# generated using pymatgen
data_Fe54P215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.87937874
_cell_length_b   15.90845008
_cell_length_c   19.93305401
_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   5866.72890834
_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  0.034528  0.590963  0.278297  1
  Fe  Fe2  1  0.032985  0.590483  0.610799  1
  Fe  Fe3  1  0.033863  0.590635  0.944299  1
  Fe  Fe4  1  0.365883  0.591173  0.282712  1
  Fe  Fe5  1  0.366507  0.591211  0.615553  1
  Fe  Fe6  1  0.366720  0.590645  0.949347  1
  Fe  Fe7  1  0.700902  0.591261  0.274965  1
  Fe  Fe8  1  0.700383  0.591354  0.608166  1
  Fe  Fe9  1  0.700825  0.591288  0.941449  1
  Fe  Fe10  1  0.218039  0.093222  0.251290  1
  Fe  Fe11  1  0.217060  0.097062  0.579921  1
  Fe  Fe12  1  0.217367  0.097201  0.915343  1
  Fe  Fe13  1  0.551542  0.097415  0.242802  1
  Fe  Fe14  1  0.550933  0.097678  0.576760  1
  Fe  Fe15  1  0.551679  0.097364  0.909696  1
  Fe  Fe16  1  0.886116  0.097238  0.242384  1
  Fe  Fe17  1  0.884636  0.097046  0.575548  1
  Fe  Fe18  1  0.885299  0.097093  0.909074  1
  Fe  Fe19  1  0.217418  0.903915  0.082232  1
  Fe  Fe20  1  0.214866  0.902896  0.417548  1
  Fe  Fe21  1  0.217355  0.904488  0.747562  1
  Fe  Fe22  1  0.551880  0.904131  0.076216  1
  Fe  Fe23  1  0.549250  0.904725  0.409417  1
  Fe  Fe24  1  0.551191  0.904272  0.743278  1
  Fe  Fe25  1  0.885249  0.904596  0.075732  1
  Fe  Fe26  1  0.884635  0.904425  0.408749  1
  Fe  Fe27  1  0.884940  0.904373  0.742180  1
  Fe  Fe28  1  0.034013  0.410926  0.111152  1
  Fe  Fe29  1  0.034058  0.410399  0.443535  1
  Fe  Fe30  1  0.033675  0.410797  0.777681  1
  Fe  Fe31  1  0.366616  0.410259  0.116866  1
  Fe  Fe32  1  0.366201  0.410449  0.448960  1
  Fe  Fe33  1  0.366441  0.410590  0.782549  1
  Fe  Fe34  1  0.701067  0.410276  0.108298  1
  Fe  Fe35  1  0.700482  0.410592  0.441496  1
  Fe  Fe36  1  0.700715  0.410327  0.774702  1
  Fe  Fe37  1  0.286635  0.757304  0.173217  1
  Fe  Fe38  1  0.286882  0.759105  0.505433  1
  Fe  Fe39  1  0.286461  0.757627  0.838861  1
  Fe  Fe40  1  0.622606  0.757157  0.166364  1
  Fe  Fe41  1  0.620501  0.757736  0.499366  1
  Fe  Fe42  1  0.622064  0.757271  0.833163  1
  Fe  Fe43  1  0.955683  0.757599  0.167435  1
  Fe  Fe44  1  0.954917  0.757351  0.500181  1
  Fe  Fe45  1  0.955159  0.757516  0.833746  1
  Fe  Fe46  1  0.286405  0.243732  0.006904  1
  Fe  Fe47  1  0.286621  0.244657  0.341175  1
  Fe  Fe48  1  0.286163  0.243829  0.672592  1
  Fe  Fe49  1  0.622628  0.244224  -0.000305  1
  Fe  Fe50  1  0.621496  0.244446  0.332728  1
  Fe  Fe51  1  0.621981  0.244360  0.666380  1
  Fe  Fe52  1  0.955547  0.243905  0.000779  1
  Fe  Fe53  1  0.955326  0.243908  0.333886  1
  Fe  Fe54  1  0.954915  0.244021  0.667236  1
  P  P55  1  0.138970  0.499234  0.299054  1
  P  P56  1  0.138523  0.499949  0.632370  1
  P  P57  1  0.138918  0.499627  0.965784  1
  P  P58  1  0.471407  0.499918  0.302585  1
  P  P59  1  0.471635  0.499830  0.635663  1
  P  P60  1  0.471921  0.499381  0.969343  1
  P  P61  1  0.806072  0.499873  0.296365  1
  P  P62  1  0.805337  0.499837  0.629304  1
  P  P63  1  0.805888  0.499844  0.962768  1
  P  P64  1  0.111234  1.000405  0.220927  1
  P  P65  1  0.109524  0.001716  0.552516  1
  P  P66  1  0.110307  0.001382  0.886549  1
  P  P67  1  0.444095  0.001660  0.214500  1
  P  P68  1  0.442659  0.002551  0.548726  1
  P  P69  1  0.443653  0.001941  0.882248  1
  P  P70  1  0.777854  0.001902  0.213835  1
  P  P71  1  0.776608  0.001653  0.546931  1
  P  P72  1  0.777505  0.001586  0.880672  1
  P  P73  1  0.110330  0.999716  0.053659  1
  P  P74  1  0.110027  0.999189  0.386040  1
  P  P75  1  0.110071  1.000074  0.719396  1
  P  P76  1  0.443880  0.999629  0.048591  1
  P  P77  1  0.440623  0.999363  0.380885  1
  P  P78  1  0.443334  0.999934  0.715656  1
  P  P79  1  0.777737  1.000006  0.047374  1
  P  P80  1  0.776803  0.999744  0.380188  1
  P  P81  1  0.777131  0.999850  0.713858  1
  P  P82  1  0.138800  0.501998  0.132469  1
  P  P83  1  0.138783  0.502101  0.465603  1
  P  P84  1  0.138614  0.501932  0.799032  1
  P  P85  1  0.471721  0.501362  0.136279  1
  P  P86  1  0.471395  0.502073  0.468975  1
  P  P87  1  0.471792  0.501747  0.802467  1
  P  P88  1  0.805949  0.501789  0.129582  1
  P  P89  1  0.805407  0.502015  0.462791  1
  P  P90  1  0.805696  0.501862  0.796013  1
  P  P91  1  0.314026  0.501132  0.191020  1
  P  P92  1  0.314153  0.501921  0.523614  1
  P  P93  1  0.314265  0.501550  0.857042  1
  P  P94  1  0.649031  0.501879  0.182126  1
  P  P95  1  0.648316  0.502268  0.515167  1
  P  P96  1  0.648873  0.502040  0.848634  1
  P  P97  1  0.981322  0.501385  0.185809  1
  P  P98  1  0.980774  0.501095  0.518735  1
  P  P99  1  0.981097  0.501518  0.852301  1
  P  P100  1  0.264902  0.999277  0.665804  1
  P  P101  1  0.265448  0.999795  0.002598  1
  P  P102  1  0.598150  0.999804  0.329179  1
  P  P103  1  0.598702  0.999810  0.662310  1
  P  P104  1  0.599477  0.999637  0.995642  1
  P  P105  1  0.933338  0.999102  0.327367  1
  P  P106  1  0.933115  0.999203  0.660614  1
  P  P107  1  0.933686  0.999284  0.994105  1
  P  P108  1  0.007228  0.157152  0.259221  1
  P  P109  1  0.005329  0.157727  0.591800  1
  P  P110  1  0.005780  0.157700  0.925125  1
  P  P111  1  0.337055  0.150501  0.268963  1
  P  P112  1  0.337681  0.156117  0.597921  1
  P  P113  1  0.338297  0.155755  0.932647  1
  P  P114  1  0.672476  0.156482  0.259130  1
  P  P115  1  0.672272  0.156356  0.592240  1
  P  P116  1  0.672918  0.156466  0.925612  1
  P  P117  1  0.244088  0.661022  0.257398  1
  P  P118  1  0.244690  0.660805  0.590021  1
  P  P119  1  0.244746  0.660014  0.923573  1
  P  P120  1  0.578854  0.659314  0.249535  1
  P  P121  1  0.578163  0.659395  0.582961  1
  P  P122  1  0.578767  0.659075  0.916389  1
  P  P123  1  0.912790  0.660369  0.252191  1
  P  P124  1  0.911497  0.660086  0.584892  1
  P  P125  1  0.912331  0.660387  0.918688  1
  P  P126  1  0.244139  0.341489  0.090606  1
  P  P127  1  0.244494  0.341076  0.424535  1
  P  P128  1  0.244447  0.341417  0.757161  1
  P  P129  1  0.579156  0.342258  0.082888  1
  P  P130  1  0.578524  0.342491  0.416098  1
  P  P131  1  0.578694  0.342416  0.749593  1
  P  P132  1  0.912493  0.341316  0.085461  1
  P  P133  1  0.912246  0.341275  0.418403  1
  P  P134  1  0.912135  0.341141  0.752169  1
  P  P135  1  0.005352  0.843593  0.091565  1
  P  P136  1  0.005157  0.843864  0.425065  1
  P  P137  1  0.005509  0.843873  0.758305  1
  P  P138  1  0.338394  0.845509  0.099124  1
  P  P139  1  0.336269  0.849399  0.429729  1
  P  P140  1  0.338125  0.845611  0.764442  1
  P  P141  1  0.673051  0.845072  0.092404  1
  P  P142  1  0.671321  0.845400  0.425653  1
  P  P143  1  0.672443  0.845162  0.758950  1
  P  P144  1  0.071913  0.325679  0.029355  1
  P  P145  1  0.072922  0.324026  0.362472  1
  P  P146  1  0.071763  0.325459  0.696041  1
  P  P147  1  0.404119  0.323174  0.035112  1
  P  P148  1  0.404091  0.323670  0.367663  1
  P  P149  1  0.403876  0.323969  0.700921  1
  P  P150  1  0.739451  0.324311  0.027670  1
  P  P151  1  0.738724  0.324335  0.360860  1
  P  P152  1  0.738995  0.324318  0.694194  1
  P  P153  1  0.171510  0.824006  0.156779  1
  P  P154  1  0.171216  0.825212  0.492628  1
  P  P155  1  0.172348  0.825882  0.824444  1
  P  P156  1  0.507619  0.824525  0.152620  1
  P  P157  1  0.505331  0.825252  0.485961  1
  P  P158  1  0.507067  0.824786  0.819748  1
  P  P159  1  0.841112  0.826047  0.152874  1
  P  P160  1  0.840020  0.825750  0.485600  1
  P  P161  1  0.840629  0.825960  0.819333  1
  P  P162  1  0.175264  0.170044  0.327570  1
  P  P163  1  0.172307  0.175323  0.658130  1
  P  P164  1  0.172262  0.175571  0.992154  1
  P  P165  1  0.506517  0.176592  0.319171  1
  P  P166  1  0.506770  0.177085  0.652976  1
  P  P167  1  0.507612  0.176885  0.986128  1
  P  P168  1  0.840769  0.175540  0.319236  1
  P  P169  1  0.840389  0.175495  0.652740  1
  P  P170  1  0.840986  0.175593  0.986250  1
  P  P171  1  0.071752  0.675534  0.195836  1
  P  P172  1  0.071174  0.675171  0.528926  1
  P  P173  1  0.071889  0.675999  0.862529  1
  P  P174  1  0.403893  0.678124  0.201393  1
  P  P175  1  0.403704  0.678226  0.533502  1
  P  P176  1  0.404042  0.677524  0.867318  1
  P  P177  1  0.739460  0.677292  0.194542  1
  P  P178  1  0.738042  0.677658  0.527509  1
  P  P179  1  0.739121  0.677318  0.860962  1
  P  P180  1  0.004377  0.159967  0.092621  1
  P  P181  1  0.003297  0.159635  0.425881  1
  P  P182  1  0.003678  0.159911  0.759028  1
  P  P183  1  0.335267  0.157989  0.100397  1
  P  P184  1  0.336283  0.157833  0.432176  1
  P  P185  1  0.335579  0.158635  0.764992  1
  P  P186  1  0.670493  0.159486  0.092676  1
  P  P187  1  0.669513  0.159544  0.425824  1
  P  P188  1  0.669847  0.159597  0.759215  1
  P  P189  1  0.245520  0.659999  0.090195  1
  P  P190  1  0.245194  0.661658  0.423311  1
  P  P191  1  0.244859  0.660494  0.756552  1
  P  P192  1  0.579303  0.659344  0.083065  1
  P  P193  1  0.577955  0.659913  0.416082  1
  P  P194  1  0.578883  0.659672  0.749771  1
  P  P195  1  0.911961  0.660123  0.085110  1
  P  P196  1  0.911941  0.659989  0.418006  1
  P  P197  1  0.911751  0.660178  0.751584  1
  P  P198  1  0.244922  0.338914  0.257736  1
  P  P199  1  0.244791  0.341369  0.590539  1
  P  P200  1  0.245229  0.340753  0.923826  1
  P  P201  1  0.578149  0.342072  0.249326  1
  P  P202  1  0.578807  0.342094  0.582942  1
  P  P203  1  0.579202  0.341969  0.916262  1
  P  P204  1  0.912552  0.341279  0.251963  1
  P  P205  1  0.911477  0.341300  0.585073  1
  P  P206  1  0.912038  0.341381  0.918568  1
  P  P207  1  0.004446  0.841577  0.259161  1
  P  P208  1  0.003287  0.841269  0.592120  1
  P  P209  1  0.003885  0.841549  0.925632  1
  P  P210  1  0.334671  0.845365  0.266066  1
  P  P211  1  0.335743  0.843699  0.597181  1
  P  P212  1  0.335879  0.842701  0.931773  1
  P  P213  1  0.669897  0.842283  0.259387  1
  P  P214  1  0.669048  0.842274  0.592339  1
  P  P215  1  0.669977  0.841990  0.925946  1
  P  P216  1  0.072607  0.677360  0.031729  1
  P  P217  1  0.073629  0.679148  0.364654  1
  P  P218  1  0.071900  0.677230  0.698274  1
  P  P219  1  0.405000  0.678699  0.036508  1
  P  P220  1  0.403736  0.680217  0.369318  1
  P  P221  1  0.404738  0.679172  0.702591  1
  P  P222  1  0.738746  0.678055  0.029769  1
  P  P223  1  0.738238  0.678392  0.363219  1
  P  P224  1  0.738355  0.678210  0.696369  1
  P  P225  1  0.176486  0.176587  0.157300  1
  P  P226  1  0.174786  0.179011  0.489427  1
  P  P227  1  0.175923  0.177741  0.822605  1
  P  P228  1  0.510036  0.178645  0.150056  1
  P  P229  1  0.509699  0.178971  0.483702  1
  P  P230  1  0.509795  0.178820  0.817153  1
  P  P231  1  0.843876  0.178136  0.150342  1
  P  P232  1  0.842676  0.178140  0.483354  1
  P  P233  1  0.843052  0.177994  0.816912  1
  P  P234  1  0.178246  0.829403  0.321641  1
  P  P235  1  0.175484  0.823612  0.655511  1
  P  P236  1  0.176318  0.823724  0.988660  1
  P  P237  1  0.509004  0.823132  0.316663  1
  P  P238  1  0.509554  0.823087  0.650570  1
  P  P239  1  0.510013  0.822660  0.983801  1
  P  P240  1  0.843061  0.823369  0.316551  1
  P  P241  1  0.842588  0.823527  0.649868  1
  P  P242  1  0.843113  0.823529  0.983486  1
  P  P243  1  0.072597  0.323841  0.198459  1
  P  P244  1  0.071821  0.324642  0.531906  1
  P  P245  1  0.072438  0.324230  0.865287  1
  P  P246  1  0.403359  0.320523  0.203585  1
  P  P247  1  0.404549  0.322691  0.536248  1
  P  P248  1  0.404700  0.322548  0.869971  1
  P  P249  1  0.738854  0.323380  0.196547  1
  P  P250  1  0.738189  0.323531  0.529621  1
  P  P251  1  0.738741  0.323558  0.862995  1
  P  P252  1  0.314628  0.499468  0.023953  1
  P  P253  1  0.313932  0.499891  0.357156  1
  P  P254  1  0.314262  0.500231  0.690328  1
  P  P255  1  0.649072  0.499463  0.015343  1
  P  P256  1  0.648555  0.499712  0.348555  1
  P  P257  1  0.648596  0.499654  0.681955  1
  P  P258  1  0.981262  0.500182  0.019057  1
  P  P259  1  0.981975  0.500126  0.352408  1
  P  P260  1  0.980794  0.499883  0.685517  1
  P  P261  1  0.264748  1.000068  0.171256  1
  P  P262  1  0.263753  0.003664  0.496152  1
  P  P263  1  0.265296  0.001828  0.834459  1
  P  P264  1  0.599662  0.001882  0.162340  1
  P  P265  1  0.597651  0.002113  0.495321  1
  P  P266  1  0.599195  0.001956  0.828990  1
  P  P267  1  0.934246  0.002366  0.160895  1
  P  P268  1  0.932703  0.002129  0.494024  1
  P  P269  1  0.933429  0.002268  0.827356  1
