# generated using pymatgen
data_Fe54P215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.88204491
_cell_length_b   15.91374929
_cell_length_c   19.92743837
_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   5867.85835018
_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  0.033541  0.591098  0.278866  1
  Fe  Fe2  1  0.032977  0.591126  0.611694  1
  Fe  Fe3  1  0.033701  0.591836  0.944666  1
  Fe  Fe4  1  0.366465  0.576876  0.264303  1
  Fe  Fe5  1  0.367171  0.589987  0.605034  1
  Fe  Fe6  1  0.367429  0.589737  0.941162  1
  Fe  Fe7  1  0.698072  0.590920  0.283357  1
  Fe  Fe8  1  0.699279  0.590492  0.617290  1
  Fe  Fe9  1  0.700049  0.590821  0.950826  1
  Fe  Fe10  1  0.219954  0.096583  0.239406  1
  Fe  Fe11  1  0.219078  0.096163  0.572971  1
  Fe  Fe12  1  0.218972  0.097656  0.906833  1
  Fe  Fe13  1  0.549540  0.097241  0.246665  1
  Fe  Fe14  1  0.550616  0.097180  0.580871  1
  Fe  Fe15  1  0.550508  0.098416  0.915438  1
  Fe  Fe16  1  0.883775  0.097013  0.246997  1
  Fe  Fe17  1  0.883889  0.097315  0.580433  1
  Fe  Fe18  1  0.884084  0.097476  0.913690  1
  Fe  Fe19  1  0.218832  0.904210  0.072209  1
  Fe  Fe20  1  0.219507  0.903042  0.404523  1
  Fe  Fe21  1  0.219010  0.904452  0.739119  1
  Fe  Fe22  1  0.549597  0.904164  0.082821  1
  Fe  Fe23  1  0.550284  0.904041  0.414008  1
  Fe  Fe24  1  0.550452  0.904812  0.747990  1
  Fe  Fe25  1  0.884233  0.903937  0.080645  1
  Fe  Fe26  1  0.883586  0.903688  0.413789  1
  Fe  Fe27  1  0.883809  0.904005  0.747090  1
  Fe  Fe28  1  0.037980  0.411104  0.112625  1
  Fe  Fe29  1  0.033161  0.409830  0.444877  1
  Fe  Fe30  1  0.033484  0.410344  0.778020  1
  Fe  Fe31  1  0.360502  0.427516  0.116292  1
  Fe  Fe32  1  0.366653  0.409142  0.437945  1
  Fe  Fe33  1  0.367432  0.410630  0.774979  1
  Fe  Fe34  1  0.701155  0.411054  0.117499  1
  Fe  Fe35  1  0.699735  0.411099  0.450819  1
  Fe  Fe36  1  0.699625  0.411352  0.783826  1
  Fe  Fe37  1  0.290185  0.756808  0.160711  1
  Fe  Fe38  1  0.290524  0.755690  0.495374  1
  Fe  Fe39  1  0.290433  0.757428  0.829803  1
  Fe  Fe40  1  0.619246  0.758111  0.172993  1
  Fe  Fe41  1  0.618160  0.757018  0.505620  1
  Fe  Fe42  1  0.618877  0.758315  0.839480  1
  Fe  Fe43  1  0.955091  0.756974  0.170429  1
  Fe  Fe44  1  0.953463  0.756776  0.503780  1
  Fe  Fe45  1  0.954019  0.757001  0.837148  1
  Fe  Fe46  1  0.288899  0.247096  -0.000691  1
  Fe  Fe47  1  0.289332  0.244255  0.330574  1
  Fe  Fe48  1  0.289210  0.243947  0.664538  1
  Fe  Fe49  1  0.621331  0.243190  0.005148  1
  Fe  Fe50  1  0.619000  0.243722  0.338625  1
  Fe  Fe51  1  0.619478  0.243760  0.672266  1
  Fe  Fe52  1  0.954800  0.244063  0.003127  1
  Fe  Fe53  1  0.953849  0.243583  0.336854  1
  Fe  Fe54  1  0.954369  0.244168  0.670153  1
  P  P55  1  0.138320  0.499122  0.299941  1
  P  P56  1  0.138610  0.499861  0.632013  1
  P  P57  1  0.139337  0.500689  0.965103  1
  P  P58  1  0.474153  0.498257  0.295573  1
  P  P59  1  0.471694  0.498980  0.628090  1
  P  P60  1  0.472397  0.499589  0.962074  1
  P  P61  1  0.804576  0.500017  0.304180  1
  P  P62  1  0.804444  0.499570  0.637290  1
  P  P63  1  0.805639  0.499935  0.970849  1
  P  P64  1  0.111510  0.001082  0.211989  1
  P  P65  1  0.111038  0.000764  0.545057  1
  P  P66  1  0.111036  0.001893  0.878846  1
  P  P67  1  0.442910  0.000577  0.219708  1
  P  P68  1  0.443411  0.001396  0.552558  1
  P  P69  1  0.443108  0.003182  0.886088  1
  P  P70  1  0.775922  0.001516  0.218995  1
  P  P71  1  0.776329  0.001402  0.552612  1
  P  P72  1  0.776525  0.001656  0.885868  1
  P  P73  1  0.111012  0.999590  0.045459  1
  P  P74  1  0.111258  0.997709  0.377911  1
  P  P75  1  0.110727  0.999116  0.711827  1
  P  P76  1  0.443139  0.001378  0.053289  1
  P  P77  1  0.443680  1.000248  0.386153  1
  P  P78  1  0.443533  0.000800  0.719277  1
  P  P79  1  0.776511  0.999744  0.052561  1
  P  P80  1  0.776135  0.999441  0.385784  1
  P  P81  1  0.776410  0.999946  0.719270  1
  P  P82  1  0.144172  0.500482  0.133365  1
  P  P83  1  0.138293  0.501566  0.465708  1
  P  P84  1  0.138630  0.502094  0.798364  1
  P  P85  1  0.474690  0.499792  0.128339  1
  P  P86  1  0.471733  0.500077  0.461187  1
  P  P87  1  0.472106  0.501317  0.795304  1
  P  P88  1  0.806145  0.501853  0.137711  1
  P  P89  1  0.804725  0.501907  0.470802  1
  P  P90  1  0.804815  0.502220  0.803929  1
  P  P91  1  0.314759  0.501347  0.511540  1
  P  P92  1  0.314755  0.501811  0.848928  1
  P  P93  1  0.647744  0.500954  0.191974  1
  P  P94  1  0.646265  0.501376  0.525093  1
  P  P95  1  0.646990  0.501983  0.858505  1
  P  P96  1  0.983794  0.501824  0.185442  1
  P  P97  1  0.981637  0.501755  0.518870  1
  P  P98  1  0.982013  0.502114  0.852348  1
  P  P99  1  0.268164  0.997723  0.323574  1
  P  P100  1  0.267349  0.999035  0.658038  1
  P  P101  1  0.267324  1.000056  0.991566  1
  P  P102  1  0.598703  0.999062  0.333488  1
  P  P103  1  0.598992  0.999714  0.667276  1
  P  P104  1  0.598418  1.000196  0.001030  1
  P  P105  1  0.931502  0.999244  0.333805  1
  P  P106  1  0.931558  0.999869  0.667321  1
  P  P107  1  0.931812  0.999960  0.000705  1
  P  P108  1  0.005486  0.154965  0.263573  1
  P  P109  1  0.005479  0.155229  0.596636  1
  P  P110  1  0.005729  0.155593  0.929897  1
  P  P111  1  0.339812  0.159263  0.255334  1
  P  P112  1  0.339236  0.157502  0.589316  1
  P  P113  1  0.338881  0.159823  0.923659  1
  P  P114  1  0.670599  0.156680  0.264253  1
  P  P115  1  0.671378  0.156725  0.597802  1
  P  P116  1  0.671954  0.156543  0.931460  1
  P  P117  1  0.247583  0.650131  0.241275  1
  P  P118  1  0.245937  0.658476  0.578862  1
  P  P119  1  0.246711  0.660349  0.914170  1
  P  P120  1  0.575859  0.660084  0.256869  1
  P  P121  1  0.577366  0.660778  0.591502  1
  P  P122  1  0.577942  0.661360  0.925019  1
  P  P123  1  0.911770  0.658808  0.252988  1
  P  P124  1  0.910616  0.658713  0.586540  1
  P  P125  1  0.911280  0.658836  0.920085  1
  P  P126  1  0.245466  0.345334  0.083515  1
  P  P127  1  0.245307  0.341633  0.414008  1
  P  P128  1  0.246137  0.341978  0.748967  1
  P  P129  1  0.580171  0.339442  0.090681  1
  P  P130  1  0.578497  0.340176  0.424428  1
  P  P131  1  0.578163  0.340691  0.757749  1
  P  P132  1  0.913468  0.342622  0.086774  1
  P  P133  1  0.911051  0.341953  0.419821  1
  P  P134  1  0.911362  0.342358  0.753279  1
  P  P135  1  0.005763  0.845856  0.097130  1
  P  P136  1  0.004979  0.845455  0.430586  1
  P  P137  1  0.005250  0.845867  0.763815  1
  P  P138  1  0.339020  0.842224  0.086620  1
  P  P139  1  0.340279  0.841970  0.420423  1
  P  P140  1  0.339528  0.843404  0.754377  1
  P  P141  1  0.671089  0.845264  0.098540  1
  P  P142  1  0.670725  0.844366  0.431431  1
  P  P143  1  0.671147  0.845166  0.764968  1
  P  P144  1  0.072488  0.323531  0.030849  1
  P  P145  1  0.071407  0.322626  0.364423  1
  P  P146  1  0.071877  0.323449  0.697436  1
  P  P147  1  0.403917  0.329569  0.031547  1
  P  P148  1  0.407049  0.323143  0.360903  1
  P  P149  1  0.405878  0.325125  0.694047  1
  P  P150  1  0.738559  0.324641  0.035239  1
  P  P151  1  0.736645  0.324505  0.368027  1
  P  P152  1  0.736842  0.324853  0.701410  1
  P  P153  1  0.175173  0.823770  0.148782  1
  P  P154  1  0.175251  0.823425  0.481098  1
  P  P155  1  0.175016  0.825036  0.815577  1
  P  P156  1  0.503079  0.823808  0.158404  1
  P  P157  1  0.505368  0.826882  0.491551  1
  P  P158  1  0.505106  0.827423  0.824971  1
  P  P159  1  0.839888  0.824473  0.156761  1
  P  P160  1  0.838998  0.824354  0.489902  1
  P  P161  1  0.839431  0.824675  0.823338  1
  P  P162  1  0.175148  0.175324  0.316529  1
  P  P163  1  0.174815  0.175745  0.650397  1
  P  P164  1  0.174818  0.177023  0.983952  1
  P  P165  1  0.505948  0.174160  0.324879  1
  P  P166  1  0.505584  0.175125  0.657910  1
  P  P167  1  0.505030  0.177310  0.992187  1
  P  P168  1  0.839150  0.176386  0.323047  1
  P  P169  1  0.839519  0.176849  0.656597  1
  P  P170  1  0.840024  0.176956  0.989975  1
  P  P171  1  0.072810  0.677249  0.198009  1
  P  P172  1  0.071154  0.678055  0.531254  1
  P  P173  1  0.071910  0.678340  0.864359  1
  P  P174  1  0.401376  0.663285  0.186439  1
  P  P175  1  0.406487  0.674782  0.523324  1
  P  P176  1  0.406186  0.675174  0.857830  1
  P  P177  1  0.736883  0.676950  0.201906  1
  P  P178  1  0.735986  0.676659  0.534640  1
  P  P179  1  0.736735  0.677347  0.868475  1
  P  P180  1  0.003129  0.158835  0.096753  1
  P  P181  1  0.002451  0.158213  0.430019  1
  P  P182  1  0.002711  0.159010  0.763316  1
  P  P183  1  0.335915  0.161906  0.090591  1
  P  P184  1  0.336687  0.159330  0.423089  1
  P  P185  1  0.337204  0.160523  0.757190  1
  P  P186  1  0.669218  0.158925  0.098610  1
  P  P187  1  0.669289  0.158864  0.431340  1
  P  P188  1  0.669267  0.159425  0.764916  1
  P  P189  1  0.244552  0.657976  0.079017  1
  P  P190  1  0.246113  0.657173  0.410653  1
  P  P191  1  0.245602  0.659273  0.746666  1
  P  P192  1  0.578615  0.660886  0.090891  1
  P  P193  1  0.575942  0.660324  0.423596  1
  P  P194  1  0.577335  0.661319  0.757713  1
  P  P195  1  0.912750  0.659740  0.086778  1
  P  P196  1  0.911582  0.659544  0.419819  1
  P  P197  1  0.912122  0.659847  0.753435  1
  P  P198  1  0.244957  0.343960  0.247290  1
  P  P199  1  0.245389  0.341711  0.581346  1
  P  P200  1  0.245267  0.343604  0.916159  1
  P  P201  1  0.577228  0.340436  0.256543  1
  P  P202  1  0.577620  0.340522  0.590359  1
  P  P203  1  0.579080  0.340971  0.923833  1
  P  P204  1  0.912541  0.341571  0.253231  1
  P  P205  1  0.912251  0.341490  0.586684  1
  P  P206  1  0.912571  0.341900  0.920070  1
  P  P207  1  0.003566  0.841994  0.263890  1
  P  P208  1  0.002105  0.842216  0.597189  1
  P  P209  1  0.002290  0.842441  0.930384  1
  P  P210  1  0.337762  0.836135  0.253446  1
  P  P211  1  0.337331  0.840095  0.588004  1
  P  P212  1  0.337811  0.841710  0.921557  1
  P  P213  1  0.668177  0.841840  0.264992  1
  P  P214  1  0.668877  0.842090  0.598332  1
  P  P215  1  0.669343  0.842823  0.931925  1
  P  P216  1  0.071495  0.679049  0.032972  1
  P  P217  1  0.071288  0.678693  0.366704  1
  P  P218  1  0.071147  0.678990  0.699484  1
  P  P219  1  0.407557  0.678315  0.026095  1
  P  P220  1  0.404103  0.672639  0.356202  1
  P  P221  1  0.405462  0.676366  0.693159  1
  P  P222  1  0.738726  0.678582  0.037784  1
  P  P223  1  0.737121  0.678339  0.370434  1
  P  P224  1  0.737940  0.678351  0.704187  1
  P  P225  1  0.177067  0.178644  0.147834  1
  P  P226  1  0.176684  0.177762  0.481062  1
  P  P227  1  0.176783  0.179106  0.814981  1
  P  P228  1  0.506069  0.179989  0.156241  1
  P  P229  1  0.508615  0.177303  0.488577  1
  P  P230  1  0.508940  0.178120  0.822349  1
  P  P231  1  0.843226  0.178416  0.153920  1
  P  P232  1  0.842670  0.178194  0.487379  1
  P  P233  1  0.842842  0.178515  0.820736  1
  P  P234  1  0.179008  0.819492  0.312024  1
  P  P235  1  0.177032  0.822448  0.646285  1
  P  P236  1  0.176541  0.823387  0.979596  1
  P  P237  1  0.507990  0.823317  0.322188  1
  P  P238  1  0.508672  0.824635  0.655454  1
  P  P239  1  0.509420  0.825804  0.988906  1
  P  P240  1  0.842421  0.822621  0.320673  1
  P  P241  1  0.842411  0.822890  0.654151  1
  P  P242  1  0.842941  0.822996  0.987606  1
  P  P243  1  0.072003  0.322000  0.199950  1
  P  P244  1  0.071290  0.322203  0.532713  1
  P  P245  1  0.071476  0.322961  0.865991  1
  P  P246  1  0.401836  0.334568  0.197713  1
  P  P247  1  0.404873  0.324501  0.528759  1
  P  P248  1  0.406054  0.325405  0.864526  1
  P  P249  1  0.738980  0.322915  0.204399  1
  P  P250  1  0.738455  0.323125  0.537384  1
  P  P251  1  0.738795  0.323545  0.870612  1
  P  P252  1  0.315992  0.503016  0.019877  1
  P  P253  1  0.316218  0.495821  0.341627  1
  P  P254  1  0.315149  0.499250  0.680473  1
  P  P255  1  0.647586  0.500091  0.025304  1
  P  P256  1  0.647083  0.500096  0.358658  1
  P  P257  1  0.646324  0.500255  0.691798  1
  P  P258  1  0.983799  0.499656  0.019652  1
  P  P259  1  0.981426  0.499158  0.352194  1
  P  P260  1  0.981583  0.499451  0.685546  1
  P  P261  1  0.267579  0.001240  0.157887  1
  P  P262  1  0.267004  0.000864  0.490777  1
  P  P263  1  0.266897  0.002612  0.824706  1
  P  P264  1  0.597537  0.002067  0.167133  1
  P  P265  1  0.598983  0.001897  0.500425  1
  P  P266  1  0.598681  0.002585  0.834326  1
  P  P267  1  0.931936  0.001251  0.167464  1
  P  P268  1  0.931474  0.001192  0.500644  1
  P  P269  1  0.931772  0.001589  0.833966  1
