# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98979935
_cell_length_b   8.98615921
_cell_length_c   46.75095074
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe144
_cell_volume   3757.78693155
_cell_formula_units_Z   144
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  0.968728  0.302645  0.321676  1
  Fe  Fe2  1  0.306011  0.972374  0.324189  1
  Fe  Fe3  1  0.374357  0.374416  0.284951  1
  Fe  Fe4  1  0.638445  0.639946  0.324189  1
  Fe  Fe5  1  0.709441  0.043384  0.285549  1
  Fe  Fe6  1  0.673471  0.332808  0.303243  1
  Fe  Fe7  1  0.040472  0.708293  0.284951  1
  Fe  Fe8  1  0.998878  0.007419  0.303242  1
  Fe  Fe9  1  0.334760  0.668688  0.303916  1
  Fe  Fe10  1  0.788526  0.122438  0.333402  1
  Fe  Fe11  1  0.228886  0.896079  0.276821  1
  Fe  Fe12  1  0.190642  0.185889  0.293925  1
  Fe  Fe13  1  0.562125  0.562848  0.276822  1
  Fe  Fe14  1  0.520604  0.854571  0.293923  1
  Fe  Fe15  1  0.486051  0.152714  0.312998  1
  Fe  Fe16  1  0.851929  0.524586  0.293925  1
  Fe  Fe17  1  0.818799  0.819971  0.312998  1
  Fe  Fe18  1  0.150922  0.484837  0.312671  1
  Fe  Fe19  1  0.880232  0.214109  0.378782  1
  Fe  Fe20  1  0.212742  0.880857  0.378552  1
  Fe  Fe21  1  0.274784  0.275285  0.341281  1
  Fe  Fe22  1  0.546982  0.546616  0.378552  1
  Fe  Fe23  1  0.606821  0.940719  0.341517  1
  Fe  Fe24  1  0.576132  0.244642  0.359984  1
  Fe  Fe25  1  0.941384  0.608684  0.341280  1
  Fe  Fe26  1  0.910754  0.910019  0.359983  1
  Fe  Fe27  1  0.242968  0.576855  0.359559  1
  Fe  Fe28  1  0.697766  0.031631  0.387823  1
  Fe  Fe29  1  0.122779  0.792137  0.332189  1
  Fe  Fe30  1  0.091153  0.093794  0.350587  1
  Fe  Fe31  1  0.458222  0.456691  0.332189  1
  Fe  Fe32  1  0.424840  0.758740  0.350941  1
  Fe  Fe33  1  0.395495  0.063249  0.369601  1
  Fe  Fe34  1  0.759894  0.425051  0.350586  1
  Fe  Fe35  1  0.729368  0.729375  0.369601  1
  Fe  Fe36  1  0.061172  0.395050  0.368759  1
  Fe  Fe37  1  0.788143  0.121971  0.434053  1
  Fe  Fe38  1  0.121540  0.788496  0.433949  1
  Fe  Fe39  1  0.182072  0.183552  0.396933  1
  Fe  Fe40  1  0.454669  0.455368  0.433949  1
  Fe  Fe41  1  0.515760  0.849617  0.397091  1
  Fe  Fe42  1  0.485377  0.152937  0.415608  1
  Fe  Fe43  1  0.849694  0.515928  0.396932  1
  Fe  Fe44  1  0.819094  0.819220  0.415608  1
  Fe  Fe45  1  0.151727  0.485569  0.415312  1
  Fe  Fe46  1  0.606166  0.939986  0.443265  1
  Fe  Fe47  1  0.031495  0.697992  0.387659  1
  Fe  Fe48  1  1.000608  1.001133  0.406282  1
  Fe  Fe49  1  0.364128  0.365360  0.387659  1
  Fe  Fe50  1  0.333582  0.667431  0.406083  1
  Fe  Fe51  1  0.303242  0.970833  0.424756  1
  Fe  Fe52  1  0.667281  0.334460  0.406282  1
  Fe  Fe53  1  0.636998  0.637076  0.424756  1
  Fe  Fe54  1  0.970205  0.304041  0.424835  1
  Fe  Fe55  1  0.696452  0.030233  0.489469  1
  Fe  Fe56  1  0.029971  0.696847  0.489490  1
  Fe  Fe57  1  0.090936  0.091438  0.452520  1
  Fe  Fe58  1  0.363066  0.363754  0.489491  1
  Fe  Fe59  1  0.424108  0.757919  0.452407  1
  Fe  Fe60  1  0.393616  0.060941  0.470979  1
  Fe  Fe61  1  0.757625  0.424749  0.452520  1
  Fe  Fe62  1  0.727144  0.727413  0.470979  1
  Fe  Fe63  1  0.060421  0.394219  0.471030  1
  Fe  Fe64  1  0.514461  0.848235  0.498671  1
  Fe  Fe65  1  0.939728  0.606473  0.443225  1
  Fe  Fe66  1  0.909165  0.909410  0.461777  1
  Fe  Fe67  1  0.272654  0.273548  0.443225  1
  Fe  Fe68  1  0.242209  0.576013  0.461669  1
  Fe  Fe69  1  0.211815  0.878791  0.480209  1
  Fe  Fe70  1  0.575605  0.242970  0.461778  1
  Fe  Fe71  1  0.545001  0.545605  0.480209  1
  Fe  Fe72  1  0.878450  0.212240  0.480274  1
  Fe  Fe73  1  0.604750  0.938486  0.544895  1
  Fe  Fe74  1  0.938256  0.605330  0.545010  1
  Fe  Fe75  1  0.999432  0.999630  0.507993  1
  Fe  Fe76  1  0.271593  0.271993  0.545010  1
  Fe  Fe77  1  0.332576  0.666343  0.507968  1
  Fe  Fe78  1  0.302114  0.969014  0.526447  1
  Fe  Fe79  1  0.665864  0.333200  0.507993  1
  Fe  Fe80  1  0.635263  0.635865  0.526447  1
  Fe  Fe81  1  0.968733  0.302486  0.526503  1
  Fe  Fe82  1  0.422919  0.756648  0.554259  1
  Fe  Fe83  1  0.847929  0.515030  0.498758  1
  Fe  Fe84  1  0.817406  0.817674  0.517204  1
  Fe  Fe85  1  0.181255  0.181704  0.498758  1
  Fe  Fe86  1  0.150701  0.484461  0.517268  1
  Fe  Fe87  1  0.120320  0.787161  0.535765  1
  Fe  Fe88  1  0.483915  0.151166  0.517204  1
  Fe  Fe89  1  0.453418  0.454064  0.535766  1
  Fe  Fe90  1  0.786695  0.120439  0.535659  1
  Fe  Fe91  1  0.513173  0.846865  0.600614  1
  Fe  Fe92  1  0.846174  0.514176  0.600474  1
  Fe  Fe93  1  0.907727  0.907891  0.563421  1
  Fe  Fe94  1  0.180482  0.179865  0.600473  1
  Fe  Fe95  1  0.240993  0.574715  0.563528  1
  Fe  Fe96  1  0.210862  0.877491  0.582087  1
  Fe  Fe97  1  0.574171  0.241448  0.563421  1
  Fe  Fe98  1  0.543785  0.544569  0.582087  1
  Fe  Fe99  1  0.876814  0.210519  0.581793  1
  Fe  Fe100  1  0.331271  0.664954  0.609805  1
  Fe  Fe101  1  0.756080  0.423553  0.554227  1
  Fe  Fe102  1  0.725349  0.726136  0.572646  1
  Fe  Fe103  1  0.089824  0.089809  0.554227  1
  Fe  Fe104  1  0.058981  0.392697  0.572737  1
  Fe  Fe105  1  0.028715  0.695708  0.591285  1
  Fe  Fe106  1  0.392422  0.059062  0.572646  1
  Fe  Fe107  1  0.362009  0.362414  0.591285  1
  Fe  Fe108  1  0.694983  0.028680  0.591081  1
  Fe  Fe109  1  0.420522  0.754169  0.656198  1
  Fe  Fe110  1  0.755077  0.422010  0.655920  1
  Fe  Fe111  1  0.815039  0.816193  0.618706  1
  Fe  Fe112  1  0.088360  0.088727  0.655920  1
  Fe  Fe113  1  0.149180  0.482857  0.618962  1
  Fe  Fe114  1  0.120020  0.785587  0.637663  1
  Fe  Fe115  1  0.482519  0.148712  0.618706  1
  Fe  Fe116  1  0.451930  0.453679  0.637663  1
  Fe  Fe117  1  0.785532  0.119190  0.637211  1
  Fe  Fe118  1  0.238011  0.571640  0.665398  1
  Fe  Fe119  1  0.664244  0.332031  0.609626  1
  Fe  Fe120  1  0.634232  0.635124  0.628587  1
  Fe  Fe121  1  0.998348  0.997926  0.609626  1
  Fe  Fe122  1  0.966623  0.300293  0.627734  1
  Fe  Fe123  1  0.936229  0.605250  0.646764  1
  Fe  Fe124  1  0.301452  0.967903  0.628587  1
  Fe  Fe125  1  0.271596  0.269881  0.646763  1
  Fe  Fe126  1  0.603174  0.936828  0.647054  1
  Fe  Fe127  1  0.320611  0.654218  0.712405  1
  Fe  Fe128  1  0.651621  0.317695  0.711777  1
  Fe  Fe129  1  0.727144  0.726332  0.675598  1
  Fe  Fe130  1  0.984089  0.985221  0.711778  1
  Fe  Fe131  1  0.056557  0.390177  0.673066  1
  Fe  Fe132  1  0.021911  0.696849  0.694135  1
  Fe  Fe133  1  0.392699  0.060781  0.675597  1
  Fe  Fe134  1  0.363233  0.355510  0.694135  1
  Fe  Fe135  1  0.692002  0.025597  0.694416  1
  Fe  Fe136  1  0.132935  0.466524  0.720399  1
  Fe  Fe137  1  0.574009  0.239386  0.664139  1
  Fe  Fe138  1  0.544234  0.543797  0.684613  1
  Fe  Fe139  1  0.905757  0.907641  0.664139  1
  Fe  Fe140  1  0.876015  0.209645  0.684247  1
  Fe  Fe141  1  0.842575  0.504074  0.703471  1
  Fe  Fe142  1  0.210167  0.877868  0.684613  1
  Fe  Fe143  1  0.170467  0.176164  0.703471  1
  Fe  Fe144  1  0.506516  0.840131  0.703436  1
