
  P  P178  1  0.738823  0.677813  0.191718  1
  P  P179  1  0.739809  0.677504  0.525249  1
  P  P180  1  0.743053  0.677777  0.859850  1
  P  P181  1  0.004047  0.161104  0.089568  1
  P  P182  1  0.004135  0.159863  0.423300  1
  P  P183  1  0.005168  0.162001  0.756385  1
  P  P184  1  0.335184  0.156045  0.102059  1
  P  P185  1  0.335333  0.158754  0.435613  1
  P  P186  1  0.335322  0.159292  0.769231  1
  P  P187  1  0.670443  0.158695  0.091885  1
  P  P188  1  0.669954  0.158746  0.425090  1
  P  P189  1  0.670312  0.159622  0.758537  1
  P  P190  1  0.230757  0.657439  0.091427  1
  P  P191  1  0.243589  0.661048  0.427898  1
  P  P192  1  0.244976  0.661778  0.761070  1
  P  P193  1  0.577654  0.658580  0.080162  1
  P  P194  1  0.578671  0.659033  0.413731  1
  P  P195  1  0.580524  0.659184  0.747597  1
  P  P196  1  0.905181  0.658089  0.084585  1
  P  P197  1  0.910958  0.659100  0.416738  1
  P  P198  1  0.911417  0.660943  0.751284  1
  P  P199  1  0.244029  0.340012  0.259924  1
  P  P200  1  0.244865  0.340920  0.593839  1
  P  P201  1  0.245709  0.339811  0.927756  1
  P  P202  1  0.579073  0.341258  0.247239  1
  P  P203  1  0.579597  0.341880  0.580676  1
  P  P204  1  0.579403  0.341713  0.913729  1
  P  P205  1  0.910438  0.339423  0.250998  1
  P  P206  1  0.911074  0.341559  0.584867  1
  P  P207  1  0.913190  0.345191  0.918980  1
  P  P208  1  0.007242  0.837690  0.251901  1
  P  P209  1  0.005182  0.840234  0.587678  1
  P  P210  1  0.003144  0.846241  0.918694  1
  P  P211  1  0.333348  0.840775  0.268470  1
  P  P212  1  0.335157  0.842669  0.603010  1
  P  P213  1  0.334610  0.842562  0.936289  1
  P  P214  1  0.668356  0.841254  0.258494  1
  P  P215  1  0.669739  0.841748  0.591865  1
  P  P216  1  0.669246  0.842071  0.925101  1
  P  P217  1  0.072667  0.674683  0.358996  1
  P  P218  1  0.073320  0.676348  0.697772  1
  P  P219  1  0.402931  0.678373  0.040452  1
  P  P220  1  0.403273  0.678606  0.373075  1
  P  P221  1  0.405161  0.678952  0.706849  1
  P  P222  1  0.735152  0.679075  0.026705  1
  P  P223  1  0.737481  0.677638  0.360102  1
  P  P224  1  0.738503  0.678040  0.693830  1
  P  P225  1  0.175184  0.176110  0.158622  1
  P  P226  1  0.175335  0.177302  0.492337  1
  P  P227  1  0.175813  0.177796  0.825948  1
  P  P228  1  0.509665  0.177885  0.149984  1
  P  P229  1  0.510032  0.178612  0.483356  1
  P  P230  1  0.510137  0.178576  0.816641  1
  P  P231  1  0.844358  0.176961  0.147426  1
  P  P232  1  0.843124  0.177442  0.481418  1
  P  P233  1  0.843189  0.179912  0.814694  1
  P  P234  1  0.175641  0.824564  0.327550  1
  P  P235  1  0.175191  0.825059  0.659871  1
  P  P236  1  0.166765  0.816945  0.994532  1
  P  P237  1  0.508393  0.821848  0.316220  1
  P  P238  1  0.510120  0.822313  0.649981  1
  P  P239  1  0.509785  0.821688  0.982941  1
  P  P240  1  0.842634  0.822748  0.313338  1
  P  P241  1  0.843233  0.823675  0.646803  1
  P  P242  1  0.841315  0.824295  0.980249  1
  P  P243  1  0.071208  0.322532  0.197953  1
  P  P244  1  0.072732  0.325140  0.531486  1
  P  P245  1  0.073962  0.327029  0.865241  1
  P  P246  1  0.404628  0.321519  0.206523  1
  P  P247  1  0.404720  0.322565  0.539775  1
  P  P248  1  0.404561  0.321613  0.873328  1
  P  P249  1  0.737717  0.322151  0.193602  1
  P  P250  1  0.738253  0.323174  0.526865  1
  P  P251  1  0.739630  0.324363  0.861381  1
  P  P252  1  0.313930  0.500741  0.028930  1
  P  P253  1  0.312117  0.499432  0.361002  1
  P  P254  1  0.313852  0.500269  0.694718  1
  P  P255  1  0.649498  0.498624  0.011225  1
  P  P256  1  0.648465  0.498618  0.344673  1
  P  P257  1  0.649562  0.498858  0.678329  1
  P  P258  1  0.988005  0.510440  0.024048  1
  P  P259  1  0.980764  0.500510  0.351871  1
  P  P260  1  0.980369  0.501574  0.687006  1
  P  P261  1  0.264180  1.000021  0.171398  1
  P  P262  1  0.265201  0.001829  0.506034  1
  P  P263  1  0.265257  0.002273  0.838786  1
  P  P264  1  0.597857  0.000905  0.162608  1
  P  P265  1  0.599062  0.001198  0.496017  1
  P  P266  1  0.599224  0.001405  0.829341  1
  P  P267  1  0.936840  0.999631  0.155339  1
  P  P268  1  0.934914  0.001856  0.489060  1
  P  P269  1  0.933619  0.005174  0.821300  1
