# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.02893607
_cell_length_b   13.02425707
_cell_length_c   47.43456528
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe288
_cell_volume   7658.77305175
_cell_formula_units_Z   288
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  0.597516  0.931821  0.297217  1
  Fe  Fe2  1  0.930850  0.598487  0.297217  1
  Fe  Fe3  1  0.866008  0.866891  0.328876  1
  Fe  Fe4  1  0.230751  0.898310  0.311871  1
  Fe  Fe5  1  0.564084  0.564977  0.311871  1
  Fe  Fe6  1  0.897417  0.231644  0.311871  1
  Fe  Fe7  1  0.264183  0.265154  0.297217  1
  Fe  Fe8  1  0.199341  0.533558  0.328876  1
  Fe  Fe9  1  0.532675  0.200225  0.328876  1
  Fe  Fe10  1  0.699341  0.033558  0.328876  1
  Fe  Fe11  1  0.032675  0.700225  0.328876  1
  Fe  Fe12  1  0.064084  0.064977  0.311871  1
  Fe  Fe13  1  0.430850  0.098487  0.297217  1
  Fe  Fe14  1  0.764183  0.765154  0.297217  1
  Fe  Fe15  1  0.097516  0.431821  0.297217  1
  Fe  Fe16  1  0.366008  0.366891  0.328876  1
  Fe  Fe17  1  0.397417  0.731644  0.311871  1
  Fe  Fe18  1  0.730751  0.398310  0.311871  1
  Fe  Fe19  1  0.520275  0.021189  0.340933  1
  Fe  Fe20  1  0.853609  0.687856  0.340933  1
  Fe  Fe21  1  0.881713  0.049262  0.320728  1
  Fe  Fe22  1  0.247499  0.081747  0.303463  1
  Fe  Fe23  1  0.580832  0.748413  0.303463  1
  Fe  Fe24  1  0.914165  0.415080  0.303463  1
  Fe  Fe25  1  0.186942  0.354522  0.340933  1
  Fe  Fe26  1  0.215046  0.715928  0.320728  1
  Fe  Fe27  1  0.548379  0.382595  0.320728  1
  Fe  Fe28  1  0.686942  0.854522  0.340933  1
  Fe  Fe29  1  0.020275  0.521189  0.340933  1
  Fe  Fe30  1  0.048379  0.882595  0.320728  1
  Fe  Fe31  1  0.414165  0.915080  0.303463  1
  Fe  Fe32  1  0.747499  0.581747  0.303463  1
  Fe  Fe33  1  0.080832  0.248413  0.303463  1
  Fe  Fe34  1  0.353609  0.187856  0.340933  1
  Fe  Fe35  1  0.381713  0.549262  0.320728  1
  Fe  Fe36  1  0.715046  0.215928  0.320728  1
  Fe  Fe37  1  0.507288  0.841519  0.347530  1
  Fe  Fe38  1  0.840621  0.508186  0.347530  1
  Fe  Fe39  1  0.788568  0.789462  0.383877  1
  Fe  Fe40  1  0.147603  0.815154  0.364421  1
  Fe  Fe41  1  0.480936  0.481821  0.364421  1
  Fe  Fe42  1  0.814270  0.148488  0.364421  1
  Fe  Fe43  1  0.173955  0.174852  0.347530  1
  Fe  Fe44  1  0.121901  0.456129  0.383877  1
  Fe  Fe45  1  0.455234  0.122796  0.383877  1
  Fe  Fe46  1  0.621901  0.956129  0.383877  1
  Fe  Fe47  1  0.955234  0.622796  0.383877  1
  Fe  Fe48  1  0.980936  0.981821  0.364421  1
  Fe  Fe49  1  0.340621  0.008186  0.347530  1
  Fe  Fe50  1  0.673955  0.674852  0.347530  1
  Fe  Fe51  1  0.007288  0.341519  0.347530  1
  Fe  Fe52  1  0.288568  0.289462  0.383877  1
  Fe  Fe53  1  0.314270  0.648488  0.364421  1
  Fe  Fe54  1  0.647603  0.315154  0.364421  1
  Fe  Fe55  1  0.441277  0.942166  0.391474  1
  Fe  Fe56  1  0.774610  0.608833  0.391474  1
  Fe  Fe57  1  0.801054  0.968605  0.373078  1
  Fe  Fe58  1  0.160848  0.995069  0.355748  1
  Fe  Fe59  1  0.494181  0.661736  0.355748  1
  Fe  Fe60  1  0.827514  0.328403  0.355748  1
  Fe  Fe61  1  0.107943  0.275500  0.391474  1
  Fe  Fe62  1  0.134388  0.635272  0.373078  1
  Fe  Fe63  1  0.467721  0.301938  0.373078  1
  Fe  Fe64  1  0.607943  0.775500  0.391474  1
  Fe  Fe65  1  0.941277  0.442166  0.391474  1
  Fe  Fe66  1  0.967721  0.801938  0.373078  1
  Fe  Fe67  1  0.327514  0.828403  0.355748  1
  Fe  Fe68  1  0.660848  0.495069  0.355748  1
  Fe  Fe69  1  0.994181  0.161736  0.355748  1
  Fe  Fe70  1  0.274610  0.108833  0.391474  1
  Fe  Fe71  1  0.301054  0.468605  0.373078  1
  Fe  Fe72  1  0.634388  0.135272  0.373078  1
  Fe  Fe73  1  0.427831  0.762048  0.399672  1
  Fe  Fe74  1  0.761164  0.428715  0.399672  1
  Fe  Fe75  1  0.708475  0.709355  0.435271  1
  Fe  Fe76  1  0.068238  0.735784  0.417319  1
  Fe  Fe77  1  0.401572  0.402451  0.417319  1
  Fe  Fe78  1  0.734905  0.069117  0.417319  1
  Fe  Fe79  1  0.094498  0.095382  0.399672  1
  Fe  Fe80  1  0.041808  0.376022  0.435271  1
  Fe  Fe81  1  0.375142  0.042689  0.435271  1
  Fe  Fe82  1  0.541808  0.876022  0.435271  1
  Fe  Fe83  1  0.875142  0.542689  0.435271  1
  Fe  Fe84  1  0.901572  0.902451  0.417319  1
  Fe  Fe85  1  0.261164  0.928715  0.399672  1
  Fe  Fe86  1  0.594498  0.595382  0.399672  1
  Fe  Fe87  1  0.927831  0.262048  0.399672  1
  Fe  Fe88  1  0.208475  0.209355  0.435271  1
  Fe  Fe89  1  0.234905  0.569117  0.417319  1
  Fe  Fe90  1  0.568238  0.235784  0.417319  1
  Fe  Fe91  1  0.361672  0.862550  0.443522  1
  Fe  Fe92  1  0.695006  0.529216  0.443522  1
  Fe  Fe93  1  0.722124  0.889673  0.427256  1
  Fe  Fe94  1  0.081306  0.915521  0.408417  1
  Fe  Fe95  1  0.414640  0.582187  0.408417  1
  Fe  Fe96  1  0.747973  0.248854  0.408417  1
  Fe  Fe97  1  0.028339  0.195883  0.443522  1
  Fe  Fe98  1  0.055457  0.556340  0.427256  1
  Fe  Fe99  1  0.388791  0.223007  0.427256  1
  Fe  Fe100  1  0.528339  0.695883  0.443522  1
  Fe  Fe101  1  0.861672  0.362550  0.443522  1
  Fe  Fe102  1  0.888791  0.723007  0.427256  1
  Fe  Fe103  1  0.247973  0.748854  0.408417  1
  Fe  Fe104  1  0.581306  0.415521  0.408417  1
  Fe  Fe105  1  0.914640  0.082187  0.408417  1
  Fe  Fe106  1  0.195006  0.029216  0.443522  1
  Fe  Fe107  1  0.222124  0.389673  0.427256  1
  Fe  Fe108  1  0.555457  0.056340  0.427256  1
  Fe  Fe109  1  0.348517  0.682726  0.452408  1
  Fe  Fe110  1  0.681850  0.349392  0.452408  1
  Fe  Fe111  1  0.628816  0.629686  0.487305  1
  Fe  Fe112  1  0.989165  0.656705  0.470826  1
  Fe  Fe113  1  0.322498  0.323372  0.470826  1
  Fe  Fe114  1  0.655831  0.990039  0.470826  1
  Fe  Fe115  1  0.015183  0.016059  0.452408  1
  Fe  Fe116  1  0.962149  0.296353  0.487305  1
  Fe  Fe117  1  0.295483  0.963019  0.487305  1
  Fe  Fe118  1  0.462149  0.796353  0.487305  1
  Fe  Fe119  1  0.795483  0.463019  0.487305  1
  Fe  Fe120  1  0.822498  0.823372  0.470826  1
  Fe  Fe121  1  0.181850  0.849392  0.452408  1
  Fe  Fe122  1  0.515183  0.516059  0.452408  1
  Fe  Fe123  1  0.848517  0.182726  0.452408  1
  Fe  Fe124  1  0.128816  0.129686  0.487305  1
  Fe  Fe125  1  0.155831  0.490039  0.470826  1
  Fe  Fe126  1  0.489165  0.156705  0.470826  1
  Fe  Fe127  1  0.282399  0.783268  0.496402  1
  Fe  Fe128  1  0.615732  0.449935  0.496402  1
  Fe  Fe129  1  0.642298  0.809837  0.479036  1
  Fe  Fe130  1  0.002135  0.836342  0.461407  1
  Fe  Fe131  1  0.335468  0.503008  0.461407  1
  Fe  Fe132  1  0.668802  0.169675  0.461407  1
  Fe  Fe133  1  0.949066  0.116602  0.496402  1
  Fe  Fe134  1  0.975631  0.476503  0.479036  1
  Fe  Fe135  1  0.308965  0.143170  0.479036  1
  Fe  Fe136  1  0.449066  0.616602  0.496402  1
  Fe  Fe137  1  0.782399  0.283268  0.496402  1
  Fe  Fe138  1  0.808965  0.643170  0.479036  1
  Fe  Fe139  1  0.168802  0.669675  0.461407  1
  Fe  Fe140  1  0.502135  0.336342  0.461407  1
  Fe  Fe141  1  0.835468  0.003008  0.461407  1
  Fe  Fe142  1  0.115732  0.949935  0.496402  1
  Fe  Fe143  1  0.142298  0.309837  0.479036  1
  Fe  Fe144  1  0.475631  0.976503  0.479036  1
  Fe  Fe145  1  0.269356  0.603556  0.505426  1
  Fe  Fe146  1  0.602689  0.270222  0.505426  1
  Fe  Fe147  1  0.549620  0.550482  0.540421  1
  Fe  Fe148  1  0.909457  0.576987  0.522792  1
  Fe  Fe149  1  0.242790  0.243654  0.522792  1
  Fe  Fe150  1  0.576123  0.910320  0.522792  1
  Fe  Fe151  1  0.936022  0.936889  0.505426  1
  Fe  Fe152  1  0.882953  0.217149  0.540421  1
  Fe  Fe153  1  0.216286  0.883816  0.540421  1
  Fe  Fe154  1  0.382953  0.717149  0.540421  1
  Fe  Fe155  1  0.716286  0.383816  0.540421  1
  Fe  Fe156  1  0.742790  0.743654  0.522792  1
  Fe  Fe157  1  0.102689  0.770222  0.505426  1
  Fe  Fe158  1  0.436022  0.436889  0.505426  1
  Fe  Fe159  1  0.769356  0.103556  0.505426  1
  Fe  Fe160  1  0.049620  0.050482  0.540421  1
  Fe  Fe161  1  0.076123  0.410320  0.522792  1
  Fe  Fe162  1  0.409457  0.076987  0.522792  1
  Fe  Fe163  1  0.203238  0.704098  0.549420  1
  Fe  Fe164  1  0.536571  0.370765  0.549420  1
  Fe  Fe165  1  0.562590  0.730119  0.531002  1
  Fe  Fe166  1  0.922938  0.757138  0.514522  1
  Fe  Fe167  1  0.256272  0.423805  0.514522  1
  Fe  Fe168  1  0.589605  0.090471  0.514522  1
  Fe  Fe169  1  0.869905  0.037432  0.549420  1
  Fe  Fe170  1  0.895923  0.396785  0.531002  1
  Fe  Fe171  1  0.229256  0.063452  0.531002  1
  Fe  Fe172  1  0.369905  0.537432  0.549420  1
  Fe  Fe173  1  0.703238  0.204098  0.549420  1
  Fe  Fe174  1  0.729256  0.563452  0.531002  1
  Fe  Fe175  1  0.089605  0.590471  0.514522  1
  Fe  Fe176  1  0.422938  0.257138  0.514522  1
  Fe  Fe177  1  0.756272  0.923805  0.514522  1
  Fe  Fe178  1  0.036571  0.870765  0.549420  1
  Fe  Fe179  1  0.062590  0.230119  0.531002  1
  Fe  Fe180  1  0.395923  0.896785  0.531002  1
  Fe  Fe181  1  0.190082  0.524274  0.558306  1
  Fe  Fe182  1  0.523416  0.190941  0.558306  1
  Fe  Fe183  1  0.470448  0.471303  0.593410  1
  Fe  Fe184  1  0.829631  0.497151  0.574572  1
  Fe  Fe185  1  0.162964  0.163817  0.574572  1
  Fe  Fe186  1  0.496297  0.830484  0.574572  1
  Fe  Fe187  1  0.856749  0.857607  0.558306  1
  Fe  Fe188  1  0.803782  0.137970  0.593410  1
  Fe  Fe189  1  0.137115  0.804636  0.593410  1
  Fe  Fe190  1  0.303782  0.637970  0.593410  1
  Fe  Fe191  1  0.637115  0.304636  0.593410  1
  Fe  Fe192  1  0.662964  0.663817  0.574572  1
  Fe  Fe193  1  0.023416  0.690941  0.558306  1
  Fe  Fe194  1  0.356749  0.357607  0.558306  1
  Fe  Fe195  1  0.690082  0.024274  0.558306  1
  Fe  Fe196  1  0.970448  0.971303  0.593410  1
  Fe  Fe197  1  0.996297  0.330484  0.574572  1
  Fe  Fe198  1  0.329631  0.997151  0.574572  1
  Fe  Fe199  1  0.123924  0.624775  0.602156  1
  Fe  Fe200  1  0.457257  0.291442  0.602156  1
  Fe  Fe201  1  0.483516  0.651040  0.584508  1
  Fe  Fe202  1  0.843280  0.677468  0.566556  1
  Fe  Fe203  1  0.176613  0.344135  0.566556  1
  Fe  Fe204  1  0.509946  0.010802  0.566556  1
  Fe  Fe205  1  0.790590  0.958109  0.602156  1
  Fe  Fe206  1  0.816850  0.317707  0.584508  1
  Fe  Fe207  1  0.150183  0.984373  0.584508  1
  Fe  Fe208  1  0.290590  0.458109  0.602156  1
  Fe  Fe209  1  0.623924  0.124775  0.602156  1
  Fe  Fe210  1  0.650183  0.484373  0.584508  1
  Fe  Fe211  1  0.009946  0.510802  0.566556  1
  Fe  Fe212  1  0.343280  0.177468  0.566556  1
  Fe  Fe213  1  0.676613  0.844135  0.566556  1
  Fe  Fe214  1  0.957257  0.791442  0.602156  1
  Fe  Fe215  1  0.983516  0.151040  0.584508  1
  Fe  Fe216  1  0.316850  0.817707  0.584508  1
  Fe  Fe217  1  0.110478  0.444657  0.610353  1
  Fe  Fe218  1  0.443811  0.111324  0.610353  1
  Fe  Fe219  1  0.390907  0.391754  0.646079  1
  Fe  Fe220  1  0.750700  0.418219  0.628750  1
  Fe  Fe221  1  0.084034  0.084886  0.628750  1
  Fe  Fe222  1  0.417367  0.751552  0.628750  1
  Fe  Fe223  1  0.777145  0.777991  0.610353  1
  Fe  Fe224  1  0.724240  0.058421  0.646079  1
  Fe  Fe225  1  0.057574  0.725088  0.646079  1
  Fe  Fe226  1  0.224240  0.558421  0.646079  1
  Fe  Fe227  1  0.557574  0.225088  0.646079  1
  Fe  Fe228  1  0.584034  0.584886  0.628750  1
  Fe  Fe229  1  0.943811  0.611324  0.610353  1
  Fe  Fe230  1  0.277145  0.277991  0.610353  1
  Fe  Fe231  1  0.610478  0.944657  0.610353  1
  Fe  Fe232  1  0.890907  0.891754  0.646079  1
  Fe  Fe233  1  0.917367  0.251552  0.628750  1
  Fe  Fe234  1  0.250700  0.918219  0.628750  1
  Fe  Fe235  1  0.044467  0.545305  0.654298  1
  Fe  Fe236  1  0.377800  0.211972  0.654298  1
  Fe  Fe237  1  0.404151  0.571670  0.637407  1
  Fe  Fe238  1  0.763187  0.597362  0.617950  1
  Fe  Fe239  1  0.096520  0.264028  0.617950  1
  Fe  Fe240  1  0.429854  0.930695  0.617950  1
  Fe  Fe241  1  0.711133  0.878638  0.654298  1
  Fe  Fe242  1  0.737485  0.238336  0.637407  1
  Fe  Fe243  1  0.070818  0.905003  0.637407  1
  Fe  Fe244  1  0.211133  0.378638  0.654298  1
  Fe  Fe245  1  0.544467  0.045305  0.654298  1
  Fe  Fe246  1  0.570818  0.405003  0.637407  1
  Fe  Fe247  1  0.929854  0.430695  0.617950  1
  Fe  Fe248  1  0.263187  0.097362  0.617950  1
  Fe  Fe249  1  0.596520  0.764028  0.617950  1
  Fe  Fe250  1  0.877800  0.711972  0.654298  1
  Fe  Fe251  1  0.904151  0.071670  0.637407  1
  Fe  Fe252  1  0.237485  0.738336  0.637407  1
  Fe  Fe253  1  0.031479  0.365635  0.660895  1
  Fe  Fe254  1  0.364813  0.032302  0.660895  1
  Fe  Fe255  1  0.304256  0.305077  0.698365  1
  Fe  Fe256  1  0.670042  0.337562  0.681099  1
  Fe  Fe257  1  0.003375  0.004229  0.681099  1
  Fe  Fe258  1  0.336708  0.670895  0.681099  1
  Fe  Fe259  1  0.698146  0.698968  0.660895  1
  Fe  Fe260  1  0.637589  0.971744  0.698365  1
  Fe  Fe261  1  0.970923  0.638411  0.698365  1
  Fe  Fe262  1  0.137589  0.471744  0.698365  1
  Fe  Fe263  1  0.470923  0.138411  0.698365  1
  Fe  Fe264  1  0.503375  0.504229  0.681099  1
  Fe  Fe265  1  0.864813  0.532302  0.660895  1
  Fe  Fe266  1  0.198146  0.198968  0.660895  1
  Fe  Fe267  1  0.531479  0.865635  0.660895  1
  Fe  Fe268  1  0.804256  0.805077  0.698365  1
  Fe  Fe269  1  0.836708  0.170895  0.681099  1
  Fe  Fe270  1  0.170042  0.837562  0.681099  1
  Fe  Fe271  1  0.954238  0.455003  0.704610  1
  Fe  Fe272  1  0.287572  0.121670  0.704610  1
  Fe  Fe273  1  0.321004  0.488514  0.689957  1
  Fe  Fe274  1  0.685747  0.519932  0.672952  1
  Fe  Fe275  1  0.019080  0.186599  0.672952  1
  Fe  Fe276  1  0.352413  0.853266  0.672952  1
  Fe  Fe277  1  0.620905  0.788336  0.704610  1
  Fe  Fe278  1  0.654337  0.155180  0.689957  1
  Fe  Fe279  1  0.987671  0.821847  0.689957  1
  Fe  Fe280  1  0.120905  0.288336  0.704610  1
  Fe  Fe281  1  0.454238  0.955003  0.704610  1
  Fe  Fe282  1  0.487671  0.321847  0.689957  1
  Fe  Fe283  1  0.852413  0.353266  0.672952  1
  Fe  Fe284  1  0.185747  0.019932  0.672952  1
  Fe  Fe285  1  0.519080  0.686599  0.672952  1
  Fe  Fe286  1  0.787572  0.621670  0.704610  1
  Fe  Fe287  1  0.821004  0.988514  0.689957  1
  Fe  Fe288  1  0.154337  0.655180  0.689957  1
