# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.70685313
_cell_length_b   21.98783854
_cell_length_c   47.81826458
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe576
_cell_volume   13153.0949946
_cell_formula_units_Z   576
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  0.171215  0.765053  0.267592  1
  Fe  Fe2  1  0.837882  0.598387  0.267592  1
  Fe  Fe3  1  0.792117  0.744705  0.286423  1
  Fe  Fe4  1  0.171215  0.265053  0.267592  1
  Fe  Fe5  1  0.125450  0.411371  0.286423  1
  Fe  Fe6  1  0.075432  0.567888  0.308383  1
  Fe  Fe7  1  0.504549  0.431720  0.267592  1
  Fe  Fe8  1  0.458783  0.578038  0.286423  1
  Fe  Fe9  1  0.408766  0.734555  0.308383  1
  Fe  Fe10  1  0.837882  0.098387  0.267592  1
  Fe  Fe11  1  0.792117  0.244705  0.286423  1
  Fe  Fe12  1  0.742099  0.401221  0.308383  1
  Fe  Fe13  1  0.125450  0.911371  0.286423  1
  Fe  Fe14  1  0.075432  0.067888  0.308383  1
  Fe  Fe15  1  0.504549  0.931720  0.267592  1
  Fe  Fe16  1  0.458783  0.078038  0.286423  1
  Fe  Fe17  1  0.408766  0.234555  0.308383  1
  Fe  Fe18  1  0.742099  0.901221  0.308383  1
  Fe  Fe19  1  0.936072  0.656835  0.298231  1
  Fe  Fe20  1  0.602738  0.490168  0.298231  1
  Fe  Fe21  1  0.550709  0.644746  0.317507  1
  Fe  Fe22  1  0.936072  0.156835  0.298231  1
  Fe  Fe23  1  0.884043  0.311413  0.317507  1
  Fe  Fe24  1  0.981668  0.505420  0.277363  1
  Fe  Fe25  1  0.269405  0.323501  0.298231  1
  Fe  Fe26  1  0.217376  0.478079  0.317507  1
  Fe  Fe27  1  0.315002  0.672087  0.277363  1
  Fe  Fe28  1  0.602738  0.990168  0.298231  1
  Fe  Fe29  1  0.550709  0.144746  0.317507  1
  Fe  Fe30  1  0.648335  0.338754  0.277363  1
  Fe  Fe31  1  0.884043  0.811413  0.317507  1
  Fe  Fe32  1  0.981668  0.005420  0.277363  1
  Fe  Fe33  1  0.269405  0.823501  0.298231  1
  Fe  Fe34  1  0.217376  0.978079  0.317507  1
  Fe  Fe35  1  0.315002  0.172087  0.277363  1
  Fe  Fe36  1  0.648335  0.838754  0.277363  1
  Fe  Fe37  1  0.125450  0.661371  0.286423  1
  Fe  Fe38  1  0.792117  0.494705  0.286423  1
  Fe  Fe39  1  0.742099  0.651221  0.308383  1
  Fe  Fe40  1  0.125450  0.161371  0.286423  1
  Fe  Fe41  1  0.075432  0.317888  0.308383  1
  Fe  Fe42  1  0.171215  0.515053  0.267592  1
  Fe  Fe43  1  0.458783  0.328038  0.286423  1
  Fe  Fe44  1  0.408766  0.484555  0.308383  1
  Fe  Fe45  1  0.504549  0.681720  0.267592  1
  Fe  Fe46  1  0.792117  0.994705  0.286423  1
  Fe  Fe47  1  0.742099  0.151221  0.308383  1
  Fe  Fe48  1  0.837882  0.348387  0.267592  1
  Fe  Fe49  1  0.075432  0.817888  0.308383  1
  Fe  Fe50  1  0.171215  0.015053  0.267592  1
  Fe  Fe51  1  0.458783  0.828038  0.286423  1
  Fe  Fe52  1  0.408766  0.984555  0.308383  1
  Fe  Fe53  1  0.504549  0.181720  0.267592  1
  Fe  Fe54  1  0.837882  0.848387  0.267592  1
  Fe  Fe55  1  0.981668  0.755420  0.277363  1
  Fe  Fe56  1  0.648335  0.588754  0.277363  1
  Fe  Fe57  1  0.602738  0.740168  0.298231  1
  Fe  Fe58  1  0.981668  0.255420  0.277363  1
  Fe  Fe59  1  0.936072  0.406835  0.298231  1
  Fe  Fe60  1  0.884043  0.561413  0.317507  1
  Fe  Fe61  1  0.315002  0.422087  0.277363  1
  Fe  Fe62  1  0.269405  0.573501  0.298231  1
  Fe  Fe63  1  0.217376  0.728079  0.317507  1
  Fe  Fe64  1  0.648335  0.088754  0.277363  1
  Fe  Fe65  1  0.602738  0.240168  0.298231  1
  Fe  Fe66  1  0.550709  0.394746  0.317507  1
  Fe  Fe67  1  0.936072  0.906835  0.298231  1
  Fe  Fe68  1  0.884043  0.061413  0.317507  1
  Fe  Fe69  1  0.315002  0.922087  0.277363  1
  Fe  Fe70  1  0.269405  0.073501  0.298231  1
  Fe  Fe71  1  0.217376  0.228079  0.317507  1
  Fe  Fe72  1  0.550709  0.894746  0.317507  1
  Fe  Fe73  1  0.028901  0.722035  0.327015  1
  Fe  Fe74  1  0.695567  0.555369  0.327015  1
  Fe  Fe75  1  0.647277  0.710224  0.347168  1
  Fe  Fe76  1  0.028901  0.222035  0.327015  1
  Fe  Fe77  1  0.980610  0.376891  0.347168  1
  Fe  Fe78  1  0.933970  0.531100  0.366369  1
  Fe  Fe79  1  0.362234  0.388702  0.327015  1
  Fe  Fe80  1  0.313944  0.543558  0.347168  1
  Fe  Fe81  1  0.267304  0.697767  0.366369  1
  Fe  Fe82  1  0.695567  0.055369  0.327015  1
  Fe  Fe83  1  0.647277  0.210224  0.347168  1
  Fe  Fe84  1  0.600637  0.364433  0.366369  1
  Fe  Fe85  1  0.980610  0.876891  0.347168  1
  Fe  Fe86  1  0.933970  0.031100  0.366369  1
  Fe  Fe87  1  0.362234  0.888702  0.327015  1
  Fe  Fe88  1  0.313944  0.043558  0.347168  1
  Fe  Fe89  1  0.267304  0.197767  0.366369  1
  Fe  Fe90  1  0.600637  0.864433  0.366369  1
  Fe  Fe91  1  0.790704  0.620661  0.356886  1
  Fe  Fe92  1  0.457371  0.453994  0.356886  1
  Fe  Fe93  1  0.410163  0.608546  0.376221  1
  Fe  Fe94  1  0.790704  0.120661  0.356886  1
  Fe  Fe95  1  0.743496  0.275213  0.376221  1
  Fe  Fe96  1  0.837910  0.466218  0.336972  1
  Fe  Fe97  1  0.124037  0.287328  0.356886  1
  Fe  Fe98  1  0.076829  0.441879  0.376221  1
  Fe  Fe99  1  0.171244  0.632885  0.336972  1
  Fe  Fe100  1  0.457371  0.953994  0.356886  1
  Fe  Fe101  1  0.410163  0.108546  0.376221  1
  Fe  Fe102  1  0.504577  0.299551  0.336972  1
  Fe  Fe103  1  0.743496  0.775213  0.376221  1
  Fe  Fe104  1  0.837910  0.966218  0.336972  1
  Fe  Fe105  1  0.124037  0.787328  0.356886  1
  Fe  Fe106  1  0.076829  0.941879  0.376221  1
  Fe  Fe107  1  0.171244  0.132885  0.336972  1
  Fe  Fe108  1  0.504577  0.799551  0.336972  1
  Fe  Fe109  1  0.980610  0.626891  0.347168  1
  Fe  Fe110  1  0.647277  0.460224  0.347168  1
  Fe  Fe111  1  0.600637  0.614433  0.366369  1
  Fe  Fe112  1  0.980610  0.126891  0.347168  1
  Fe  Fe113  1  0.933970  0.281100  0.366369  1
  Fe  Fe114  1  0.028901  0.472035  0.327015  1
  Fe  Fe115  1  0.313944  0.293558  0.347168  1
  Fe  Fe116  1  0.267304  0.447767  0.366369  1
  Fe  Fe117  1  0.362234  0.638702  0.327015  1
  Fe  Fe118  1  0.647277  0.960224  0.347168  1
  Fe  Fe119  1  0.600637  0.114433  0.366369  1
  Fe  Fe120  1  0.695567  0.305369  0.327015  1
  Fe  Fe121  1  0.933970  0.781100  0.366369  1
  Fe  Fe122  1  0.028901  0.972035  0.327015  1
  Fe  Fe123  1  0.313944  0.793558  0.347168  1
  Fe  Fe124  1  0.267304  0.947767  0.366369  1
  Fe  Fe125  1  0.362234  0.138702  0.327015  1
  Fe  Fe126  1  0.695567  0.805369  0.327015  1
  Fe  Fe127  1  0.837910  0.716218  0.336972  1
  Fe  Fe128  1  0.504577  0.549551  0.336972  1
  Fe  Fe129  1  0.457371  0.703994  0.356886  1
  Fe  Fe130  1  0.837910  0.216218  0.336972  1
  Fe  Fe131  1  0.790704  0.370661  0.356886  1
  Fe  Fe132  1  0.743496  0.525213  0.376221  1
  Fe  Fe133  1  0.171244  0.382885  0.336972  1
  Fe  Fe134  1  0.124037  0.537328  0.356886  1
  Fe  Fe135  1  0.076829  0.691879  0.376221  1
  Fe  Fe136  1  0.504577  0.049551  0.336972  1
  Fe  Fe137  1  0.457371  0.203994  0.356886  1
  Fe  Fe138  1  0.410163  0.358546  0.376221  1
  Fe  Fe139  1  0.790704  0.870661  0.356886  1
  Fe  Fe140  1  0.743496  0.025213  0.376221  1
  Fe  Fe141  1  0.171244  0.882885  0.336972  1
  Fe  Fe142  1  0.124037  0.037328  0.356886  1
  Fe  Fe143  1  0.076829  0.191879  0.376221  1
  Fe  Fe144  1  0.410163  0.858546  0.376221  1
  Fe  Fe145  1  0.886222  0.686020  0.386130  1
  Fe  Fe146  1  0.552889  0.519354  0.386130  1
  Fe  Fe147  1  0.505940  0.673670  0.405641  1
  Fe  Fe148  1  0.886222  0.186020  0.386130  1
  Fe  Fe149  1  0.839274  0.340337  0.405641  1
  Fe  Fe150  1  0.791769  0.495034  0.425252  1
  Fe  Fe151  1  0.219555  0.352687  0.386130  1
  Fe  Fe152  1  0.172607  0.507003  0.405641  1
  Fe  Fe153  1  0.125103  0.661701  0.425252  1
  Fe  Fe154  1  0.552889  0.019354  0.386130  1
  Fe  Fe155  1  0.505940  0.173670  0.405641  1
  Fe  Fe156  1  0.458436  0.328368  0.425252  1
  Fe  Fe157  1  0.839274  0.840337  0.405641  1
  Fe  Fe158  1  0.791769  0.995034  0.425252  1
  Fe  Fe159  1  0.219555  0.852687  0.386130  1
  Fe  Fe160  1  0.172607  0.007003  0.405641  1
  Fe  Fe161  1  0.125103  0.161701  0.425252  1
  Fe  Fe162  1  0.458436  0.828368  0.425252  1
  Fe  Fe163  1  0.648906  0.584341  0.415408  1
  Fe  Fe164  1  0.315573  0.417675  0.415408  1
  Fe  Fe165  1  0.268118  0.572309  0.435042  1
  Fe  Fe166  1  0.648906  0.084341  0.415408  1
  Fe  Fe167  1  0.601451  0.238976  0.435042  1
  Fe  Fe168  1  0.695988  0.429842  0.395935  1
  Fe  Fe169  1  0.982239  0.251008  0.415408  1
  Fe  Fe170  1  0.934785  0.405643  0.435042  1
  Fe  Fe171  1  0.029322  0.596509  0.395935  1
  Fe  Fe172  1  0.315573  0.917675  0.415408  1
  Fe  Fe173  1  0.268118  0.072309  0.435042  1
  Fe  Fe174  1  0.362655  0.263175  0.395935  1
  Fe  Fe175  1  0.601451  0.738976  0.435042  1
  Fe  Fe176  1  0.695988  0.929842  0.395935  1
  Fe  Fe177  1  0.982239  0.751008  0.415408  1
  Fe  Fe178  1  0.934785  0.905643  0.435042  1
  Fe  Fe179  1  0.029322  0.096509  0.395935  1
  Fe  Fe180  1  0.362655  0.763175  0.395935  1
  Fe  Fe181  1  0.839274  0.590337  0.405641  1
  Fe  Fe182  1  0.505940  0.423670  0.405641  1
  Fe  Fe183  1  0.458436  0.578368  0.425252  1
  Fe  Fe184  1  0.839274  0.090337  0.405641  1
  Fe  Fe185  1  0.791769  0.245034  0.425252  1
  Fe  Fe186  1  0.886222  0.436020  0.386130  1
  Fe  Fe187  1  0.172607  0.257003  0.405641  1
  Fe  Fe188  1  0.125103  0.411701  0.425252  1
  Fe  Fe189  1  0.219555  0.602687  0.386130  1
  Fe  Fe190  1  0.505940  0.923670  0.405641  1
  Fe  Fe191  1  0.458436  0.078368  0.425252  1
  Fe  Fe192  1  0.552889  0.269354  0.386130  1
  Fe  Fe193  1  0.791769  0.745034  0.425252  1
  Fe  Fe194  1  0.886222  0.936020  0.386130  1
  Fe  Fe195  1  0.172607  0.757003  0.405641  1
  Fe  Fe196  1  0.125103  0.911701  0.425252  1
  Fe  Fe197  1  0.219555  0.102687  0.386130  1
  Fe  Fe198  1  0.552889  0.769354  0.386130  1
  Fe  Fe199  1  0.695988  0.679842  0.395935  1
  Fe  Fe200  1  0.362655  0.513175  0.395935  1
  Fe  Fe201  1  0.315573  0.667675  0.415408  1
  Fe  Fe202  1  0.695988  0.179842  0.395935  1
  Fe  Fe203  1  0.648906  0.334341  0.415408  1
  Fe  Fe204  1  0.601451  0.488976  0.435042  1
  Fe  Fe205  1  0.029322  0.346509  0.395935  1
  Fe  Fe206  1  0.982239  0.501008  0.415408  1
  Fe  Fe207  1  0.934785  0.655643  0.435042  1
  Fe  Fe208  1  0.362655  0.013175  0.395935  1
  Fe  Fe209  1  0.315573  0.167675  0.415408  1
  Fe  Fe210  1  0.268118  0.322309  0.435042  1
  Fe  Fe211  1  0.648906  0.834341  0.415408  1
  Fe  Fe212  1  0.601451  0.988976  0.435042  1
  Fe  Fe213  1  0.029322  0.846509  0.395935  1
  Fe  Fe214  1  0.982239  1.001008  0.415408  1
  Fe  Fe215  1  0.934785  0.155643  0.435042  1
  Fe  Fe216  1  0.268118  0.822309  0.435042  1
  Fe  Fe217  1  0.744564  0.649529  0.444804  1
  Fe  Fe218  1  0.411231  0.482863  0.444804  1
  Fe  Fe219  1  0.363882  0.637469  0.464390  1
  Fe  Fe220  1  0.744564  0.149529  0.444804  1
  Fe  Fe221  1  0.697215  0.304136  0.464390  1
  Fe  Fe222  1  0.649948  0.458675  0.483955  1
  Fe  Fe223  1  0.077898  0.316196  0.444804  1
  Fe  Fe224  1  0.030549  0.470803  0.464390  1
  Fe  Fe225  1  0.983281  0.625342  0.483955  1
  Fe  Fe226  1  0.411231  0.982863  0.444804  1
  Fe  Fe227  1  0.363882  0.137469  0.464390  1
  Fe  Fe228  1  0.316614  0.292009  0.483955  1
  Fe  Fe229  1  0.697215  0.804136  0.464390  1
  Fe  Fe230  1  0.649948  0.958675  0.483955  1
  Fe  Fe231  1  0.077898  0.816196  0.444804  1
  Fe  Fe232  1  0.030549  0.970803  0.464390  1
  Fe  Fe233  1  0.983281  0.125342  0.483955  1
  Fe  Fe234  1  0.316614  0.792009  0.483955  1
  Fe  Fe235  1  0.506890  0.548084  0.474182  1
  Fe  Fe236  1  0.173556  0.381417  0.474182  1
  Fe  Fe237  1  0.126300  0.535956  0.493742  1
  Fe  Fe238  1  0.506890  0.048084  0.474182  1
  Fe  Fe239  1  0.459633  0.202623  0.493742  1
  Fe  Fe240  1  0.554264  0.393484  0.454585  1
  Fe  Fe241  1  0.840223  0.214751  0.474182  1
  Fe  Fe242  1  0.792966  0.369290  0.493742  1
  Fe  Fe243  1  0.887598  0.560150  0.454585  1
  Fe  Fe244  1  0.173556  0.881417  0.474182  1
  Fe  Fe245  1  0.126300  0.035956  0.493742  1
  Fe  Fe246  1  0.220931  0.226817  0.454585  1
  Fe  Fe247  1  0.459633  0.702623  0.493742  1
  Fe  Fe248  1  0.554264  0.893484  0.454585  1
  Fe  Fe249  1  0.840223  0.714751  0.474182  1
  Fe  Fe250  1  0.792966  0.869290  0.493742  1
  Fe  Fe251  1  0.887598  0.060150  0.454585  1
  Fe  Fe252  1  0.220931  0.726817  0.454585  1
  Fe  Fe253  1  0.697215  0.554136  0.464390  1
  Fe  Fe254  1  0.363882  0.387469  0.464390  1
  Fe  Fe255  1  0.316614  0.542009  0.483955  1
  Fe  Fe256  1  0.697215  0.054136  0.464390  1
  Fe  Fe257  1  0.649948  0.208675  0.483955  1
  Fe  Fe258  1  0.744564  0.399529  0.444804  1
  Fe  Fe259  1  0.030549  0.220803  0.464390  1
  Fe  Fe260  1  0.983281  0.375342  0.483955  1
  Fe  Fe261  1  0.077898  0.566196  0.444804  1
  Fe  Fe262  1  0.363882  0.887469  0.464390  1
  Fe  Fe263  1  0.316614  0.042009  0.483955  1
  Fe  Fe264  1  0.411231  0.232863  0.444804  1
  Fe  Fe265  1  0.649948  0.708675  0.483955  1
  Fe  Fe266  1  0.744564  0.899529  0.444804  1
  Fe  Fe267  1  0.030549  0.720803  0.464390  1
  Fe  Fe268  1  0.983281  0.875342  0.483955  1
  Fe  Fe269  1  0.077898  0.066196  0.444804  1
  Fe  Fe270  1  0.411231  0.732863  0.444804  1
  Fe  Fe271  1  0.554264  0.643484  0.454585  1
  Fe  Fe272  1  0.220931  0.476817  0.454585  1
  Fe  Fe273  1  0.173556  0.631417  0.474182  1
  Fe  Fe274  1  0.554264  0.143484  0.454585  1
  Fe  Fe275  1  0.506890  0.298084  0.474182  1
  Fe  Fe276  1  0.459633  0.452623  0.493742  1
  Fe  Fe277  1  0.887598  0.310150  0.454585  1
  Fe  Fe278  1  0.840223  0.464751  0.474182  1
  Fe  Fe279  1  0.792966  0.619290  0.493742  1
  Fe  Fe280  1  0.220931  0.976817  0.454585  1
  Fe  Fe281  1  0.173556  0.131417  0.474182  1
  Fe  Fe282  1  0.126300  0.285956  0.493742  1
  Fe  Fe283  1  0.506890  0.798084  0.474182  1
  Fe  Fe284  1  0.459633  0.952623  0.493742  1
  Fe  Fe285  1  0.887598  0.810150  0.454585  1
  Fe  Fe286  1  0.840223  0.964751  0.474182  1
  Fe  Fe287  1  0.792966  0.119290  0.493742  1
  Fe  Fe288  1  0.126300  0.785956  0.493742  1
  Fe  Fe289  1  0.602615  0.613262  0.503541  1
  Fe  Fe290  1  0.269282  0.446595  0.503541  1
  Fe  Fe291  1  0.222025  0.601134  0.523101  1
  Fe  Fe292  1  0.602615  0.113262  0.503541  1
  Fe  Fe293  1  0.555358  0.267801  0.523101  1
  Fe  Fe294  1  0.507984  0.422401  0.542698  1
  Fe  Fe295  1  0.935948  0.279928  0.503541  1
  Fe  Fe296  1  0.888691  0.434467  0.523101  1
  Fe  Fe297  1  0.841317  0.589067  0.542698  1
  Fe  Fe298  1  0.269282  0.946595  0.503541  1
  Fe  Fe299  1  0.222025  0.101134  0.523101  1
  Fe  Fe300  1  0.174650  0.255734  0.542698  1
  Fe  Fe301  1  0.555358  0.767801  0.523101  1
  Fe  Fe302  1  0.507984  0.922401  0.542698  1
  Fe  Fe303  1  0.935948  0.779928  0.503541  1
  Fe  Fe304  1  0.888691  0.934467  0.523101  1
  Fe  Fe305  1  0.841317  0.089067  0.542698  1
  Fe  Fe306  1  0.174650  0.755734  0.542698  1
  Fe  Fe307  1  0.365033  0.511749  0.532893  1
  Fe  Fe308  1  0.031699  0.345082  0.532893  1
  Fe  Fe309  1  0.984350  0.499689  0.552479  1
  Fe  Fe310  1  0.365033  0.011749  0.532893  1
  Fe  Fe311  1  0.317684  0.166355  0.552479  1
  Fe  Fe312  1  0.412300  0.357209  0.513328  1
  Fe  Fe313  1  0.698366  0.178415  0.532893  1
  Fe  Fe314  1  0.651017  0.333022  0.552479  1
  Fe  Fe315  1  0.745634  0.523876  0.513328  1
  Fe  Fe316  1  0.031699  0.845082  0.532893  1
  Fe  Fe317  1  0.984350  0.999689  0.552479  1
  Fe  Fe318  1  0.078967  0.190543  0.513328  1
  Fe  Fe319  1  0.317684  0.666355  0.552479  1
  Fe  Fe320  1  0.412300  0.857209  0.513328  1
  Fe  Fe321  1  0.698366  0.678415  0.532893  1
  Fe  Fe322  1  0.651017  0.833022  0.552479  1
  Fe  Fe323  1  0.745634  0.023876  0.513328  1
  Fe  Fe324  1  0.078967  0.690543  0.513328  1
  Fe  Fe325  1  0.555358  0.517801  0.523101  1
  Fe  Fe326  1  0.222025  0.351134  0.523101  1
  Fe  Fe327  1  0.174650  0.505734  0.542698  1
  Fe  Fe328  1  0.555358  0.017801  0.523101  1
  Fe  Fe329  1  0.507984  0.172401  0.542698  1
  Fe  Fe330  1  0.602615  0.363262  0.503541  1
  Fe  Fe331  1  0.888691  0.184467  0.523101  1
  Fe  Fe332  1  0.841317  0.339067  0.542698  1
  Fe  Fe333  1  0.935948  0.529928  0.503541  1
  Fe  Fe334  1  0.222025  0.851134  0.523101  1
  Fe  Fe335  1  0.174650  0.005734  0.542698  1
  Fe  Fe336  1  0.269282  0.196595  0.503541  1
  Fe  Fe337  1  0.507984  0.672401  0.542698  1
  Fe  Fe338  1  0.602615  0.863262  0.503541  1
  Fe  Fe339  1  0.888691  0.684467  0.523101  1
  Fe  Fe340  1  0.841317  0.839067  0.542698  1
  Fe  Fe341  1  0.935948  0.029928  0.503541  1
  Fe  Fe342  1  0.269282  0.696595  0.503541  1
  Fe  Fe343  1  0.412300  0.607209  0.513328  1
  Fe  Fe344  1  0.078967  0.440543  0.513328  1
  Fe  Fe345  1  0.031699  0.595082  0.532893  1
  Fe  Fe346  1  0.412300  0.107209  0.513328  1
  Fe  Fe347  1  0.365033  0.261749  0.532893  1
  Fe  Fe348  1  0.317684  0.416355  0.552479  1
  Fe  Fe349  1  0.745634  0.273876  0.513328  1
  Fe  Fe350  1  0.698366  0.428415  0.532893  1
  Fe  Fe351  1  0.651017  0.583022  0.552479  1
  Fe  Fe352  1  0.078967  0.940543  0.513328  1
  Fe  Fe353  1  0.031699  0.095082  0.532893  1
  Fe  Fe354  1  0.984350  0.249689  0.552479  1
  Fe  Fe355  1  0.365033  0.761749  0.532893  1
  Fe  Fe356  1  0.317684  0.916355  0.552479  1
  Fe  Fe357  1  0.745634  0.773876  0.513328  1
  Fe  Fe358  1  0.698366  0.928415  0.532893  1
  Fe  Fe359  1  0.651017  0.083022  0.552479  1
  Fe  Fe360  1  0.984350  0.749689  0.552479  1
  Fe  Fe361  1  0.460797  0.576909  0.562241  1
  Fe  Fe362  1  0.127463  0.410242  0.562241  1
  Fe  Fe363  1  0.080009  0.564877  0.581876  1
  Fe  Fe364  1  0.460797  0.076909  0.562241  1
  Fe  Fe365  1  0.413342  0.231543  0.581876  1
  Fe  Fe366  1  0.366260  0.386043  0.601348  1
  Fe  Fe367  1  0.794130  0.243575  0.562241  1
  Fe  Fe368  1  0.746675  0.398210  0.581876  1
  Fe  Fe369  1  0.699593  0.552709  0.601348  1
  Fe  Fe370  1  0.127463  0.910242  0.562241  1
  Fe  Fe371  1  0.080009  0.064877  0.581876  1
  Fe  Fe372  1  0.032926  0.219376  0.601348  1
  Fe  Fe373  1  0.413342  0.731543  0.581876  1
  Fe  Fe374  1  0.366260  0.886043  0.601348  1
  Fe  Fe375  1  0.794130  0.743575  0.562241  1
  Fe  Fe376  1  0.746675  0.898210  0.581876  1
  Fe  Fe377  1  0.699593  0.052709  0.601348  1
  Fe  Fe378  1  0.032926  0.719376  0.601348  1
  Fe  Fe379  1  0.222974  0.475548  0.591643  1
  Fe  Fe380  1  0.889641  0.308881  0.591643  1
  Fe  Fe381  1  0.842693  0.463198  0.611153  1
  Fe  Fe382  1  0.222974  0.975548  0.591643  1
  Fe  Fe383  1  0.176026  0.129864  0.611153  1
  Fe  Fe384  1  0.270478  0.320850  0.572032  1
  Fe  Fe385  1  0.556308  0.142215  0.591643  1
  Fe  Fe386  1  0.509359  0.296531  0.611153  1
  Fe  Fe387  1  0.603812  0.487517  0.572032  1
  Fe  Fe388  1  0.889641  0.808881  0.591643  1
  Fe  Fe389  1  0.842693  0.963198  0.611153  1
  Fe  Fe390  1  0.937145  0.154184  0.572032  1
  Fe  Fe391  1  0.176026  0.629864  0.611153  1
  Fe  Fe392  1  0.270478  0.820850  0.572032  1
  Fe  Fe393  1  0.556308  0.642215  0.591643  1
  Fe  Fe394  1  0.509359  0.796531  0.611153  1
  Fe  Fe395  1  0.603812  0.987517  0.572032  1
  Fe  Fe396  1  0.937145  0.654184  0.572032  1
  Fe  Fe397  1  0.413342  0.481543  0.581876  1
  Fe  Fe398  1  0.080009  0.314877  0.581876  1
  Fe  Fe399  1  0.032926  0.469376  0.601348  1
  Fe  Fe400  1  0.413342  0.981543  0.581876  1
  Fe  Fe401  1  0.366260  0.136043  0.601348  1
  Fe  Fe402  1  0.460797  0.326909  0.562241  1
  Fe  Fe403  1  0.746675  0.148210  0.581876  1
  Fe  Fe404  1  0.699593  0.302709  0.601348  1
  Fe  Fe405  1  0.794130  0.493575  0.562241  1
  Fe  Fe406  1  0.080009  0.814877  0.581876  1
  Fe  Fe407  1  0.032926  0.969376  0.601348  1
  Fe  Fe408  1  0.127463  0.160242  0.562241  1
  Fe  Fe409  1  0.366260  0.636043  0.601348  1
  Fe  Fe410  1  0.460797  0.826909  0.562241  1
  Fe  Fe411  1  0.746675  0.648210  0.581876  1
  Fe  Fe412  1  0.699593  0.802709  0.601348  1
  Fe  Fe413  1  0.794130  0.993575  0.562241  1
  Fe  Fe414  1  0.127463  0.660242  0.562241  1
  Fe  Fe415  1  0.270478  0.570850  0.572032  1
  Fe  Fe416  1  0.937145  0.404184  0.572032  1
  Fe  Fe417  1  0.889641  0.558881  0.591643  1
  Fe  Fe418  1  0.270478  0.070850  0.572032  1
  Fe  Fe419  1  0.222974  0.225548  0.591643  1
  Fe  Fe420  1  0.176026  0.379864  0.611153  1
  Fe  Fe421  1  0.603812  0.237517  0.572032  1
  Fe  Fe422  1  0.556308  0.392215  0.591643  1
  Fe  Fe423  1  0.509359  0.546531  0.611153  1
  Fe  Fe424  1  0.937145  0.904184  0.572032  1
  Fe  Fe425  1  0.889641  0.058881  0.591643  1
  Fe  Fe426  1  0.842693  0.213198  0.611153  1
  Fe  Fe427  1  0.222974  0.725548  0.591643  1
  Fe  Fe428  1  0.176026  0.879864  0.611153  1
  Fe  Fe429  1  0.603812  0.737517  0.572032  1
  Fe  Fe430  1  0.556308  0.892215  0.591643  1
  Fe  Fe431  1  0.509359  0.046531  0.611153  1
  Fe  Fe432  1  0.842693  0.713198  0.611153  1
  Fe  Fe433  1  0.318752  0.540672  0.621062  1
  Fe  Fe434  1  0.985418  0.374005  0.621062  1
  Fe  Fe435  1  0.938211  0.528557  0.640398  1
  Fe  Fe436  1  0.318752  0.040672  0.621062  1
  Fe  Fe437  1  0.271544  0.195224  0.640398  1
  Fe  Fe438  1  0.224337  0.349667  0.660311  1
  Fe  Fe439  1  0.652085  0.207339  0.621062  1
  Fe  Fe440  1  0.604877  0.361890  0.640398  1
  Fe  Fe441  1  0.557671  0.516333  0.660311  1
  Fe  Fe442  1  0.985418  0.874005  0.621062  1
  Fe  Fe443  1  0.938211  0.028557  0.640398  1
  Fe  Fe444  1  0.891004  0.183000  0.660311  1
  Fe  Fe445  1  0.271544  0.695224  0.640398  1
  Fe  Fe446  1  0.224337  0.849667  0.660311  1
  Fe  Fe447  1  0.652085  0.707339  0.621062  1
  Fe  Fe448  1  0.604877  0.861890  0.640398  1
  Fe  Fe449  1  0.557671  0.016333  0.660311  1
  Fe  Fe450  1  0.891004  0.683000  0.660311  1
  Fe  Fe451  1  0.081638  0.438994  0.650116  1
  Fe  Fe452  1  0.748304  0.272327  0.650116  1
  Fe  Fe453  1  0.700014  0.427183  0.670269  1
  Fe  Fe454  1  0.081638  0.938994  0.650116  1
  Fe  Fe455  1  0.033347  0.093849  0.670269  1
  Fe  Fe456  1  0.128278  0.284785  0.630914  1
  Fe  Fe457  1  0.414971  0.105660  0.650116  1
  Fe  Fe458  1  0.366681  0.260516  0.670269  1
  Fe  Fe459  1  0.461611  0.451451  0.630914  1
  Fe  Fe460  1  0.748304  0.772327  0.650116  1
  Fe  Fe461  1  0.700014  0.927183  0.670269  1
  Fe  Fe462  1  0.794944  0.118118  0.630914  1
  Fe  Fe463  1  0.033347  0.593849  0.670269  1
  Fe  Fe464  1  0.128278  0.784785  0.630914  1
  Fe  Fe465  1  0.414971  0.605660  0.650116  1
  Fe  Fe466  1  0.366681  0.760516  0.670269  1
  Fe  Fe467  1  0.461611  0.951451  0.630914  1
  Fe  Fe468  1  0.794944  0.618118  0.630914  1
  Fe  Fe469  1  0.271544  0.445224  0.640398  1
  Fe  Fe470  1  0.938211  0.278557  0.640398  1
  Fe  Fe471  1  0.891004  0.433000  0.660311  1
  Fe  Fe472  1  0.271544  0.945224  0.640398  1
  Fe  Fe473  1  0.224337  0.099667  0.660311  1
  Fe  Fe474  1  0.318752  0.290672  0.621062  1
  Fe  Fe475  1  0.604877  0.111890  0.640398  1
  Fe  Fe476  1  0.557671  0.266333  0.660311  1
  Fe  Fe477  1  0.652085  0.457339  0.621062  1
  Fe  Fe478  1  0.938211  0.778557  0.640398  1
  Fe  Fe479  1  0.891004  0.933000  0.660311  1
  Fe  Fe480  1  0.985418  0.124005  0.621062  1
  Fe  Fe481  1  0.224337  0.599667  0.660311  1
  Fe  Fe482  1  0.318752  0.790672  0.621062  1
  Fe  Fe483  1  0.604877  0.611890  0.640398  1
  Fe  Fe484  1  0.557671  0.766333  0.660311  1
  Fe  Fe485  1  0.652085  0.957339  0.621062  1
  Fe  Fe486  1  0.985418  0.624005  0.621062  1
  Fe  Fe487  1  0.128278  0.534785  0.630914  1
  Fe  Fe488  1  0.794944  0.368118  0.630914  1
  Fe  Fe489  1  0.748304  0.522327  0.650116  1
  Fe  Fe490  1  0.128278  0.034785  0.630914  1
  Fe  Fe491  1  0.081638  0.188994  0.650116  1
  Fe  Fe492  1  0.033347  0.343849  0.670269  1
  Fe  Fe493  1  0.461611  0.201451  0.630914  1
  Fe  Fe494  1  0.414971  0.355660  0.650116  1
  Fe  Fe495  1  0.366681  0.510516  0.670269  1
  Fe  Fe496  1  0.794944  0.868118  0.630914  1
  Fe  Fe497  1  0.748304  0.022327  0.650116  1
  Fe  Fe498  1  0.700014  0.177183  0.670269  1
  Fe  Fe499  1  0.081638  0.688994  0.650116  1
  Fe  Fe500  1  0.033347  0.843849  0.670269  1
  Fe  Fe501  1  0.461611  0.701451  0.630914  1
  Fe  Fe502  1  0.414971  0.855660  0.650116  1
  Fe  Fe503  1  0.366681  0.010516  0.670269  1
  Fe  Fe504  1  0.700014  0.677183  0.670269  1
  Fe  Fe505  1  0.178205  0.504472  0.679776  1
  Fe  Fe506  1  0.844872  0.337805  0.679776  1
  Fe  Fe507  1  0.792843  0.492383  0.699052  1
  Fe  Fe508  1  0.178205  0.004472  0.679776  1
  Fe  Fe509  1  0.126176  0.159050  0.699052  1
  Fe  Fe510  1  0.080580  0.310464  0.719921  1
  Fe  Fe511  1  0.511539  0.171139  0.679776  1
  Fe  Fe512  1  0.459510  0.325717  0.699052  1
  Fe  Fe513  1  0.413913  0.477131  0.719921  1
  Fe  Fe514  1  0.844872  0.837805  0.679776  1
  Fe  Fe515  1  0.792843  0.992383  0.699052  1
  Fe  Fe516  1  0.747246  0.143798  0.719921  1
  Fe  Fe517  1  0.126176  0.659050  0.699052  1
  Fe  Fe518  1  0.080580  0.810464  0.719921  1
  Fe  Fe519  1  0.511539  0.671139  0.679776  1
  Fe  Fe520  1  0.459510  0.825717  0.699052  1
  Fe  Fe521  1  0.413913  0.977131  0.719921  1
  Fe  Fe522  1  0.747246  0.643798  0.719921  1
  Fe  Fe523  1  0.936798  0.404513  0.710860  1
  Fe  Fe524  1  0.603465  0.237847  0.710860  1
  Fe  Fe525  1  0.557699  0.384165  0.729691  1
  Fe  Fe526  1  0.936798  0.904513  0.710860  1
  Fe  Fe527  1  0.891032  0.050831  0.729691  1
  Fe  Fe528  1  0.986816  0.247997  0.688900  1
  Fe  Fe529  1  0.270131  0.071180  0.710860  1
  Fe  Fe530  1  0.224366  0.217498  0.729691  1
  Fe  Fe531  1  0.320149  0.414663  0.688900  1
  Fe  Fe532  1  0.603465  0.737847  0.710860  1
  Fe  Fe533  1  0.557699  0.884165  0.729691  1
  Fe  Fe534  1  0.653482  0.081330  0.688900  1
  Fe  Fe535  1  0.891032  0.550831  0.729691  1
  Fe  Fe536  1  0.986816  0.747997  0.688900  1
  Fe  Fe537  1  0.270131  0.571180  0.710860  1
  Fe  Fe538  1  0.224366  0.717498  0.729691  1
  Fe  Fe539  1  0.320149  0.914663  0.688900  1
  Fe  Fe540  1  0.653482  0.581330  0.688900  1
  Fe  Fe541  1  0.126176  0.409050  0.699052  1
  Fe  Fe542  1  0.792843  0.242383  0.699052  1
  Fe  Fe543  1  0.747246  0.393798  0.719921  1
  Fe  Fe544  1  0.126176  0.909050  0.699052  1
  Fe  Fe545  1  0.080580  0.060464  0.719921  1
  Fe  Fe546  1  0.178205  0.254472  0.679776  1
  Fe  Fe547  1  0.459510  0.075717  0.699052  1
  Fe  Fe548  1  0.413913  0.227131  0.719921  1
  Fe  Fe549  1  0.511539  0.421139  0.679776  1
  Fe  Fe550  1  0.792843  0.742383  0.699052  1
  Fe  Fe551  1  0.747246  0.893798  0.719921  1
  Fe  Fe552  1  0.844872  0.087805  0.679776  1
  Fe  Fe553  1  0.080580  0.560464  0.719921  1
  Fe  Fe554  1  0.178205  0.754472  0.679776  1
  Fe  Fe555  1  0.459510  0.575717  0.699052  1
  Fe  Fe556  1  0.413913  0.727131  0.719921  1
  Fe  Fe557  1  0.511539  0.921139  0.679776  1
  Fe  Fe558  1  0.844872  0.587805  0.679776  1
  Fe  Fe559  1  0.986816  0.497997  0.688900  1
  Fe  Fe560  1  0.653482  0.331330  0.688900  1
  Fe  Fe561  1  0.603465  0.487847  0.710860  1
  Fe  Fe562  1  0.986816  0.997997  0.688900  1
  Fe  Fe563  1  0.936798  0.154513  0.710860  1
  Fe  Fe564  1  0.891032  0.300831  0.729691  1
  Fe  Fe565  1  0.320149  0.164663  0.688900  1
  Fe  Fe566  1  0.270131  0.321180  0.710860  1
  Fe  Fe567  1  0.224366  0.467498  0.729691  1
  Fe  Fe568  1  0.653482  0.831330  0.688900  1
  Fe  Fe569  1  0.603465  0.987847  0.710860  1
  Fe  Fe570  1  0.557699  0.134165  0.729691  1
  Fe  Fe571  1  0.936798  0.654513  0.710860  1
  Fe  Fe572  1  0.891032  0.800831  0.729691  1
  Fe  Fe573  1  0.320149  0.664663  0.688900  1
  Fe  Fe574  1  0.270131  0.821180  0.710860  1
  Fe  Fe575  1  0.224366  0.967498  0.729691  1
  Fe  Fe576  1  0.557699  0.634165  0.729691  1
