# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.40014097
_cell_length_b   11.39990697
_cell_length_c   47.63613628
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe264
_cell_volume   7276.91334923
_cell_formula_units_Z   264
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  0.060305  0.760589  0.285836  1
  Fe  Fe2  1  0.226768  0.683019  0.303343  1
  Fe  Fe3  1  0.060101  0.183019  0.303343  1
  Fe  Fe4  1  0.393638  0.760589  0.285836  1
  Fe  Fe5  1  0.560101  0.683019  0.303343  1
  Fe  Fe6  1  0.226972  0.260589  0.285836  1
  Fe  Fe7  1  0.393434  0.183019  0.303343  1
  Fe  Fe8  1  0.726972  0.760589  0.285836  1
  Fe  Fe9  1  0.893434  0.683019  0.303343  1
  Fe  Fe10  1  0.560305  0.260589  0.285836  1
  Fe  Fe11  1  0.726768  0.183019  0.303343  1
  Fe  Fe12  1  0.893638  0.260589  0.285836  1
  Fe  Fe13  1  0.114328  0.395928  0.313086  1
  Fe  Fe14  1  0.281315  0.471149  0.294531  1
  Fe  Fe15  1  0.114648  0.971149  0.294531  1
  Fe  Fe16  1  0.447661  0.395928  0.313086  1
  Fe  Fe17  1  0.614648  0.471149  0.294531  1
  Fe  Fe18  1  0.280995  0.895928  0.313086  1
  Fe  Fe19  1  0.447982  0.971149  0.294531  1
  Fe  Fe20  1  0.780995  0.395928  0.313086  1
  Fe  Fe21  1  0.947982  0.471149  0.294531  1
  Fe  Fe22  1  0.614328  0.895928  0.313086  1
  Fe  Fe23  1  0.781315  0.971149  0.294531  1
  Fe  Fe24  1  0.947661  0.895928  0.313086  1
  Fe  Fe25  1  0.060914  0.605724  0.323430  1
  Fe  Fe26  1  0.226950  0.529583  0.343386  1
  Fe  Fe27  1  0.060284  0.029583  0.343386  1
  Fe  Fe28  1  0.394248  0.605724  0.323430  1
  Fe  Fe29  1  0.560284  0.529583  0.343386  1
  Fe  Fe30  1  0.227581  0.105724  0.323430  1
  Fe  Fe31  1  0.393617  0.029583  0.343386  1
  Fe  Fe32  1  0.727581  0.605724  0.323430  1
  Fe  Fe33  1  0.893617  0.529583  0.343386  1
  Fe  Fe34  1  0.560914  0.105724  0.323430  1
  Fe  Fe35  1  0.726950  0.029583  0.343386  1
  Fe  Fe36  1  0.894248  0.105724  0.323430  1
  Fe  Fe37  1  0.116863  0.241040  0.352720  1
  Fe  Fe38  1  0.283391  0.318779  0.334000  1
  Fe  Fe39  1  0.116724  0.818779  0.334000  1
  Fe  Fe40  1  0.450196  0.241040  0.352720  1
  Fe  Fe41  1  0.616724  0.318779  0.334000  1
  Fe  Fe42  1  0.283530  0.741040  0.352720  1
  Fe  Fe43  1  0.450057  0.818779  0.334000  1
  Fe  Fe44  1  0.783530  0.241040  0.352720  1
  Fe  Fe45  1  0.950057  0.318779  0.334000  1
  Fe  Fe46  1  0.616863  0.741040  0.352720  1
  Fe  Fe47  1  0.783391  0.818779  0.334000  1
  Fe  Fe48  1  0.950196  0.741040  0.352720  1
  Fe  Fe49  1  0.061266  0.452098  0.363442  1
  Fe  Fe50  1  0.227274  0.374440  0.383542  1
  Fe  Fe51  1  0.060608  0.874440  0.383542  1
  Fe  Fe52  1  0.394599  0.452098  0.363442  1
  Fe  Fe53  1  0.560608  0.374440  0.383542  1
  Fe  Fe54  1  0.227932  0.952098  0.363442  1
  Fe  Fe55  1  0.393941  0.874440  0.383542  1
  Fe  Fe56  1  0.727932  0.452098  0.363442  1
  Fe  Fe57  1  0.893941  0.374440  0.383542  1
  Fe  Fe58  1  0.561266  0.952098  0.363442  1
  Fe  Fe59  1  0.727274  0.874440  0.383542  1
  Fe  Fe60  1  0.894599  0.952098  0.363442  1
  Fe  Fe61  1  0.116127  0.085689  0.393311  1
  Fe  Fe62  1  0.282830  0.163358  0.373351  1
  Fe  Fe63  1  0.116163  0.663358  0.373351  1
  Fe  Fe64  1  0.449461  0.085689  0.393311  1
  Fe  Fe65  1  0.616163  0.163358  0.373351  1
  Fe  Fe66  1  0.282794  0.585689  0.393311  1
  Fe  Fe67  1  0.449496  0.663358  0.373351  1
  Fe  Fe68  1  0.782794  0.085689  0.393311  1
  Fe  Fe69  1  0.949496  0.163358  0.373351  1
  Fe  Fe70  1  0.616127  0.585689  0.393311  1
  Fe  Fe71  1  0.782830  0.663358  0.373351  1
  Fe  Fe72  1  0.949461  0.585689  0.393311  1
  Fe  Fe73  1  0.060997  0.296496  0.403322  1
  Fe  Fe74  1  0.227548  0.218759  0.423468  1
  Fe  Fe75  1  0.060882  0.718759  0.423468  1
  Fe  Fe76  1  0.394331  0.296496  0.403322  1
  Fe  Fe77  1  0.560882  0.218759  0.423468  1
  Fe  Fe78  1  0.227664  0.796496  0.403322  1
  Fe  Fe79  1  0.394215  0.718759  0.423468  1
  Fe  Fe80  1  0.727664  0.296496  0.403322  1
  Fe  Fe81  1  0.894215  0.218759  0.423468  1
  Fe  Fe82  1  0.560997  0.796496  0.403322  1
  Fe  Fe83  1  0.727548  0.718759  0.423468  1
  Fe  Fe84  1  0.894331  0.796496  0.403322  1
  Fe  Fe85  1  0.116163  0.929773  0.433527  1
  Fe  Fe86  1  0.282663  0.007784  0.413548  1
  Fe  Fe87  1  0.115997  0.507784  0.413548  1
  Fe  Fe88  1  0.449496  0.929773  0.433527  1
  Fe  Fe89  1  0.615997  0.007784  0.413548  1
  Fe  Fe90  1  0.282829  0.429773  0.433527  1
  Fe  Fe91  1  0.449330  0.507784  0.413548  1
  Fe  Fe92  1  0.782829  0.929773  0.433527  1
  Fe  Fe93  1  0.949330  0.007784  0.413548  1
  Fe  Fe94  1  0.616163  0.429773  0.433527  1
  Fe  Fe95  1  0.782663  0.507784  0.413548  1
  Fe  Fe96  1  0.949496  0.429773  0.433527  1
  Fe  Fe97  1  0.060978  0.140837  0.443527  1
  Fe  Fe98  1  0.227579  0.062943  0.463635  1
  Fe  Fe99  1  0.060912  0.562943  0.463635  1
  Fe  Fe100  1  0.394312  0.140837  0.443527  1
  Fe  Fe101  1  0.560912  0.062943  0.463635  1
  Fe  Fe102  1  0.227645  0.640837  0.443527  1
  Fe  Fe103  1  0.394246  0.562943  0.463635  1
  Fe  Fe104  1  0.727645  0.140837  0.443527  1
  Fe  Fe105  1  0.894246  0.062943  0.463635  1
  Fe  Fe106  1  0.560978  0.640837  0.443527  1
  Fe  Fe107  1  0.727579  0.562943  0.463635  1
  Fe  Fe108  1  0.894312  0.640837  0.443527  1
  Fe  Fe109  1  0.116064  0.773941  0.473622  1
  Fe  Fe110  1  0.282703  0.851835  0.453560  1
  Fe  Fe111  1  0.116036  0.351835  0.453560  1
  Fe  Fe112  1  0.449397  0.773941  0.473622  1
  Fe  Fe113  1  0.616036  0.851835  0.453560  1
  Fe  Fe114  1  0.282731  0.273941  0.473622  1
  Fe  Fe115  1  0.449369  0.351835  0.453560  1
  Fe  Fe116  1  0.782731  0.773941  0.473622  1
  Fe  Fe117  1  0.949369  0.851835  0.453560  1
  Fe  Fe118  1  0.616064  0.273941  0.473622  1
  Fe  Fe119  1  0.782703  0.351835  0.453560  1
  Fe  Fe120  1  0.949397  0.273941  0.473622  1
  Fe  Fe121  1  0.060902  0.984953  0.483658  1
  Fe  Fe122  1  0.227604  0.907032  0.503721  1
  Fe  Fe123  1  0.060938  0.407032  0.503721  1
  Fe  Fe124  1  0.394235  0.984953  0.483658  1
  Fe  Fe125  1  0.560938  0.907032  0.503721  1
  Fe  Fe126  1  0.227568  0.484953  0.483658  1
  Fe  Fe127  1  0.394271  0.407032  0.503721  1
  Fe  Fe128  1  0.727568  0.984953  0.483658  1
  Fe  Fe129  1  0.894271  0.907032  0.503721  1
  Fe  Fe130  1  0.560902  0.484953  0.483658  1
  Fe  Fe131  1  0.727604  0.407032  0.503721  1
  Fe  Fe132  1  0.894235  0.484953  0.483658  1
  Fe  Fe133  1  0.116075  0.618108  0.513758  1
  Fe  Fe134  1  0.282706  0.696029  0.493695  1
  Fe  Fe135  1  0.116039  0.196029  0.493695  1
  Fe  Fe136  1  0.449409  0.618108  0.513758  1
  Fe  Fe137  1  0.616039  0.696029  0.493695  1
  Fe  Fe138  1  0.282742  0.118108  0.513758  1
  Fe  Fe139  1  0.449372  0.196029  0.493695  1
  Fe  Fe140  1  0.782742  0.618108  0.513758  1
  Fe  Fe141  1  0.949372  0.696029  0.493695  1
  Fe  Fe142  1  0.616075  0.118108  0.513758  1
  Fe  Fe143  1  0.782706  0.196029  0.493695  1
  Fe  Fe144  1  0.949409  0.118108  0.513758  1
  Fe  Fe145  1  0.060913  0.829120  0.523794  1
  Fe  Fe146  1  0.227608  0.751226  0.543856  1
  Fe  Fe147  1  0.060941  0.251226  0.543856  1
  Fe  Fe148  1  0.394246  0.829120  0.523794  1
  Fe  Fe149  1  0.560941  0.751226  0.543856  1
  Fe  Fe150  1  0.227579  0.329120  0.523794  1
  Fe  Fe151  1  0.394274  0.251226  0.543856  1
  Fe  Fe152  1  0.727579  0.829120  0.523794  1
  Fe  Fe153  1  0.894274  0.751226  0.543856  1
  Fe  Fe154  1  0.560913  0.329120  0.523794  1
  Fe  Fe155  1  0.727608  0.251226  0.543856  1
  Fe  Fe156  1  0.894246  0.329120  0.523794  1
  Fe  Fe157  1  0.115999  0.462224  0.553889  1
  Fe  Fe158  1  0.282731  0.540118  0.533781  1
  Fe  Fe159  1  0.116064  0.040118  0.533781  1
  Fe  Fe160  1  0.449332  0.462224  0.553889  1
  Fe  Fe161  1  0.616064  0.540118  0.533781  1
  Fe  Fe162  1  0.282665  0.962224  0.553889  1
  Fe  Fe163  1  0.449398  0.040118  0.533781  1
  Fe  Fe164  1  0.782665  0.462224  0.553889  1
  Fe  Fe165  1  0.949398  0.540118  0.533781  1
  Fe  Fe166  1  0.615999  0.962224  0.553889  1
  Fe  Fe167  1  0.782731  0.040118  0.533781  1
  Fe  Fe168  1  0.949332  0.962224  0.553889  1
  Fe  Fe169  1  0.060814  0.673288  0.563889  1
  Fe  Fe170  1  0.227647  0.595277  0.583868  1
  Fe  Fe171  1  0.060980  0.095277  0.583868  1
  Fe  Fe172  1  0.394147  0.673288  0.563889  1
  Fe  Fe173  1  0.560980  0.595277  0.583868  1
  Fe  Fe174  1  0.227481  0.173288  0.563889  1
  Fe  Fe175  1  0.394313  0.095277  0.583868  1
  Fe  Fe176  1  0.727481  0.673288  0.563889  1
  Fe  Fe177  1  0.894313  0.595277  0.583868  1
  Fe  Fe178  1  0.560814  0.173288  0.563889  1
  Fe  Fe179  1  0.727647  0.095277  0.583868  1
  Fe  Fe180  1  0.894147  0.173288  0.563889  1
  Fe  Fe181  1  0.115980  0.306565  0.594094  1
  Fe  Fe182  1  0.282762  0.384302  0.573948  1
  Fe  Fe183  1  0.116095  0.884302  0.573948  1
  Fe  Fe184  1  0.449313  0.306565  0.594094  1
  Fe  Fe185  1  0.616095  0.384302  0.573948  1
  Fe  Fe186  1  0.282646  0.806565  0.594094  1
  Fe  Fe187  1  0.449428  0.884302  0.573948  1
  Fe  Fe188  1  0.782646  0.306565  0.594094  1
  Fe  Fe189  1  0.949428  0.384302  0.573948  1
  Fe  Fe190  1  0.615980  0.806565  0.594094  1
  Fe  Fe191  1  0.782762  0.884302  0.573948  1
  Fe  Fe192  1  0.949313  0.806565  0.594094  1
  Fe  Fe193  1  0.060849  0.517372  0.604105  1
  Fe  Fe194  1  0.227480  0.439703  0.624065  1
  Fe  Fe195  1  0.060814  0.939703  0.624065  1
  Fe  Fe196  1  0.394183  0.517372  0.604105  1
  Fe  Fe197  1  0.560814  0.439703  0.624065  1
  Fe  Fe198  1  0.227516  0.017372  0.604105  1
  Fe  Fe199  1  0.394147  0.939703  0.624065  1
  Fe  Fe200  1  0.727516  0.517372  0.604105  1
  Fe  Fe201  1  0.894147  0.439703  0.624065  1
  Fe  Fe202  1  0.560849  0.017372  0.604105  1
  Fe  Fe203  1  0.727480  0.939703  0.624065  1
  Fe  Fe204  1  0.894183  0.017372  0.604105  1
  Fe  Fe205  1  0.115711  0.150963  0.633974  1
  Fe  Fe206  1  0.283036  0.228621  0.613874  1
  Fe  Fe207  1  0.116369  0.728621  0.613874  1
  Fe  Fe208  1  0.449044  0.150963  0.633974  1
  Fe  Fe209  1  0.616369  0.228621  0.613874  1
  Fe  Fe210  1  0.282378  0.650963  0.633974  1
  Fe  Fe211  1  0.449702  0.728621  0.613874  1
  Fe  Fe212  1  0.782378  0.150963  0.633974  1
  Fe  Fe213  1  0.949702  0.228621  0.613874  1
  Fe  Fe214  1  0.615711  0.650963  0.633974  1
  Fe  Fe215  1  0.783036  0.728621  0.613874  1
  Fe  Fe216  1  0.949044  0.650963  0.633974  1
  Fe  Fe217  1  0.060114  0.362022  0.644696  1
  Fe  Fe218  1  0.226919  0.284282  0.663416  1
  Fe  Fe219  1  0.060253  0.784282  0.663416  1
  Fe  Fe220  1  0.393447  0.362022  0.644696  1
  Fe  Fe221  1  0.560253  0.284282  0.663416  1
  Fe  Fe222  1  0.226781  0.862022  0.644696  1
  Fe  Fe223  1  0.393586  0.784282  0.663416  1
  Fe  Fe224  1  0.726781  0.362022  0.644696  1
  Fe  Fe225  1  0.893586  0.284282  0.663416  1
  Fe  Fe226  1  0.560114  0.862022  0.644696  1
  Fe  Fe227  1  0.726919  0.784282  0.663416  1
  Fe  Fe228  1  0.893447  0.862022  0.644696  1
  Fe  Fe229  1  0.116062  0.997338  0.673986  1
  Fe  Fe230  1  0.283360  0.073478  0.654030  1
  Fe  Fe231  1  0.116693  0.573478  0.654030  1
  Fe  Fe232  1  0.449396  0.997338  0.673986  1
  Fe  Fe233  1  0.616693  0.073478  0.654030  1
  Fe  Fe234  1  0.282729  0.497338  0.673986  1
  Fe  Fe235  1  0.450026  0.573478  0.654030  1
  Fe  Fe236  1  0.782729  0.997338  0.673986  1
  Fe  Fe237  1  0.950026  0.073478  0.654030  1
  Fe  Fe238  1  0.616062  0.497338  0.673986  1
  Fe  Fe239  1  0.783360  0.573478  0.654030  1
  Fe  Fe240  1  0.949396  0.497338  0.673986  1
  Fe  Fe241  1  0.062649  0.207133  0.684330  1
  Fe  Fe242  1  0.228995  0.131912  0.702885  1
  Fe  Fe243  1  0.062328  0.631912  0.702885  1
  Fe  Fe244  1  0.395982  0.207133  0.684330  1
  Fe  Fe245  1  0.562328  0.131912  0.702885  1
  Fe  Fe246  1  0.229315  0.707133  0.684330  1
  Fe  Fe247  1  0.395662  0.631912  0.702885  1
  Fe  Fe248  1  0.729315  0.207133  0.684330  1
  Fe  Fe249  1  0.895662  0.131912  0.702885  1
  Fe  Fe250  1  0.562649  0.707133  0.684330  1
  Fe  Fe251  1  0.728995  0.631912  0.702885  1
  Fe  Fe252  1  0.895982  0.707133  0.684330  1
  Fe  Fe253  1  0.116672  0.842472  0.711580  1
  Fe  Fe254  1  0.283543  0.920042  0.694073  1
  Fe  Fe255  1  0.116876  0.420042  0.694073  1
  Fe  Fe256  1  0.450005  0.842472  0.711580  1
  Fe  Fe257  1  0.616876  0.920042  0.694073  1
  Fe  Fe258  1  0.283338  0.342472  0.711580  1
  Fe  Fe259  1  0.450209  0.420042  0.694073  1
  Fe  Fe260  1  0.783338  0.842472  0.711580  1
  Fe  Fe261  1  0.950209  0.920042  0.694073  1
  Fe  Fe262  1  0.616672  0.342472  0.711580  1
  Fe  Fe263  1  0.783543  0.420042  0.694073  1
  Fe  Fe264  1  0.950005  0.342472  0.711580  1
