# generated using pymatgen
data_Fe54P215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.88418337
_cell_length_b   15.92409026
_cell_length_c   19.93926432
_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   5875.82129307
_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  0.019256  0.603529  0.206290  1
  Fe  Fe2  1  0.029632  0.596779  0.538842  1
  Fe  Fe3  1  0.030391  0.596453  0.872660  1
  Fe  Fe4  1  0.354570  0.596308  0.311143  1
  Fe  Fe5  1  0.357287  0.596940  0.645601  1
  Fe  Fe6  1  0.357724  0.596547  0.979032  1
  Fe  Fe7  1  0.692437  0.596759  0.260008  1
  Fe  Fe8  1  0.693560  0.596731  0.592997  1
  Fe  Fe9  1  0.694024  0.596838  0.926423  1
  Fe  Fe10  1  0.217669  0.096577  0.310715  1
  Fe  Fe11  1  0.218359  0.096468  0.643897  1
  Fe  Fe12  1  0.218828  0.096112  0.976744  1
  Fe  Fe13  1  0.553629  0.096923  0.254578  1
  Fe  Fe14  1  0.554166  0.096624  0.588093  1
  Fe  Fe15  1  0.554808  0.096788  0.921309  1
  Fe  Fe16  1  0.890617  0.097381  0.203017  1
  Fe  Fe17  1  0.890570  0.096850  0.536532  1
  Fe  Fe18  1  0.891323  0.096741  0.870122  1
  Fe  Fe19  1  0.217836  0.904215  0.144161  1
  Fe  Fe20  1  0.217801  0.903873  0.476916  1
  Fe  Fe21  1  0.218617  0.903856  0.810550  1
  Fe  Fe22  1  0.553986  0.903664  0.088071  1
  Fe  Fe23  1  0.553662  0.903485  0.421329  1
  Fe  Fe24  1  0.554645  0.903623  0.754878  1
  Fe  Fe25  1  0.890890  0.903893  0.036156  1
  Fe  Fe26  1  0.889888  0.904047  0.369914  1
  Fe  Fe27  1  0.891190  0.903658  0.703583  1
  Fe  Fe28  1  0.029315  0.403388  0.036920  1
  Fe  Fe29  1  0.028487  0.403329  0.373795  1
  Fe  Fe30  1  0.029969  0.403890  0.705381  1
  Fe  Fe31  1  0.358431  0.403651  0.145704  1
  Fe  Fe32  1  0.357561  0.403390  0.479846  1
  Fe  Fe33  1  0.357580  0.403720  0.812423  1
  Fe  Fe34  1  0.694188  0.404009  0.092983  1
  Fe  Fe35  1  0.693018  0.403809  0.426170  1
  Fe  Fe36  1  0.693848  0.403682  0.759536  1
  Fe  Fe37  1  0.284368  0.749758  0.229445  1
  Fe  Fe38  1  0.285437  0.749963  0.561706  1
  Fe  Fe39  1  0.286197  0.749964  0.895800  1
  Fe  Fe40  1  0.622151  0.750375  0.173693  1
  Fe  Fe41  1  0.623504  0.750159  0.507093  1
  Fe  Fe42  1  0.624317  0.750317  0.840648  1
  Fe  Fe43  1  0.961869  0.751073  0.120003  1
  Fe  Fe44  1  0.961795  0.750437  0.453735  1
  Fe  Fe45  1  0.962898  0.750094  0.787400  1
  Fe  Fe46  1  0.287045  0.248691  0.061054  1
  Fe  Fe47  1  0.285347  0.250569  0.396047  1
  Fe  Fe48  1  0.286017  0.250423  0.729047  1
  Fe  Fe49  1  0.624460  0.250141  0.006954  1
  Fe  Fe50  1  0.623089  0.250287  0.340377  1
  Fe  Fe51  1  0.623858  0.250083  0.673666  1
  Fe  Fe52  1  0.962859  0.250334  0.953495  1
  Fe  Fe53  1  0.961758  0.250490  0.287038  1
  Fe  Fe54  1  0.962334  0.250140  0.619975  1
  P  P55  1  0.135590  0.499173  0.555137  1
  P  P56  1  0.135942  0.498604  0.889944  1
  P  P57  1  0.466205  0.503864  0.329377  1
  P  P58  1  0.468004  0.504014  0.663460  1
  P  P59  1  0.468134  0.503519  0.996944  1
  P  P60  1  0.802267  0.504431  0.277358  1
  P  P61  1  0.802803  0.503808  0.610915  1
  P  P62  1  0.802901  0.503634  0.944233  1
  P  P63  1  0.111897  0.999427  0.293177  1
  P  P64  1  0.112443  0.999081  0.626651  1
  P  P65  1  0.112720  0.998924  0.959559  1
  P  P66  1  0.445049  0.003576  0.236598  1
  P  P67  1  0.445077  0.003586  0.570084  1
  P  P68  1  0.445646  0.003836  0.903303  1
  P  P69  1  0.780047  0.004211  0.185074  1
  P  P70  1  0.779844  0.003880  0.518733  1
  P  P71  1  0.780711  0.003916  0.852094  1
  P  P72  1  0.112143  0.001490  0.126414  1
  P  P73  1  0.112051  0.001603  0.459948  1
  P  P74  1  0.112752  0.001285  0.793133  1
  P  P75  1  0.445271  0.996928  0.069933  1
  P  P76  1  0.444377  0.996185  0.403228  1
  P  P77  1  0.445515  0.996587  0.736754  1
  P  P78  1  0.780335  0.997060  0.018347  1
  P  P79  1  0.779295  0.996786  0.351925  1
  P  P80  1  0.780397  0.996511  0.685523  1
  P  P81  1  0.136840  0.499567  0.057533  1
  P  P82  1  0.135116  0.501455  0.387011  1
  P  P83  1  0.135867  0.501395  0.722549  1
  P  P84  1  0.467058  0.497010  0.163690  1
  P  P85  1  0.468269  0.496485  0.496971  1
  P  P86  1  0.468146  0.496701  0.830178  1
  P  P87  1  0.803333  0.496695  0.110875  1
  P  P88  1  0.802362  0.496829  0.444018  1
  P  P89  1  0.802966  0.496738  0.777593  1
  P  P90  1  0.306420  0.501965  0.216517  1
  P  P91  1  0.310693  0.503052  0.551179  1
  P  P92  1  0.310870  0.502808  0.884202  1
  P  P93  1  0.645189  0.503364  0.165134  1
  P  P94  1  0.645662  0.503331  0.498609  1
  P  P95  1  0.645924  0.503295  0.831911  1
  P  P96  1  0.981741  0.503989  0.112385  1
  P  P97  1  0.979254  0.504236  0.443639  1
  P  P98  1  0.979885  0.503584  0.777467  1
  P  P99  1  0.268136  0.003818  0.405506  1
  P  P100  1  0.269039  0.003718  0.738868  1
  P  P101  1  0.268889  0.003328  0.072142  1
  P  P102  1  0.601387  0.003231  0.348943  1
  P  P103  1  0.602359  0.003134  0.682347  1
  P  P104  1  0.602495  0.003307  0.015764  1
  P  P105  1  0.936617  0.003519  0.297894  1
  P  P106  1  0.937331  0.002903  0.631404  1
  P  P107  1  0.938155  0.002985  0.964965  1
  P  P108  1  0.011745  0.157296  0.221287  1
  P  P109  1  0.011767  0.156453  0.554560  1
  P  P110  1  0.012235  0.156521  0.887905  1
  P  P111  1  0.338235  0.156240  0.326939  1
  P  P112  1  0.338928  0.156087  0.660334  1
  P  P113  1  0.339602  0.155572  0.993334  1
  P  P114  1  0.673356  0.156259  0.271549  1
  P  P115  1  0.673862  0.155825  0.604773  1
  P  P116  1  0.674432  0.156114  0.938164  1
  P  P117  1  0.231445  0.652218  0.291657  1
  P  P118  1  0.236117  0.656528  0.627437  1
  P  P119  1  0.236431  0.656314  0.960531  1
  P  P120  1  0.572570  0.656108  0.242615  1
  P  P121  1  0.573955  0.656129  0.576317  1
  P  P122  1  0.574390  0.656223  0.909442  1
  P  P123  1  0.905412  0.657211  0.188541  1
  P  P124  1  0.908989  0.656072  0.522614  1
  P  P125  1  0.909761  0.655823  0.856004  1
  P  P126  1  0.238315  0.340667  0.126740  1
  P  P127  1  0.235762  0.344498  0.461294  1
  P  P128  1  0.236380  0.343959  0.794309  1
  P  P129  1  0.574578  0.344185  0.075975  1
  P  P130  1  0.573374  0.344499  0.409278  1
  P  P131  1  0.574183  0.344271  0.742660  1
  P  P132  1  0.909727  0.345025  0.022717  1
  P  P133  1  0.908251  0.345037  0.355339  1
  P  P134  1  0.909372  0.344520  0.688856  1
  P  P135  1  0.012102  0.843024  0.055257  1
  P  P136  1  0.010933  0.844568  0.388177  1
  P  P137  1  0.012132  0.843702  0.721526  1
  P  P138  1  0.338439  0.844491  0.160811  1
  P  P139  1  0.338403  0.844358  0.493429  1
  P  P140  1  0.339208  0.844204  0.826992  1
  P  P141  1  0.673549  0.844601  0.105082  1
  P  P142  1  0.673228  0.844428  0.438167  1
  P  P143  1  0.674308  0.844436  0.771676  1
  P  P144  1  0.080263  0.324285  0.968362  1
  P  P145  1  0.078221  0.325550  0.302154  1
  P  P146  1  0.079373  0.324864  0.635133  1
  P  P147  1  0.406034  0.322105  0.074824  1
  P  P148  1  0.404904  0.322121  0.408476  1
  P  P149  1  0.405478  0.322385  0.741649  1
  P  P150  1  0.741199  0.322480  0.021538  1
  P  P151  1  0.740035  0.322437  0.354762  1
  P  P152  1  0.740937  0.322113  0.688189  1
  P  P153  1  0.167784  0.824692  0.213720  1
  P  P154  1  0.168607  0.824951  0.547346  1
  P  P155  1  0.169160  0.824772  0.880670  1
  P  P156  1  0.506125  0.822748  0.159357  1
  P  P157  1  0.506528  0.822069  0.492788  1
  P  P158  1  0.507346  0.822357  0.826181  1
  P  P159  1  0.842498  0.823028  0.107099  1
  P  P160  1  0.842290  0.822384  0.440893  1
  P  P161  1  0.843326  0.822012  0.774234  1
  P  P162  1  0.168224  0.176053  0.380661  1
  P  P163  1  0.168968  0.175627  0.713989  1
  P  P164  1  0.169187  0.174592  0.047045  1
  P  P165  1  0.506256  0.178127  0.325890  1
  P  P166  1  0.507032  0.177939  0.659452  1
  P  P167  1  0.507585  0.178091  0.992633  1
  P  P168  1  0.842316  0.178591  0.273785  1
  P  P169  1  0.842836  0.178327  0.607310  1
  P  P170  1  0.843548  0.178559  0.940795  1
  P  P171  1  0.079375  0.672884  0.137993  1
  P  P172  1  0.079012  0.675816  0.468658  1
  P  P173  1  0.079776  0.675296  0.802338  1
  P  P174  1  0.403467  0.677243  0.241080  1
  P  P175  1  0.404968  0.678083  0.574414  1
  P  P176  1  0.405603  0.677888  0.908102  1
  P  P177  1  0.738815  0.678741  0.188463  1
  P  P178  1  0.740581  0.678380  0.521720  1
  P  P179  1  0.741265  0.678216  0.855139  1
  P  P180  1  0.000306  0.164295  0.053728  1
  P  P181  1  0.999101  0.163568  0.386747  1
  P  P182  1  -0.000126  0.163343  0.719971  1
  P  P183  1  0.336187  0.162305  0.159599  1
  P  P184  1  0.334864  0.163304  0.493129  1
  P  P185  1  0.335445  0.163374  0.826442  1
  P  P186  1  0.669150  0.162665  0.105114  1
  P  P187  1  0.668122  0.162653  0.438317  1
  P  P188  1  0.668958  0.162522  0.771665  1
  P  P189  1  0.249029  0.665248  0.127119  1
  P  P190  1  0.247853  0.663360  0.461329  1
  P  P191  1  0.248719  0.663447  0.795427  1
  P  P192  1  0.578971  0.662772  0.075531  1
  P  P193  1  0.578511  0.662509  0.409308  1
  P  P194  1  0.579538  0.662722  0.742659  1
  P  P195  1  0.912848  0.662820  0.023050  1
  P  P196  1  0.911365  0.663198  0.356485  1
  P  P197  1  0.913231  0.662999  0.689919  1
  P  P198  1  0.247694  0.337025  0.296244  1
  P  P199  1  0.248408  0.337075  0.629007  1
  P  P200  1  0.249154  0.336495  0.961783  1
  P  P201  1  0.578172  0.337953  0.242265  1
  P  P202  1  0.579137  0.337543  0.575685  1
  P  P203  1  0.579565  0.337815  0.909074  1
  P  P204  1  0.912843  0.337724  0.189568  1
  P  P205  1  0.912880  0.337434  0.522636  1
  P  P206  1  0.913234  0.337442  0.856220  1
  P  P207  1  0.998593  0.839303  0.219904  1
  P  P208  1  -0.000489  0.837232  0.553494  1
  P  P209  1  0.000309  0.836588  0.887332  1
  P  P210  1  0.333069  0.835787  0.326448  1
  P  P211  1  0.335130  0.837087  0.659466  1
  P  P212  1  0.335347  0.836809  0.993374  1
  P  P213  1  0.667322  0.837797  0.271931  1
  P  P214  1  0.668559  0.837847  0.605076  1
  P  P215  1  0.669134  0.837895  0.938677  1
  P  P216  1  0.069396  0.673613  0.971366  1
  P  P217  1  0.065557  0.677024  0.304159  1
  P  P218  1  0.068736  0.674419  0.636718  1
  P  P219  1  0.405963  0.672932  0.075658  1
  P  P220  1  0.404225  0.672791  0.408594  1
  P  P221  1  0.405437  0.673136  0.742329  1
  P  P222  1  0.738811  0.673694  0.023694  1
  P  P223  1  0.737297  0.673794  0.356850  1
  P  P224  1  0.738634  0.673664  0.690077  1
  P  P225  1  0.179396  0.174356  0.212531  1
  P  P226  1  0.179380  0.174320  0.546001  1
  P  P227  1  0.179717  0.173941  0.878979  1
  P  P228  1  0.509622  0.173476  0.157412  1
  P  P229  1  0.509011  0.173256  0.490922  1
  P  P230  1  0.509689  0.173502  0.824286  1
  P  P231  1  0.842993  0.173744  0.106173  1
  P  P232  1  0.842416  0.173429  0.439539  1
  P  P233  1  0.843360  0.173159  0.773064  1
  P  P234  1  0.178477  0.826050  0.379034  1
  P  P235  1  0.179642  0.826170  0.712648  1
  P  P236  1  0.179101  0.826746  0.045682  1
  P  P237  1  0.507792  0.826468  0.324349  1
  P  P238  1  0.509415  0.826779  0.657789  1
  P  P239  1  0.509344  0.827092  0.990875  1
  P  P240  1  0.841870  0.827642  0.273180  1
  P  P241  1  0.843026  0.827160  0.606651  1
  P  P242  1  0.843352  0.827294  0.939636  1
  P  P243  1  0.070208  0.328086  0.137042  1
  P  P244  1  0.068399  0.326036  0.470137  1
  P  P245  1  0.068903  0.325999  0.803173  1
  P  P246  1  0.404287  0.327596  0.242639  1
  P  P247  1  0.405230  0.327379  0.576224  1
  P  P248  1  0.405684  0.327366  0.909289  1
  P  P249  1  0.738329  0.327204  0.190072  1
  P  P250  1  0.738356  0.326799  0.523184  1
  P  P251  1  0.738779  0.326725  0.856550  1
  P  P252  1  0.310764  0.497211  0.050803  1
  P  P253  1  0.311618  0.497526  0.385514  1
  P  P254  1  0.310867  0.497615  0.717637  1
  P  P255  1  0.645905  0.497288  -0.001380  1
  P  P256  1  0.644653  0.497193  0.331765  1
  P  P257  1  0.645725  0.497039  0.665188  1
  P  P258  1  0.979936  0.496887  0.944412  1
  P  P259  1  0.980100  0.497311  0.277124  1
  P  P260  1  0.979644  0.496721  0.610452  1
  P  P261  1  0.268415  0.996613  0.239057  1
  P  P262  1  0.268582  0.996677  0.572115  1
  P  P263  1  0.269272  0.996439  0.905524  1
  P  P264  1  0.602172  0.997363  0.182351  1
  P  P265  1  0.601779  0.997055  0.515569  1
  P  P266  1  0.602732  0.997189  0.849105  1
  P  P267  1  0.937203  0.998520  0.130808  1
  P  P268  1  0.936803  0.997762  0.464628  1
  P  P269  1  0.937880  0.997288  0.798314  1
