# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.20245400
_cell_length_b   11.68621777
_cell_length_c   48.67302639
_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   6940.79959251
_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  0.141304  0.833984  0.273444  1
  Fe  Fe2  1  0.307971  0.747485  0.292994  1
  Fe  Fe3  1  0.141304  0.247485  0.292994  1
  Fe  Fe4  1  0.474637  0.833984  0.273444  1
  Fe  Fe5  1  0.641304  0.747485  0.292994  1
  Fe  Fe6  1  0.307971  0.333984  0.273444  1
  Fe  Fe7  1  0.474637  0.247485  0.292994  1
  Fe  Fe8  1  0.807971  0.833984  0.273444  1
  Fe  Fe9  1  0.974637  0.747485  0.292994  1
  Fe  Fe10  1  0.641304  0.333984  0.273444  1
  Fe  Fe11  1  0.807971  0.247485  0.292994  1
  Fe  Fe12  1  0.974637  0.333984  0.273444  1
  Fe  Fe13  1  0.141304  0.451423  0.301903  1
  Fe  Fe14  1  0.307971  0.542984  0.282689  1
  Fe  Fe15  1  0.141304  0.042984  0.282689  1
  Fe  Fe16  1  0.474637  0.451423  0.301903  1
  Fe  Fe17  1  0.641304  0.542984  0.282689  1
  Fe  Fe18  1  0.307971  0.951423  0.301903  1
  Fe  Fe19  1  0.474637  0.042984  0.282689  1
  Fe  Fe20  1  0.807971  0.451423  0.301903  1
  Fe  Fe21  1  0.974637  0.542984  0.282689  1
  Fe  Fe22  1  0.641304  0.951423  0.301903  1
  Fe  Fe23  1  0.807971  0.042984  0.282689  1
  Fe  Fe24  1  0.974637  0.951423  0.301903  1
  Fe  Fe25  1  0.141304  0.657959  0.311692  1
  Fe  Fe26  1  0.307971  0.571069  0.332663  1
  Fe  Fe27  1  0.141304  0.071069  0.332663  1
  Fe  Fe28  1  0.474637  0.657959  0.311692  1
  Fe  Fe29  1  0.641304  0.571069  0.332663  1
  Fe  Fe30  1  0.307971  0.157959  0.311692  1
  Fe  Fe31  1  0.474637  0.071069  0.332663  1
  Fe  Fe32  1  0.807971  0.657959  0.311692  1
  Fe  Fe33  1  0.974637  0.571069  0.332663  1
  Fe  Fe34  1  0.641304  0.157959  0.311692  1
  Fe  Fe35  1  0.807971  0.071069  0.332663  1
  Fe  Fe36  1  0.974637  0.157959  0.311692  1
  Fe  Fe37  1  0.141304  0.276947  0.342705  1
  Fe  Fe38  1  0.307971  0.365245  0.322955  1
  Fe  Fe39  1  0.141304  0.865245  0.322955  1
  Fe  Fe40  1  0.474637  0.276947  0.342705  1
  Fe  Fe41  1  0.641304  0.365245  0.322955  1
  Fe  Fe42  1  0.307971  0.776947  0.342705  1
  Fe  Fe43  1  0.474637  0.865245  0.322955  1
  Fe  Fe44  1  0.807971  0.276947  0.342705  1
  Fe  Fe45  1  0.974637  0.365245  0.322955  1
  Fe  Fe46  1  0.641304  0.776947  0.342705  1
  Fe  Fe47  1  0.807971  0.865245  0.322955  1
  Fe  Fe48  1  0.974637  0.776947  0.342705  1
  Fe  Fe49  1  0.141304  0.483100  0.352442  1
  Fe  Fe50  1  0.307971  0.395477  0.372906  1
  Fe  Fe51  1  0.141304  0.895477  0.372906  1
  Fe  Fe52  1  0.474637  0.483100  0.352442  1
  Fe  Fe53  1  0.641304  0.395477  0.372906  1
  Fe  Fe54  1  0.307971  0.983100  0.352442  1
  Fe  Fe55  1  0.474637  0.895477  0.372906  1
  Fe  Fe56  1  0.807971  0.483100  0.352442  1
  Fe  Fe57  1  0.974637  0.395477  0.372906  1
  Fe  Fe58  1  0.641304  0.983100  0.352442  1
  Fe  Fe59  1  0.807971  0.895477  0.372906  1
  Fe  Fe60  1  0.974637  0.983100  0.352442  1
  Fe  Fe61  1  0.141304  0.101661  0.382814  1
  Fe  Fe62  1  0.307971  0.189049  0.362444  1
  Fe  Fe63  1  0.141304  0.689049  0.362444  1
  Fe  Fe64  1  0.474637  0.101661  0.382814  1
  Fe  Fe65  1  0.641304  0.189049  0.362444  1
  Fe  Fe66  1  0.307971  0.601661  0.382814  1
  Fe  Fe67  1  0.474637  0.689049  0.362444  1
  Fe  Fe68  1  0.807971  0.101661  0.382814  1
  Fe  Fe69  1  0.974637  0.189049  0.362444  1
  Fe  Fe70  1  0.641304  0.601661  0.382814  1
  Fe  Fe71  1  0.807971  0.689049  0.362444  1
  Fe  Fe72  1  0.974637  0.601661  0.382814  1
  Fe  Fe73  1  0.141304  0.307679  0.392873  1
  Fe  Fe74  1  0.307971  0.219895  0.412881  1
  Fe  Fe75  1  0.141304  0.719895  0.412881  1
  Fe  Fe76  1  0.474637  0.307679  0.392873  1
  Fe  Fe77  1  0.641304  0.219895  0.412881  1
  Fe  Fe78  1  0.307971  0.807679  0.392873  1
  Fe  Fe79  1  0.474637  0.719895  0.412881  1
  Fe  Fe80  1  0.807971  0.307679  0.392873  1
  Fe  Fe81  1  0.974637  0.219895  0.412881  1
  Fe  Fe82  1  0.641304  0.807679  0.392873  1
  Fe  Fe83  1  0.807971  0.719895  0.412881  1
  Fe  Fe84  1  0.974637  0.807679  0.392873  1
  Fe  Fe85  1  0.141304  0.926135  0.423062  1
  Fe  Fe86  1  0.307971  0.013809  0.402835  1
  Fe  Fe87  1  0.141304  0.513809  0.402835  1
  Fe  Fe88  1  0.474637  0.926135  0.423062  1
  Fe  Fe89  1  0.641304  0.013809  0.402835  1
  Fe  Fe90  1  0.307971  0.426135  0.423062  1
  Fe  Fe91  1  0.474637  0.513809  0.402835  1
  Fe  Fe92  1  0.807971  0.926135  0.423062  1
  Fe  Fe93  1  0.974637  0.013809  0.402835  1
  Fe  Fe94  1  0.641304  0.426135  0.423062  1
  Fe  Fe95  1  0.807971  0.513809  0.402835  1
  Fe  Fe96  1  0.974637  0.426135  0.423062  1
  Fe  Fe97  1  0.141304  0.132278  0.433059  1
  Fe  Fe98  1  0.307971  0.044515  0.453141  1
  Fe  Fe99  1  0.141304  0.544515  0.453141  1
  Fe  Fe100  1  0.474637  0.132278  0.433059  1
  Fe  Fe101  1  0.641304  0.044515  0.453141  1
  Fe  Fe102  1  0.307971  0.632278  0.433059  1
  Fe  Fe103  1  0.474637  0.544515  0.453141  1
  Fe  Fe104  1  0.807971  0.132278  0.433059  1
  Fe  Fe105  1  0.974637  0.044515  0.453141  1
  Fe  Fe106  1  0.641304  0.632278  0.433059  1
  Fe  Fe107  1  0.807971  0.544515  0.453141  1
  Fe  Fe108  1  0.974637  0.632278  0.433059  1
  Fe  Fe109  1  0.141304  0.750647  0.463205  1
  Fe  Fe110  1  0.307971  0.838374  0.443119  1
  Fe  Fe111  1  0.141304  0.338374  0.443119  1
  Fe  Fe112  1  0.474637  0.750647  0.463205  1
  Fe  Fe113  1  0.641304  0.838374  0.443119  1
  Fe  Fe114  1  0.307971  0.250647  0.463205  1
  Fe  Fe115  1  0.474637  0.338374  0.443119  1
  Fe  Fe116  1  0.807971  0.750647  0.463205  1
  Fe  Fe117  1  0.974637  0.838374  0.443119  1
  Fe  Fe118  1  0.641304  0.250647  0.463205  1
  Fe  Fe119  1  0.807971  0.338374  0.443119  1
  Fe  Fe120  1  0.974637  0.250647  0.463205  1
  Fe  Fe121  1  0.141304  0.956812  0.473298  1
  Fe  Fe122  1  0.307971  0.869067  0.493385  1
  Fe  Fe123  1  0.141304  0.369067  0.493385  1
  Fe  Fe124  1  0.474637  0.956812  0.473298  1
  Fe  Fe125  1  0.641304  0.869067  0.493385  1
  Fe  Fe126  1  0.307971  0.456812  0.473298  1
  Fe  Fe127  1  0.474637  0.369067  0.493385  1
  Fe  Fe128  1  0.807971  0.956812  0.473298  1
  Fe  Fe129  1  0.974637  0.869067  0.493385  1
  Fe  Fe130  1  0.641304  0.456812  0.473298  1
  Fe  Fe131  1  0.807971  0.369067  0.493385  1
  Fe  Fe132  1  0.974637  0.456812  0.473298  1
  Fe  Fe133  1  0.141304  0.575208  0.503412  1
  Fe  Fe134  1  0.307971  0.662953  0.483325  1
  Fe  Fe135  1  0.141304  0.162953  0.483325  1
  Fe  Fe136  1  0.474637  0.575208  0.503412  1
  Fe  Fe137  1  0.641304  0.662953  0.483325  1
  Fe  Fe138  1  0.307971  0.075208  0.503412  1
  Fe  Fe139  1  0.474637  0.162953  0.483325  1
  Fe  Fe140  1  0.807971  0.575208  0.503412  1
  Fe  Fe141  1  0.974637  0.662953  0.483325  1
  Fe  Fe142  1  0.641304  0.075208  0.503412  1
  Fe  Fe143  1  0.807971  0.162953  0.483325  1
  Fe  Fe144  1  0.974637  0.075208  0.503412  1
  Fe  Fe145  1  0.141304  0.781373  0.513505  1
  Fe  Fe146  1  0.307971  0.693646  0.533590  1
  Fe  Fe147  1  0.141304  0.193646  0.533590  1
  Fe  Fe148  1  0.474637  0.781373  0.513505  1
  Fe  Fe149  1  0.641304  0.693646  0.533590  1
  Fe  Fe150  1  0.307971  0.281373  0.513505  1
  Fe  Fe151  1  0.474637  0.193646  0.533590  1
  Fe  Fe152  1  0.807971  0.781373  0.513505  1
  Fe  Fe153  1  0.974637  0.693646  0.533590  1
  Fe  Fe154  1  0.641304  0.281373  0.513505  1
  Fe  Fe155  1  0.807971  0.193646  0.533590  1
  Fe  Fe156  1  0.974637  0.281373  0.513505  1
  Fe  Fe157  1  0.141304  0.399742  0.543650  1
  Fe  Fe158  1  0.307971  0.487505  0.523569  1
  Fe  Fe159  1  0.141304  0.987505  0.523569  1
  Fe  Fe160  1  0.474637  0.399742  0.543650  1
  Fe  Fe161  1  0.641304  0.487505  0.523569  1
  Fe  Fe162  1  0.307971  0.899742  0.543650  1
  Fe  Fe163  1  0.474637  0.987505  0.523569  1
  Fe  Fe164  1  0.807971  0.399742  0.543650  1
  Fe  Fe165  1  0.974637  0.487505  0.523569  1
  Fe  Fe166  1  0.641304  0.899742  0.543650  1
  Fe  Fe167  1  0.807971  0.987505  0.523569  1
  Fe  Fe168  1  0.974637  0.899742  0.543650  1
  Fe  Fe169  1  0.141304  0.605885  0.553648  1
  Fe  Fe170  1  0.307971  0.518211  0.573875  1
  Fe  Fe171  1  0.141304  0.018211  0.573875  1
  Fe  Fe172  1  0.474637  0.605885  0.553648  1
  Fe  Fe173  1  0.641304  0.518211  0.573875  1
  Fe  Fe174  1  0.307971  0.105885  0.553648  1
  Fe  Fe175  1  0.474637  0.018211  0.573875  1
  Fe  Fe176  1  0.807971  0.605885  0.553648  1
  Fe  Fe177  1  0.974637  0.518211  0.573875  1
  Fe  Fe178  1  0.641304  0.105885  0.553648  1
  Fe  Fe179  1  0.807971  0.018211  0.573875  1
  Fe  Fe180  1  0.974637  0.105885  0.553648  1
  Fe  Fe181  1  0.141304  0.224341  0.583837  1
  Fe  Fe182  1  0.307971  0.312125  0.563829  1
  Fe  Fe183  1  0.141304  0.812125  0.563829  1
  Fe  Fe184  1  0.474637  0.224341  0.583837  1
  Fe  Fe185  1  0.641304  0.312125  0.563829  1
  Fe  Fe186  1  0.307971  0.724341  0.583837  1
  Fe  Fe187  1  0.474637  0.812125  0.563829  1
  Fe  Fe188  1  0.807971  0.224341  0.583837  1
  Fe  Fe189  1  0.974637  0.312125  0.563829  1
  Fe  Fe190  1  0.641304  0.724341  0.583837  1
  Fe  Fe191  1  0.807971  0.812125  0.563829  1
  Fe  Fe192  1  0.974637  0.724341  0.583837  1
  Fe  Fe193  1  0.141304  0.430359  0.593895  1
  Fe  Fe194  1  0.307971  0.342971  0.614266  1
  Fe  Fe195  1  0.141304  0.842971  0.614266  1
  Fe  Fe196  1  0.474637  0.430359  0.593895  1
  Fe  Fe197  1  0.641304  0.342971  0.614266  1
  Fe  Fe198  1  0.307971  0.930359  0.593895  1
  Fe  Fe199  1  0.474637  0.842971  0.614266  1
  Fe  Fe200  1  0.807971  0.430359  0.593895  1
  Fe  Fe201  1  0.974637  0.342971  0.614266  1
  Fe  Fe202  1  0.641304  0.930359  0.593895  1
  Fe  Fe203  1  0.807971  0.842971  0.614266  1
  Fe  Fe204  1  0.974637  0.930359  0.593895  1
  Fe  Fe205  1  0.141304  0.048920  0.624267  1
  Fe  Fe206  1  0.307971  0.136543  0.603804  1
  Fe  Fe207  1  0.141304  0.636543  0.603804  1
  Fe  Fe208  1  0.474637  0.048920  0.624267  1
  Fe  Fe209  1  0.641304  0.136543  0.603804  1
  Fe  Fe210  1  0.307971  0.548920  0.624267  1
  Fe  Fe211  1  0.474637  0.636543  0.603804  1
  Fe  Fe212  1  0.807971  0.048920  0.624267  1
  Fe  Fe213  1  0.974637  0.136543  0.603804  1
  Fe  Fe214  1  0.641304  0.548920  0.624267  1
  Fe  Fe215  1  0.807971  0.636543  0.603804  1
  Fe  Fe216  1  0.974637  0.548920  0.624267  1
  Fe  Fe217  1  0.141304  0.255073  0.634004  1
  Fe  Fe218  1  0.307971  0.166775  0.653755  1
  Fe  Fe219  1  0.141304  0.666775  0.653755  1
  Fe  Fe220  1  0.474637  0.255073  0.634004  1
  Fe  Fe221  1  0.641304  0.166775  0.653755  1
  Fe  Fe222  1  0.307971  0.755073  0.634004  1
  Fe  Fe223  1  0.474637  0.666775  0.653755  1
  Fe  Fe224  1  0.807971  0.255073  0.634004  1
  Fe  Fe225  1  0.974637  0.166775  0.653755  1
  Fe  Fe226  1  0.641304  0.755073  0.634004  1
  Fe  Fe227  1  0.807971  0.666775  0.653755  1
  Fe  Fe228  1  0.974637  0.755073  0.634004  1
  Fe  Fe229  1  0.141304  0.874061  0.665017  1
  Fe  Fe230  1  0.307971  0.960951  0.644046  1
  Fe  Fe231  1  0.141304  0.460951  0.644046  1
  Fe  Fe232  1  0.474637  0.874061  0.665017  1
  Fe  Fe233  1  0.641304  0.960951  0.644046  1
  Fe  Fe234  1  0.307971  0.374061  0.665017  1
  Fe  Fe235  1  0.474637  0.460951  0.644046  1
  Fe  Fe236  1  0.807971  0.874061  0.665017  1
  Fe  Fe237  1  0.974637  0.960951  0.644046  1
  Fe  Fe238  1  0.641304  0.374061  0.665017  1
  Fe  Fe239  1  0.807971  0.460951  0.644046  1
  Fe  Fe240  1  0.974637  0.374061  0.665017  1
  Fe  Fe241  1  0.141304  0.080597  0.674807  1
  Fe  Fe242  1  0.307971  -0.010964  0.694021  1
  Fe  Fe243  1  0.141304  0.489036  0.694021  1
  Fe  Fe244  1  0.474637  0.080597  0.674807  1
  Fe  Fe245  1  0.641304  -0.010964  0.694021  1
  Fe  Fe246  1  0.307971  0.580597  0.674807  1
  Fe  Fe247  1  0.474637  0.489036  0.694021  1
  Fe  Fe248  1  0.807971  0.080597  0.674807  1
  Fe  Fe249  1  0.974637  -0.010964  0.694021  1
  Fe  Fe250  1  0.641304  0.580597  0.674807  1
  Fe  Fe251  1  0.807971  0.489036  0.694021  1
  Fe  Fe252  1  0.974637  0.580597  0.674807  1
  Fe  Fe253  1  0.141304  0.698036  0.703266  1
  Fe  Fe254  1  0.307971  0.784535  0.683716  1
  Fe  Fe255  1  0.141304  0.284535  0.683716  1
  Fe  Fe256  1  0.474637  0.698036  0.703266  1
  Fe  Fe257  1  0.641304  0.784535  0.683716  1
  Fe  Fe258  1  0.307971  0.198036  0.703266  1
  Fe  Fe259  1  0.474637  0.284535  0.683716  1
  Fe  Fe260  1  0.807971  0.698036  0.703266  1
  Fe  Fe261  1  0.974637  0.784535  0.683716  1
  Fe  Fe262  1  0.641304  0.198036  0.703266  1
  Fe  Fe263  1  0.807971  0.284535  0.683716  1
  Fe  Fe264  1  0.974637  0.198036  0.703266  1
