# generated using pymatgen
data_Fe54P215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.88471517
_cell_length_b   15.92501541
_cell_length_c   19.93917995
_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   5876.30327935
_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  0.033658  0.590134  0.273853  1
  Fe  Fe2  1  0.033629  0.589948  0.607476  1
  Fe  Fe3  1  0.033090  0.590092  0.940311  1
  Fe  Fe4  1  0.365732  0.590790  0.285947  1
  Fe  Fe5  1  0.365317  0.590212  0.619342  1
  Fe  Fe6  1  0.365075  0.590055  0.952806  1
  Fe  Fe7  1  0.700702  0.590729  0.273928  1
  Fe  Fe8  1  0.700416  0.590652  0.607511  1
  Fe  Fe9  1  0.699835  0.590696  0.940610  1
  Fe  Fe10  1  0.226610  0.105109  0.252185  1
  Fe  Fe11  1  0.216881  0.096981  0.583663  1
  Fe  Fe12  1  0.216480  0.096747  0.917377  1
  Fe  Fe13  1  0.550634  0.096611  0.244531  1
  Fe  Fe14  1  0.550958  0.096766  0.578042  1
  Fe  Fe15  1  0.550755  0.096750  0.911408  1
  Fe  Fe16  1  0.887738  0.095093  0.237964  1
  Fe  Fe17  1  0.885687  0.096260  0.572429  1
  Fe  Fe18  1  0.885499  0.096446  0.905097  1
  Fe  Fe19  1  0.217279  0.903032  0.082100  1
  Fe  Fe20  1  0.217609  0.903857  0.418021  1
  Fe  Fe21  1  0.216669  0.903811  0.750391  1
  Fe  Fe22  1  0.551401  0.903743  0.077761  1
  Fe  Fe23  1  0.550709  0.903516  0.411217  1
  Fe  Fe24  1  0.550612  0.903584  0.744472  1
  Fe  Fe25  1  0.884640  0.903787  0.071366  1
  Fe  Fe26  1  0.885384  0.903394  0.406340  1
  Fe  Fe27  1  0.885589  0.904103  0.738877  1
  Fe  Fe28  1  0.033815  0.410602  0.107678  1
  Fe  Fe29  1  0.034219  0.410180  0.441152  1
  Fe  Fe30  1  0.033440  0.410569  0.774205  1
  Fe  Fe31  1  0.365122  0.410553  0.119065  1
  Fe  Fe32  1  0.365372  0.410537  0.452247  1
  Fe  Fe33  1  0.365074  0.410370  0.785957  1
  Fe  Fe34  1  0.699958  0.409186  0.107420  1
  Fe  Fe35  1  0.700753  0.409351  0.440704  1
  Fe  Fe36  1  0.699975  0.409482  0.773955  1
  Fe  Fe37  1  0.282837  0.758971  0.175174  1
  Fe  Fe38  1  0.285239  0.757611  0.508862  1
  Fe  Fe39  1  0.284510  0.757455  0.841850  1
  Fe  Fe40  1  0.621943  0.756786  0.166707  1
  Fe  Fe41  1  0.621849  0.756519  0.500066  1
  Fe  Fe42  1  0.621309  0.756333  0.833437  1
  Fe  Fe43  1  0.955700  0.753766  0.163873  1
  Fe  Fe44  1  0.956360  0.756741  0.497259  1
  Fe  Fe45  1  0.955949  0.756611  0.830610  1
  Fe  Fe46  1  0.284350  0.242728  0.008601  1
  Fe  Fe47  1  0.287313  0.245969  0.342697  1
  Fe  Fe48  1  0.284782  0.243094  0.675066  1
  Fe  Fe49  1  0.621794  0.243836  0.000730  1
  Fe  Fe50  1  0.622767  0.243911  0.333897  1
  Fe  Fe51  1  0.621700  0.243919  0.667257  1
  Fe  Fe52  1  0.955732  0.244647  0.995949  1
  Fe  Fe53  1  0.957363  0.241533  0.329356  1
  Fe  Fe54  1  0.956176  0.243701  0.663764  1
  P  P55  1  0.138523  0.499309  0.296218  1
  P  P56  1  0.138410  0.499099  0.629413  1
  P  P57  1  0.138128  0.499056  0.962351  1
  P  P58  1  0.471353  0.500040  0.304968  1
  P  P59  1  0.470900  0.499372  0.638492  1
  P  P60  1  0.470527  0.499266  0.971781  1
  P  P61  1  0.805608  0.498675  0.294832  1
  P  P62  1  0.805331  0.499048  0.628347  1
  P  P63  1  0.805029  0.499313  0.961597  1
  P  P64  1  0.109693  0.001359  0.553603  1
  P  P65  1  0.109756  0.000771  0.888766  1
  P  P66  1  0.442577  0.001180  0.217067  1
  P  P67  1  0.443212  0.001355  0.550863  1
  P  P68  1  0.443040  0.001182  0.884252  1
  P  P69  1  0.778658  0.001183  0.210745  1
  P  P70  1  0.777566  0.001172  0.544501  1
  P  P71  1  0.777422  0.001212  0.877936  1
  P  P72  1  0.108521  0.998264  0.055886  1
  P  P73  1  0.109907  0.999011  0.385063  1
  P  P74  1  0.109706  0.999592  0.721286  1
  P  P75  1  0.443328  0.999199  0.050730  1
  P  P76  1  0.443104  0.999355  0.384114  1
  P  P77  1  0.442912  0.999178  0.717458  1
  P  P78  1  0.778553  0.999897  0.045133  1
  P  P79  1  0.777368  0.998777  0.377664  1
  P  P80  1  0.777533  0.999211  0.711195  1
  P  P81  1  0.138760  0.500919  0.129396  1
  P  P82  1  0.138585  0.501329  0.462862  1
  P  P83  1  0.138192  0.501357  0.795900  1
  P  P84  1  0.470847  0.501631  0.138237  1
  P  P85  1  0.471231  0.501345  0.471805  1
  P  P86  1  0.470630  0.501188  0.805143  1
  P  P87  1  0.805071  0.500747  0.128291  1
  P  P88  1  0.805743  0.500650  0.461642  1
  P  P89  1  0.805035  0.501111  0.794964  1
  P  P90  1  0.313288  0.501934  0.193553  1
  P  P91  1  0.313116  0.501207  0.527165  1
  P  P92  1  0.312517  0.500964  0.860518  1
  P  P93  1  0.648672  0.501624  0.180899  1
  P  P94  1  0.648941  0.501581  0.514189  1
  P  P95  1  0.648332  0.501581  0.847517  1
  P  P96  1  0.980864  0.500654  0.182112  1
  P  P97  1  0.981072  0.500610  0.515319  1
  P  P98  1  0.980501  0.501067  0.848588  1
  P  P99  1  0.263814  0.000262  0.335735  1
  P  P100  1  0.264746  0.999187  0.669974  1
  P  P101  1  0.264718  0.999309  0.004133  1
  P  P102  1  0.598310  0.999115  0.331094  1
  P  P103  1  0.598408  0.999319  0.664584  1
  P  P104  1  0.598856  0.999496  -0.001972  1
  P  P105  1  0.933036  0.997664  0.324425  1
  P  P106  1  0.934045  0.998643  0.657139  1
  P  P107  1  0.933929  0.998834  0.990280  1
  P  P108  1  0.009072  0.154380  0.255023  1
  P  P109  1  0.005758  0.158035  0.587957  1
  P  P110  1  0.005551  0.158428  0.920826  1
  P  P111  1  0.341109  0.157004  0.268086  1
  P  P112  1  0.337664  0.155651  0.601120  1
  P  P113  1  0.337413  0.155481  0.934609  1
  P  P114  1  0.672590  0.154879  0.260597  1
  P  P115  1  0.672401  0.155035  0.594020  1
  P  P116  1  0.672031  0.155235  0.927108  1
  P  P117  1  0.243736  0.660947  0.260119  1
  P  P118  1  0.243796  0.660608  0.593557  1
  P  P119  1  0.243457  0.660525  0.926899  1
  P  P120  1  0.578386  0.658409  0.249064  1
  P  P121  1  0.578364  0.658153  0.582363  1
  P  P122  1  0.577712  0.657982  0.915654  1
  P  P123  1  0.912406  0.659089  0.248931  1
  P  P124  1  0.912494  0.659541  0.581906  1
  P  P125  1  0.912329  0.660137  0.915626  1
  P  P126  1  0.243845  0.339239  0.094058  1
  P  P127  1  0.244028  0.340631  0.426758  1
  P  P128  1  0.243560  0.339922  0.760086  1
  P  P129  1  0.578025  0.342032  0.082828  1
  P  P130  1  0.579064  0.342242  0.416105  1
  P  P131  1  0.577943  0.342241  0.749265  1
  P  P132  1  0.912137  0.341417  0.081348  1
  P  P133  1  0.913451  0.339634  0.414784  1
  P  P134  1  0.912363  0.340757  0.748343  1
  P  P135  1  0.003099  0.837792  0.084881  1
  P  P136  1  0.006007  0.842249  0.421158  1
  P  P137  1  0.005612  0.842175  0.754470  1
  P  P138  1  0.337407  0.845845  0.101833  1
  P  P139  1  0.337959  0.845514  0.434410  1
  P  P140  1  0.337310  0.844944  0.767824  1
  P  P141  1  0.672999  0.845558  0.093743  1
  P  P142  1  0.672301  0.845067  0.426896  1
  P  P143  1  0.672129  0.845206  0.760417  1
  P  P144  1  0.072330  0.326454  0.025698  1
  P  P145  1  0.072530  0.325305  0.359451  1
  P  P146  1  0.072143  0.326012  0.692633  1
  P  P147  1  0.402591  0.323300  0.037073  1
  P  P148  1  0.404229  0.324344  0.370472  1
  P  P149  1  0.402805  0.323473  0.703753  1
  P  P150  1  0.738727  0.322989  0.027398  1
  P  P151  1  0.739690  0.322607  0.360862  1
  P  P152  1  0.738778  0.322934  0.694190  1
  P  P153  1  0.169031  0.829789  0.161280  1
  P  P154  1  0.171233  0.826429  0.493851  1
  P  P155  1  0.170945  0.826375  0.826927  1
  P  P156  1  0.507014  0.823997  0.153836  1
  P  P157  1  0.506886  0.823699  0.487389  1
  P  P158  1  0.506372  0.823616  0.820496  1
  P  P159  1  0.842130  0.825265  0.149674  1
  P  P160  1  0.841227  0.824809  0.482986  1
  P  P161  1  0.841135  0.825301  0.815935  1
  P  P162  1  0.173607  0.175975  0.327425  1
  P  P163  1  0.171076  0.174329  0.660093  1
  P  P164  1  0.170658  0.173537  0.994410  1
  P  P165  1  0.508421  0.176886  0.321504  1
  P  P166  1  0.506696  0.176739  0.654096  1
  P  P167  1  0.506765  0.176643  0.987632  1
  P  P168  1  0.842159  0.174397  0.315345  1
  P  P169  1  0.841368  0.175226  0.649228  1
  P  P170  1  0.840955  0.175662  0.981923  1
  P  P171  1  0.072715  0.673967  0.192131  1
  P  P172  1  0.072365  0.674451  0.526055  1
  P  P173  1  0.072124  0.674434  0.859103  1
  P  P174  1  0.402494  0.678173  0.203817  1
  P  P175  1  0.403106  0.677142  0.537227  1
  P  P176  1  0.402516  0.677081  0.870563  1
  P  P177  1  0.739055  0.677399  0.193889  1
  P  P178  1  0.738875  0.677145  0.527397  1
  P  P179  1  0.738555  0.677332  0.860671  1
  P  P180  1  0.003118  0.162061  0.087577  1
  P  P181  1  0.004727  0.159048  0.422048  1
  P  P182  1  0.004028  0.160212  0.755420  1
  P  P183  1  0.334933  0.157960  0.101418  1
  P  P184  1  0.336512  0.158824  0.434899  1
  P  P185  1  0.334986  0.158278  0.767728  1
  P  P186  1  0.669847  0.158748  0.094089  1
  P  P187  1  0.670041  0.158296  0.427437  1
  P  P188  1  0.669103  0.158663  0.760642  1
  P  P189  1  0.243822  0.661702  0.093442  1
  P  P190  1  0.244426  0.660780  0.426699  1
  P  P191  1  0.244000  0.660749  0.759683  1
  P  P192  1  0.578637  0.659175  0.082638  1
  P  P193  1  0.578924  0.658955  0.415870  1
  P  P194  1  0.578640  0.658907  0.749229  1
  P  P195  1  0.910470  0.657841  0.081519  1
  P  P196  1  0.912014  0.658940  0.415236  1
  P  P197  1  0.911558  0.659280  0.748430  1
  P  P198  1  0.245101  0.342110  0.259787  1
  P  P199  1  0.244407  0.339868  0.592925  1
  P  P200  1  0.243898  0.339457  0.926575  1
  P  P201  1  0.579556  0.341319  0.249675  1
  P  P202  1  0.578975  0.341477  0.582902  1
  P  P203  1  0.578566  0.341347  0.916263  1
  P  P204  1  0.912821  0.339496  0.248003  1
  P  P205  1  0.911791  0.340997  0.581323  1
  P  P206  1  0.911333  0.341484  0.914405  1
  P  P207  1  0.005398  0.839730  0.254730  1
  P  P208  1  0.004227  0.840295  0.588837  1
  P  P209  1  0.003810  0.840375  0.921446  1
  P  P210  1  0.334844  0.842881  0.267742  1
  P  P211  1  0.335332  0.842374  0.601121  1
  P  P212  1  0.334791  0.842209  0.934771  1
  P  P213  1  0.669689  0.841698  0.260388  1
  P  P214  1  0.669424  0.841637  0.593752  1
  P  P215  1  0.668539  0.841526  0.927001  1
  P  P216  1  0.072777  0.674715  0.028385  1
  P  P217  1  0.072404  0.675653  0.361899  1
  P  P218  1  0.072305  0.675924  0.695262  1
  P  P219  1  0.403746  0.678573  0.039477  1
  P  P220  1  0.404396  0.678784  0.372845  1
  P  P221  1  0.404131  0.678373  0.706069  1
  P  P222  1  0.737241  0.677866  0.029031  1
  P  P223  1  0.738230  0.677718  0.362531  1
  P  P224  1  0.737840  0.677984  0.695878  1
  P  P225  1  0.174542  0.176371  0.158617  1
  P  P226  1  0.175667  0.176522  0.490602  1
  P  P227  1  0.175018  0.176248  0.824440  1
  P  P228  1  0.509348  0.178227  0.151978  1
  P  P229  1  0.510175  0.178495  0.485243  1
  P  P230  1  0.509253  0.178278  0.818451  1
  P  P231  1  0.844761  0.176407  0.146601  1
  P  P232  1  0.843653  0.177335  0.480028  1
  P  P233  1  0.842943  0.177648  0.813172  1
  P  P234  1  0.176238  0.823096  0.325574  1
  P  P235  1  0.175132  0.824158  0.657567  1
  P  P236  1  0.174472  0.823733  0.990738  1
  P  P237  1  0.509281  0.822228  0.318113  1
  P  P238  1  0.509518  0.822082  0.651532  1
  P  P239  1  0.509364  0.822237  0.984909  1
  P  P240  1  0.843526  0.822145  0.313798  1
  P  P241  1  0.843217  0.822717  0.646959  1
  P  P242  1  0.841796  0.822707  0.979741  1
  P  P243  1  0.072707  0.324509  0.195553  1
  P  P244  1  0.072797  0.324185  0.528887  1
  P  P245  1  0.072339  0.324635  0.861823  1
  P  P246  1  0.404844  0.322954  0.205893  1
  P  P247  1  0.404398  0.322404  0.539120  1
  P  P248  1  0.403988  0.322146  0.872657  1
  P  P249  1  0.738640  0.321983  0.195763  1
  P  P250  1  0.738095  0.322096  0.529305  1
  P  P251  1  0.737541  0.322397  0.862489  1
  P  P252  1  0.312297  0.499425  0.027148  1
  P  P253  1  0.313361  0.500221  0.360531  1
  P  P254  1  0.312765  0.499482  0.693812  1
  P  P255  1  0.648275  0.498599  0.014249  1
  P  P256  1  0.649129  0.498698  0.347576  1
  P  P257  1  0.648558  0.498733  0.680868  1
  P  P258  1  0.980783  0.499512  0.015286  1
  P  P259  1  0.981113  0.498887  0.348608  1
  P  P260  1  0.980746  0.499486  0.681939  1
  P  P261  1  0.261899  0.002202  0.171018  1
  P  P262  1  0.264994  0.001686  0.503051  1
  P  P263  1  0.264839  0.001285  0.837155  1
  P  P264  1  0.598737  0.001161  0.164625  1
  P  P265  1  0.598498  0.000977  0.497836  1
  P  P266  1  0.598193  0.000989  0.831188  1
  P  P267  1  0.938686  0.999964  0.157729  1
  P  P268  1  0.933918  0.001368  0.490783  1
  P  P269  1  0.934037  0.001827  0.823594  1
