# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.05373326
_cell_length_b   11.04094308
_cell_length_c   46.77198389
_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   6741.036779
_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  0.053125  0.790610  0.281968  1
  Fe  Fe2  1  0.218959  0.719905  0.300707  1
  Fe  Fe3  1  0.052293  0.219905  0.300707  1
  Fe  Fe4  1  0.386458  0.790610  0.281968  1
  Fe  Fe5  1  0.552293  0.719905  0.300707  1
  Fe  Fe6  1  0.219791  0.290610  0.281968  1
  Fe  Fe7  1  0.385626  0.219905  0.300707  1
  Fe  Fe8  1  0.719791  0.790610  0.281968  1
  Fe  Fe9  1  0.885626  0.719905  0.300707  1
  Fe  Fe10  1  0.553125  0.290610  0.281968  1
  Fe  Fe11  1  0.718959  0.219905  0.300707  1
  Fe  Fe12  1  0.886458  0.290610  0.281968  1
  Fe  Fe13  1  0.107854  0.431319  0.309212  1
  Fe  Fe14  1  0.277290  0.510022  0.290994  1
  Fe  Fe15  1  0.110623  0.010022  0.290994  1
  Fe  Fe16  1  0.441187  0.431319  0.309212  1
  Fe  Fe17  1  0.610623  0.510022  0.290994  1
  Fe  Fe18  1  0.274521  0.931319  0.309212  1
  Fe  Fe19  1  0.443957  0.010022  0.290994  1
  Fe  Fe20  1  0.774521  0.431319  0.309212  1
  Fe  Fe21  1  0.943957  0.510022  0.290994  1
  Fe  Fe22  1  0.607854  0.931319  0.309212  1
  Fe  Fe23  1  0.777290  0.010022  0.290994  1
  Fe  Fe24  1  0.941187  0.931319  0.309212  1
  Fe  Fe25  1  0.057333  0.640381  0.320943  1
  Fe  Fe26  1  0.224225  0.565100  0.341381  1
  Fe  Fe27  1  0.057558  0.065100  0.341381  1
  Fe  Fe28  1  0.390667  0.640381  0.320943  1
  Fe  Fe29  1  0.557558  0.565100  0.341381  1
  Fe  Fe30  1  0.224000  0.140381  0.320943  1
  Fe  Fe31  1  0.390892  0.065100  0.341381  1
  Fe  Fe32  1  0.724000  0.640381  0.320943  1
  Fe  Fe33  1  0.890892  0.565100  0.341381  1
  Fe  Fe34  1  0.557333  0.140381  0.320943  1
  Fe  Fe35  1  0.724225  0.065100  0.341381  1
  Fe  Fe36  1  0.890667  0.140381  0.320943  1
  Fe  Fe37  1  0.109682  0.277646  0.349924  1
  Fe  Fe38  1  0.273961  0.354524  0.330937  1
  Fe  Fe39  1  0.107294  0.854524  0.330937  1
  Fe  Fe40  1  0.443016  0.277646  0.349924  1
  Fe  Fe41  1  0.607294  0.354524  0.330937  1
  Fe  Fe42  1  0.276349  0.777646  0.349924  1
  Fe  Fe43  1  0.440627  0.854524  0.330937  1
  Fe  Fe44  1  0.776349  0.277646  0.349924  1
  Fe  Fe45  1  0.940627  0.354524  0.330937  1
  Fe  Fe46  1  0.609682  0.777646  0.349924  1
  Fe  Fe47  1  0.773961  0.854524  0.330937  1
  Fe  Fe48  1  0.943016  0.777646  0.349924  1
  Fe  Fe49  1  0.056801  0.488276  0.360308  1
  Fe  Fe50  1  0.223076  0.412203  0.381052  1
  Fe  Fe51  1  0.056410  0.912203  0.381052  1
  Fe  Fe52  1  0.390135  0.488276  0.360308  1
  Fe  Fe53  1  0.556410  0.412203  0.381052  1
  Fe  Fe54  1  0.223468  0.988276  0.360308  1
  Fe  Fe55  1  0.389743  0.912203  0.381052  1
  Fe  Fe56  1  0.723468  0.488276  0.360308  1
  Fe  Fe57  1  0.889743  0.412203  0.381052  1
  Fe  Fe58  1  0.556801  0.988276  0.360308  1
  Fe  Fe59  1  0.723076  0.912203  0.381052  1
  Fe  Fe60  1  0.890135  0.988276  0.360308  1
  Fe  Fe61  1  0.111980  0.124893  0.390660  1
  Fe  Fe62  1  0.277492  0.200993  0.370606  1
  Fe  Fe63  1  0.110826  0.700993  0.370606  1
  Fe  Fe64  1  0.445313  0.124893  0.390660  1
  Fe  Fe65  1  0.610826  0.200993  0.370606  1
  Fe  Fe66  1  0.278647  0.624893  0.390660  1
  Fe  Fe67  1  0.444159  0.700993  0.370606  1
  Fe  Fe68  1  0.778647  0.124893  0.390660  1
  Fe  Fe69  1  0.944159  0.200993  0.370606  1
  Fe  Fe70  1  0.611980  0.624893  0.390660  1
  Fe  Fe71  1  0.777492  0.700993  0.370606  1
  Fe  Fe72  1  0.945313  0.624893  0.390660  1
  Fe  Fe73  1  0.056654  0.336185  0.400548  1
  Fe  Fe74  1  0.223635  0.259893  0.420864  1
  Fe  Fe75  1  0.056968  0.759893  0.420864  1
  Fe  Fe76  1  0.389988  0.336185  0.400548  1
  Fe  Fe77  1  0.556968  0.259893  0.420864  1
  Fe  Fe78  1  0.223321  0.836185  0.400548  1
  Fe  Fe79  1  0.390301  0.759893  0.420864  1
  Fe  Fe80  1  0.723321  0.336185  0.400548  1
  Fe  Fe81  1  0.890301  0.259893  0.420864  1
  Fe  Fe82  1  0.556654  0.836185  0.400548  1
  Fe  Fe83  1  0.723635  0.759893  0.420864  1
  Fe  Fe84  1  0.889988  0.836185  0.400548  1
  Fe  Fe85  1  0.112078  0.972064  0.430753  1
  Fe  Fe86  1  0.278489  0.048250  0.410563  1
  Fe  Fe87  1  0.111822  0.548250  0.410563  1
  Fe  Fe88  1  0.445412  0.972064  0.430753  1
  Fe  Fe89  1  0.611822  0.048250  0.410563  1
  Fe  Fe90  1  0.278745  0.472064  0.430753  1
  Fe  Fe91  1  0.445156  0.548250  0.410563  1
  Fe  Fe92  1  0.778745  0.972064  0.430753  1
  Fe  Fe93  1  0.945156  0.048250  0.410563  1
  Fe  Fe94  1  0.612078  0.472064  0.430753  1
  Fe  Fe95  1  0.778489  0.548250  0.410563  1
  Fe  Fe96  1  0.945412  0.472064  0.430753  1
  Fe  Fe97  1  0.056898  0.183771  0.440708  1
  Fe  Fe98  1  0.223703  0.107415  0.460740  1
  Fe  Fe99  1  0.057037  0.607415  0.460740  1
  Fe  Fe100  1  0.390232  0.183771  0.440708  1
  Fe  Fe101  1  0.557037  0.107415  0.460740  1
  Fe  Fe102  1  0.223565  0.683771  0.440708  1
  Fe  Fe103  1  0.390370  0.607415  0.460740  1
  Fe  Fe104  1  0.723565  0.183771  0.440708  1
  Fe  Fe105  1  0.890370  0.107415  0.460740  1
  Fe  Fe106  1  0.556898  0.683771  0.440708  1
  Fe  Fe107  1  0.723703  0.607415  0.460740  1
  Fe  Fe108  1  0.890232  0.683771  0.440708  1
  Fe  Fe109  1  0.112155  0.819435  0.470749  1
  Fe  Fe110  1  0.278729  0.895700  0.450639  1
  Fe  Fe111  1  0.112062  0.395700  0.450639  1
  Fe  Fe112  1  0.445488  0.819435  0.470749  1
  Fe  Fe113  1  0.612062  0.895700  0.450639  1
  Fe  Fe114  1  0.278821  0.319435  0.470749  1
  Fe  Fe115  1  0.445395  0.395700  0.450639  1
  Fe  Fe116  1  0.778821  0.819435  0.470749  1
  Fe  Fe117  1  0.945395  0.895700  0.450639  1
  Fe  Fe118  1  0.612155  0.319435  0.470749  1
  Fe  Fe119  1  0.778729  0.395700  0.450639  1
  Fe  Fe120  1  0.945488  0.319435  0.470749  1
  Fe  Fe121  1  0.057019  0.031247  0.480747  1
  Fe  Fe122  1  0.223742  0.954936  0.500760  1
  Fe  Fe123  1  0.057075  0.454936  0.500760  1
  Fe  Fe124  1  0.390353  0.031247  0.480747  1
  Fe  Fe125  1  0.557075  0.954936  0.500760  1
  Fe  Fe126  1  0.223686  0.531247  0.480747  1
  Fe  Fe127  1  0.390409  0.454936  0.500760  1
  Fe  Fe128  1  0.723686  0.031247  0.480747  1
  Fe  Fe129  1  0.890409  0.954936  0.500760  1
  Fe  Fe130  1  0.557019  0.531247  0.480747  1
  Fe  Fe131  1  0.723742  0.454936  0.500760  1
  Fe  Fe132  1  0.890353  0.531247  0.480747  1
  Fe  Fe133  1  0.112246  0.666864  0.510731  1
  Fe  Fe134  1  0.278856  0.743175  0.490718  1
  Fe  Fe135  1  0.112190  0.243175  0.490718  1
  Fe  Fe136  1  0.445579  0.666864  0.510731  1
  Fe  Fe137  1  0.612190  0.743175  0.490718  1
  Fe  Fe138  1  0.278912  0.166864  0.510731  1
  Fe  Fe139  1  0.445523  0.243175  0.490718  1
  Fe  Fe140  1  0.778912  0.666864  0.510731  1
  Fe  Fe141  1  0.945523  0.743175  0.490718  1
  Fe  Fe142  1  0.612246  0.166864  0.510731  1
  Fe  Fe143  1  0.778856  0.243175  0.490718  1
  Fe  Fe144  1  0.945579  0.166864  0.510731  1
  Fe  Fe145  1  0.057110  0.878676  0.520729  1
  Fe  Fe146  1  0.223870  0.802411  0.540839  1
  Fe  Fe147  1  0.057203  0.302411  0.540839  1
  Fe  Fe148  1  0.390444  0.878676  0.520729  1
  Fe  Fe149  1  0.557203  0.802411  0.540839  1
  Fe  Fe150  1  0.223777  0.378676  0.520729  1
  Fe  Fe151  1  0.390536  0.302411  0.540839  1
  Fe  Fe152  1  0.723777  0.878676  0.520729  1
  Fe  Fe153  1  0.890536  0.802411  0.540839  1
  Fe  Fe154  1  0.557110  0.378676  0.520729  1
  Fe  Fe155  1  0.723870  0.302411  0.540839  1
  Fe  Fe156  1  0.890444  0.378676  0.520729  1
  Fe  Fe157  1  0.112367  0.514340  0.550770  1
  Fe  Fe158  1  0.278895  0.590696  0.530738  1
  Fe  Fe159  1  0.112229  0.090696  0.530738  1
  Fe  Fe160  1  0.445700  0.514340  0.550770  1
  Fe  Fe161  1  0.612229  0.590696  0.530738  1
  Fe  Fe162  1  0.279033  0.014340  0.550770  1
  Fe  Fe163  1  0.445562  0.090696  0.530738  1
  Fe  Fe164  1  0.779033  0.514340  0.550770  1
  Fe  Fe165  1  0.945562  0.590696  0.530738  1
  Fe  Fe166  1  0.612367  0.014340  0.550770  1
  Fe  Fe167  1  0.778895  0.090696  0.530738  1
  Fe  Fe168  1  0.945700  0.014340  0.550770  1
  Fe  Fe169  1  0.057187  0.726047  0.560725  1
  Fe  Fe170  1  0.224109  0.649861  0.580915  1
  Fe  Fe171  1  0.057443  0.149861  0.580915  1
  Fe  Fe172  1  0.390520  0.726047  0.560725  1
  Fe  Fe173  1  0.557443  0.649861  0.580915  1
  Fe  Fe174  1  0.223853  0.226047  0.560725  1
  Fe  Fe175  1  0.390776  0.149861  0.580915  1
  Fe  Fe176  1  0.723853  0.726047  0.560725  1
  Fe  Fe177  1  0.890776  0.649861  0.580915  1
  Fe  Fe178  1  0.557187  0.226047  0.560725  1
  Fe  Fe179  1  0.724109  0.149861  0.580915  1
  Fe  Fe180  1  0.890520  0.226047  0.560725  1
  Fe  Fe181  1  0.112611  0.361926  0.590930  1
  Fe  Fe182  1  0.278964  0.438218  0.570614  1
  Fe  Fe183  1  0.112297  0.938218  0.570614  1
  Fe  Fe184  1  0.445944  0.361926  0.590930  1
  Fe  Fe185  1  0.612297  0.438218  0.570614  1
  Fe  Fe186  1  0.279277  0.861926  0.590930  1
  Fe  Fe187  1  0.445630  0.938218  0.570614  1
  Fe  Fe188  1  0.779277  0.361926  0.590930  1
  Fe  Fe189  1  0.945630  0.438218  0.570614  1
  Fe  Fe190  1  0.612611  0.861926  0.590930  1
  Fe  Fe191  1  0.778964  0.938218  0.570614  1
  Fe  Fe192  1  0.945944  0.861926  0.590930  1
  Fe  Fe193  1  0.057285  0.573218  0.600818  1
  Fe  Fe194  1  0.225106  0.497118  0.620872  1
  Fe  Fe195  1  0.058439  0.997118  0.620872  1
  Fe  Fe196  1  0.390618  0.573218  0.600818  1
  Fe  Fe197  1  0.558439  0.497118  0.620872  1
  Fe  Fe198  1  0.223952  0.073218  0.600818  1
  Fe  Fe199  1  0.391773  0.997118  0.620872  1
  Fe  Fe200  1  0.723952  0.573218  0.600818  1
  Fe  Fe201  1  0.891773  0.497118  0.620872  1
  Fe  Fe202  1  0.557285  0.073218  0.600818  1
  Fe  Fe203  1  0.725106  0.997118  0.620872  1
  Fe  Fe204  1  0.890618  0.073218  0.600818  1
  Fe  Fe205  1  0.112464  0.209835  0.631170  1
  Fe  Fe206  1  0.279522  0.285909  0.610426  1
  Fe  Fe207  1  0.112855  0.785909  0.610426  1
  Fe  Fe208  1  0.445797  0.209835  0.631170  1
  Fe  Fe209  1  0.612855  0.285909  0.610426  1
  Fe  Fe210  1  0.279130  0.709835  0.631170  1
  Fe  Fe211  1  0.446189  0.785909  0.610426  1
  Fe  Fe212  1  0.779130  0.209835  0.631170  1
  Fe  Fe213  1  0.946189  0.285909  0.610426  1
  Fe  Fe214  1  0.612464  0.709835  0.631170  1
  Fe  Fe215  1  0.779522  0.785909  0.610426  1
  Fe  Fe216  1  0.945797  0.709835  0.631170  1
  Fe  Fe217  1  0.059583  0.420465  0.641554  1
  Fe  Fe218  1  0.228638  0.343587  0.660541  1
  Fe  Fe219  1  0.061971  0.843587  0.660541  1
  Fe  Fe220  1  0.392916  0.420465  0.641554  1
  Fe  Fe221  1  0.561971  0.343587  0.660541  1
  Fe  Fe222  1  0.226249  0.920465  0.641554  1
  Fe  Fe223  1  0.395304  0.843587  0.660541  1
  Fe  Fe224  1  0.726249  0.420465  0.641554  1
  Fe  Fe225  1  0.895304  0.343587  0.660541  1
  Fe  Fe226  1  0.559583  0.920465  0.641554  1
  Fe  Fe227  1  0.728638  0.843587  0.660541  1
  Fe  Fe228  1  0.892916  0.920465  0.641554  1
  Fe  Fe229  1  0.111932  0.057730  0.670535  1
  Fe  Fe230  1  0.278373  0.133011  0.650097  1
  Fe  Fe231  1  0.111707  0.633011  0.650097  1
  Fe  Fe232  1  0.445265  0.057730  0.670535  1
  Fe  Fe233  1  0.611707  0.133011  0.650097  1
  Fe  Fe234  1  0.278598  0.557730  0.670535  1
  Fe  Fe235  1  0.445040  0.633011  0.650097  1
  Fe  Fe236  1  0.778598  0.057730  0.670535  1
  Fe  Fe237  1  0.945040  0.133011  0.650097  1
  Fe  Fe238  1  0.611932  0.557730  0.670535  1
  Fe  Fe239  1  0.778373  0.633011  0.650097  1
  Fe  Fe240  1  0.945265  0.557730  0.670535  1
  Fe  Fe241  1  0.061411  0.266792  0.682266  1
  Fe  Fe242  1  0.225308  0.188089  0.700484  1
  Fe  Fe243  1  0.058642  0.688089  0.700484  1
  Fe  Fe244  1  0.394744  0.266792  0.682266  1
  Fe  Fe245  1  0.558642  0.188089  0.700484  1
  Fe  Fe246  1  0.228078  0.766792  0.682266  1
  Fe  Fe247  1  0.391975  0.688089  0.700484  1
  Fe  Fe248  1  0.728078  0.266792  0.682266  1
  Fe  Fe249  1  0.891975  0.188089  0.700484  1
  Fe  Fe250  1  0.561411  0.766792  0.682266  1
  Fe  Fe251  1  0.725308  0.688089  0.700484  1
  Fe  Fe252  1  0.894744  0.766792  0.682266  1
  Fe  Fe253  1  0.116140  0.907501  0.709510  1
  Fe  Fe254  1  0.283639  0.978206  0.690771  1
  Fe  Fe255  1  0.116973  0.478206  0.690771  1
  Fe  Fe256  1  0.449474  0.907501  0.709510  1
  Fe  Fe257  1  0.616973  0.978206  0.690771  1
  Fe  Fe258  1  0.282807  0.407501  0.709510  1
  Fe  Fe259  1  0.450306  0.478206  0.690771  1
  Fe  Fe260  1  0.782807  0.907501  0.709510  1
  Fe  Fe261  1  0.950306  0.978206  0.690771  1
  Fe  Fe262  1  0.616140  0.407501  0.709510  1
  Fe  Fe263  1  0.783639  0.478206  0.690771  1
  Fe  Fe264  1  0.949474  0.407501  0.709510  1
