# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.78044276
_cell_length_b   13.49393281
_cell_length_c   47.05385023
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.80586121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe432
_cell_volume   11507.6419474
_cell_formula_units_Z   432
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  0.114344  0.403752  0.320795  1
  Fe  Fe2  1  0.614344  0.403752  0.320795  1
  Fe  Fe3  1  0.843441  0.421679  0.299340  1
  Fe  Fe4  1  0.947677  0.070419  0.320795  1
  Fe  Fe5  1  0.977642  0.410833  0.309618  1
  Fe  Fe6  1  0.176775  0.088346  0.299340  1
  Fe  Fe7  1  0.343441  0.421679  0.299340  1
  Fe  Fe8  1  0.447677  0.070419  0.320795  1
  Fe  Fe9  1  0.477642  0.410833  0.309618  1
  Fe  Fe10  1  0.676775  0.088346  0.299340  1
  Fe  Fe11  1  0.781011  0.737085  0.320795  1
  Fe  Fe12  1  0.810975  0.077500  0.309618  1
  Fe  Fe13  1  0.010108  0.755012  0.299340  1
  Fe  Fe14  1  0.144309  0.744166  0.309618  1
  Fe  Fe15  1  0.281011  0.737085  0.320795  1
  Fe  Fe16  1  0.310975  0.077500  0.309618  1
  Fe  Fe17  1  0.510108  0.755012  0.299340  1
  Fe  Fe18  1  0.644309  0.744166  0.309618  1
  Fe  Fe19  1  0.244752  0.582331  0.303885  1
  Fe  Fe20  1  0.744752  0.582331  0.303885  1
  Fe  Fe21  1  0.880227  0.574826  0.314904  1
  Fe  Fe22  1  0.078086  0.248997  0.303885  1
  Fe  Fe23  1  0.017199  0.569539  0.325850  1
  Fe  Fe24  1  0.213560  0.241493  0.314904  1
  Fe  Fe25  1  0.380227  0.574826  0.314904  1
  Fe  Fe26  1  0.578086  0.248997  0.303885  1
  Fe  Fe27  1  0.517199  0.569539  0.325850  1
  Fe  Fe28  1  0.713560  0.241493  0.314904  1
  Fe  Fe29  1  0.911419  0.915664  0.303885  1
  Fe  Fe30  1  0.850532  0.236205  0.325850  1
  Fe  Fe31  1  0.046894  0.908160  0.314904  1
  Fe  Fe32  1  0.183865  0.902872  0.325850  1
  Fe  Fe33  1  0.411419  0.915664  0.303885  1
  Fe  Fe34  1  0.350532  0.236205  0.325850  1
  Fe  Fe35  1  0.546894  0.908160  0.314904  1
  Fe  Fe36  1  0.683865  0.902872  0.325850  1
  Fe  Fe37  1  0.030616  0.369920  0.356795  1
  Fe  Fe38  1  0.530616  0.369920  0.356795  1
  Fe  Fe39  1  0.751152  0.396862  0.332621  1
  Fe  Fe40  1  0.863950  0.036587  0.356795  1
  Fe  Fe41  1  0.891361  0.384245  0.346315  1
  Fe  Fe42  1  0.084486  0.063529  0.332621  1
  Fe  Fe43  1  0.251152  0.396862  0.332621  1
  Fe  Fe44  1  0.363950  0.036587  0.356795  1
  Fe  Fe45  1  0.391361  0.384245  0.346315  1
  Fe  Fe46  1  0.584486  0.063529  0.332621  1
  Fe  Fe47  1  0.697283  0.703254  0.356795  1
  Fe  Fe48  1  0.724694  0.050912  0.346315  1
  Fe  Fe49  1  0.917819  0.730195  0.332621  1
  Fe  Fe50  1  0.058027  0.717578  0.346315  1
  Fe  Fe51  1  0.197283  0.703254  0.356795  1
  Fe  Fe52  1  0.224694  0.050912  0.346315  1
  Fe  Fe53  1  0.417819  0.730195  0.332621  1
  Fe  Fe54  1  0.558027  0.717578  0.346315  1
  Fe  Fe55  1  0.153550  0.557770  0.338408  1
  Fe  Fe56  1  0.653550  0.557770  0.338408  1
  Fe  Fe57  1  0.794561  0.543014  0.350908  1
  Fe  Fe58  1  0.986884  0.224436  0.338408  1
  Fe  Fe59  1  0.933973  0.531706  0.362417  1
  Fe  Fe60  1  0.127894  0.209681  0.350908  1
  Fe  Fe61  1  0.294561  0.543014  0.350908  1
  Fe  Fe62  1  0.486884  0.224436  0.338408  1
  Fe  Fe63  1  0.433973  0.531706  0.362417  1
  Fe  Fe64  1  0.627894  0.209681  0.350908  1
  Fe  Fe65  1  0.820217  0.891103  0.338408  1
  Fe  Fe66  1  0.767307  0.198372  0.362417  1
  Fe  Fe67  1  0.961227  0.876348  0.350908  1
  Fe  Fe68  1  0.100640  0.865039  0.362417  1
  Fe  Fe69  1  0.320217  0.891103  0.338408  1
  Fe  Fe70  1  0.267307  0.198372  0.362417  1
  Fe  Fe71  1  0.461227  0.876348  0.350908  1
  Fe  Fe72  1  0.600640  0.865039  0.362417  1
  Fe  Fe73  1  0.946382  0.333745  0.392898  1
  Fe  Fe74  1  0.446382  0.333745  0.392898  1
  Fe  Fe75  1  0.668663  0.358307  0.368505  1
  Fe  Fe76  1  0.779715  1.000412  0.392898  1
  Fe  Fe77  1  0.806609  0.346507  0.380639  1
  Fe  Fe78  1  0.001996  0.024974  0.368505  1
  Fe  Fe79  1  0.168663  0.358307  0.368505  1
  Fe  Fe80  1  0.279715  1.000412  0.392898  1
  Fe  Fe81  1  0.306609  0.346507  0.380639  1
  Fe  Fe82  1  0.501996  0.024974  0.368505  1
  Fe  Fe83  1  0.613049  0.667078  0.392898  1
  Fe  Fe84  1  0.639942  0.013173  0.380639  1
  Fe  Fe85  1  0.835329  0.691641  0.368505  1
  Fe  Fe86  1  0.973275  0.679840  0.380639  1
  Fe  Fe87  1  0.113049  0.667078  0.392898  1
  Fe  Fe88  1  0.139942  0.013173  0.380639  1
  Fe  Fe89  1  0.335329  0.691641  0.368505  1
  Fe  Fe90  1  0.473275  0.679840  0.380639  1
  Fe  Fe91  1  0.071053  0.519352  0.374247  1
  Fe  Fe92  1  0.571053  0.519352  0.374247  1
  Fe  Fe93  1  0.709567  0.507072  0.386284  1
  Fe  Fe94  1  0.904387  0.186018  0.374247  1
  Fe  Fe95  1  0.849000  0.494757  0.398496  1
  Fe  Fe96  1  0.042900  0.173739  0.386284  1
  Fe  Fe97  1  0.209567  0.507072  0.386284  1
  Fe  Fe98  1  0.404387  0.186018  0.374247  1
  Fe  Fe99  1  0.349000  0.494757  0.398496  1
  Fe  Fe100  1  0.542900  0.173739  0.386284  1
  Fe  Fe101  1  0.737720  0.852685  0.374247  1
  Fe  Fe102  1  0.682333  0.161424  0.398496  1
  Fe  Fe103  1  0.876234  0.840405  0.386284  1
  Fe  Fe104  1  0.015666  0.828090  0.398496  1
  Fe  Fe105  1  0.237720  0.852685  0.374247  1
  Fe  Fe106  1  0.182333  0.161424  0.398496  1
  Fe  Fe107  1  0.376234  0.840405  0.386284  1
  Fe  Fe108  1  0.515666  0.828090  0.398496  1
  Fe  Fe109  1  0.861609  0.297638  0.428330  1
  Fe  Fe110  1  0.361609  0.297638  0.428330  1
  Fe  Fe111  1  0.584680  0.321745  0.404490  1
  Fe  Fe112  1  0.694942  0.964304  0.428330  1
  Fe  Fe113  1  0.722985  0.309831  0.416394  1
  Fe  Fe114  1  0.918013  0.988412  0.404490  1
  Fe  Fe115  1  0.084680  0.321745  0.404490  1
  Fe  Fe116  1  0.194942  0.964304  0.428330  1
  Fe  Fe117  1  0.222985  0.309831  0.416394  1
  Fe  Fe118  1  0.418013  0.988412  0.404490  1
  Fe  Fe119  1  0.528275  0.630971  0.428330  1
  Fe  Fe120  1  0.556319  0.976497  0.416394  1
  Fe  Fe121  1  0.751347  0.655078  0.404490  1
  Fe  Fe122  1  0.889652  0.643164  0.416394  1
  Fe  Fe123  1  0.028275  0.630971  0.428330  1
  Fe  Fe124  1  0.056319  0.976497  0.416394  1
  Fe  Fe125  1  0.251347  0.655078  0.404490  1
  Fe  Fe126  1  0.389652  0.643164  0.416394  1
  Fe  Fe127  1  0.987331  0.482651  0.410352  1
  Fe  Fe128  1  0.487331  0.482651  0.410352  1
  Fe  Fe129  1  0.625675  0.470515  0.422211  1
  Fe  Fe130  1  0.820664  0.149318  0.410352  1
  Fe  Fe131  1  0.764333  0.458277  0.434157  1
  Fe  Fe132  1  0.959008  0.137182  0.422211  1
  Fe  Fe133  1  0.125675  0.470515  0.422211  1
  Fe  Fe134  1  0.320664  0.149318  0.410352  1
  Fe  Fe135  1  0.264333  0.458277  0.434157  1
  Fe  Fe136  1  0.459008  0.137182  0.422211  1
  Fe  Fe137  1  0.653998  0.815984  0.410352  1
  Fe  Fe138  1  0.597666  0.124943  0.434157  1
  Fe  Fe139  1  0.792342  0.803848  0.422211  1
  Fe  Fe140  1  0.930999  0.791610  0.434157  1
  Fe  Fe141  1  0.153998  0.815984  0.410352  1
  Fe  Fe142  1  0.097666  0.124943  0.434157  1
  Fe  Fe143  1  0.292342  0.803848  0.422211  1
  Fe  Fe144  1  0.430999  0.791610  0.434157  1
  Fe  Fe145  1  0.777527  0.261031  0.464123  1
  Fe  Fe146  1  0.277527  0.261031  0.464123  1
  Fe  Fe147  1  0.500510  0.285249  0.440370  1
  Fe  Fe148  1  0.610860  0.927698  0.464123  1
  Fe  Fe149  1  0.638991  0.273133  0.452220  1
  Fe  Fe150  1  0.833844  0.951916  0.440370  1
  Fe  Fe151  1  0.000510  0.285249  0.440370  1
  Fe  Fe152  1  0.110860  0.927698  0.464123  1
  Fe  Fe153  1  0.138991  0.273133  0.452220  1
  Fe  Fe154  1  0.333844  0.951916  0.440370  1
  Fe  Fe155  1  0.444194  0.594365  0.464123  1
  Fe  Fe156  1  0.472324  0.939800  0.452220  1
  Fe  Fe157  1  0.667177  0.618582  0.440370  1
  Fe  Fe158  1  0.805657  0.606466  0.452220  1
  Fe  Fe159  1  0.944194  0.594365  0.464123  1
  Fe  Fe160  1  0.972324  0.939800  0.452220  1
  Fe  Fe161  1  0.167177  0.618582  0.440370  1
  Fe  Fe162  1  0.305657  0.606466  0.452220  1
  Fe  Fe163  1  0.903112  0.445937  0.446222  1
  Fe  Fe164  1  0.403112  0.445937  0.446222  1
  Fe  Fe165  1  0.541660  0.433834  0.458119  1
  Fe  Fe166  1  0.736445  0.112604  0.446222  1
  Fe  Fe167  1  0.680187  0.421689  0.470019  1
  Fe  Fe168  1  0.874993  0.100501  0.458119  1
  Fe  Fe169  1  0.041660  0.433834  0.458119  1
  Fe  Fe170  1  0.236445  0.112604  0.446222  1
  Fe  Fe171  1  0.180187  0.421689  0.470019  1
  Fe  Fe172  1  0.374993  0.100501  0.458119  1
  Fe  Fe173  1  0.569778  0.779271  0.446222  1
  Fe  Fe174  1  0.513520  0.088356  0.470019  1
  Fe  Fe175  1  0.708326  0.767168  0.458119  1
  Fe  Fe176  1  0.846853  0.755023  0.470019  1
  Fe  Fe177  1  0.069778  0.779271  0.446222  1
  Fe  Fe178  1  0.013520  0.088356  0.470019  1
  Fe  Fe179  1  0.208326  0.767168  0.458119  1
  Fe  Fe180  1  0.346853  0.755023  0.470019  1
  Fe  Fe181  1  0.693406  0.224412  0.499949  1
  Fe  Fe182  1  0.193406  0.224412  0.499949  1
  Fe  Fe183  1  0.416116  0.248857  0.476058  1
  Fe  Fe184  1  0.526739  0.891079  0.499949  1
  Fe  Fe185  1  0.554826  0.236596  0.488037  1
  Fe  Fe186  1  0.749450  0.915524  0.476058  1
  Fe  Fe187  1  0.916116  0.248857  0.476058  1
  Fe  Fe188  1  0.026739  0.891079  0.499949  1
  Fe  Fe189  1  0.054826  0.236596  0.488037  1
  Fe  Fe190  1  0.249450  0.915524  0.476058  1
  Fe  Fe191  1  0.360073  0.557746  0.499949  1
  Fe  Fe192  1  0.388159  0.903263  0.488037  1
  Fe  Fe193  1  0.582783  0.582190  0.476058  1
  Fe  Fe194  1  0.721493  0.569929  0.488037  1
  Fe  Fe195  1  0.860073  0.557746  0.499949  1
  Fe  Fe196  1  0.888159  0.903263  0.488037  1
  Fe  Fe197  1  0.082783  0.582190  0.476058  1
  Fe  Fe198  1  0.221493  0.569929  0.488037  1
  Fe  Fe199  1  0.818765  0.409469  0.481961  1
  Fe  Fe200  1  0.318765  0.409469  0.481961  1
  Fe  Fe201  1  0.457470  0.397215  0.493946  1
  Fe  Fe202  1  0.652098  0.076135  0.481961  1
  Fe  Fe203  1  0.596056  0.385060  0.505867  1
  Fe  Fe204  1  0.790803  0.063882  0.493946  1
  Fe  Fe205  1  0.957470  0.397215  0.493946  1
  Fe  Fe206  1  0.152098  0.076135  0.481961  1
  Fe  Fe207  1  0.096056  0.385060  0.505867  1
  Fe  Fe208  1  0.290803  0.063882  0.493946  1
  Fe  Fe209  1  0.485431  0.742802  0.481961  1
  Fe  Fe210  1  0.429389  0.051727  0.505867  1
  Fe  Fe211  1  0.624136  0.730548  0.493946  1
  Fe  Fe212  1  0.762723  0.718394  0.505867  1
  Fe  Fe213  1  0.985431  0.742802  0.481961  1
  Fe  Fe214  1  0.929389  0.051727  0.505867  1
  Fe  Fe215  1  0.124136  0.730548  0.493946  1
  Fe  Fe216  1  0.262723  0.718394  0.505867  1
  Fe  Fe217  1  0.609240  0.187856  0.535771  1
  Fe  Fe218  1  0.109240  0.187856  0.535771  1
  Fe  Fe219  1  0.331949  0.212264  0.511866  1
  Fe  Fe220  1  0.442574  0.854522  0.535771  1
  Fe  Fe221  1  0.470535  0.200109  0.523787  1
  Fe  Fe222  1  0.665282  0.878931  0.511866  1
  Fe  Fe223  1  0.831949  0.212264  0.511866  1
  Fe  Fe224  1  0.942574  0.854522  0.535771  1
  Fe  Fe225  1  0.970535  0.200109  0.523787  1
  Fe  Fe226  1  0.165282  0.878931  0.511866  1
  Fe  Fe227  1  0.275907  0.521189  0.535771  1
  Fe  Fe228  1  0.303869  0.866776  0.523787  1
  Fe  Fe229  1  0.498616  0.545597  0.511866  1
  Fe  Fe230  1  0.637202  0.533442  0.523787  1
  Fe  Fe231  1  0.775907  0.521189  0.535771  1
  Fe  Fe232  1  0.803869  0.866776  0.523787  1
  Fe  Fe233  1  -0.001384  0.545597  0.511866  1
  Fe  Fe234  1  0.137202  0.533442  0.523787  1
  Fe  Fe235  1  0.734599  0.372912  0.517783  1
  Fe  Fe236  1  0.234599  0.372912  0.517783  1
  Fe  Fe237  1  0.373179  0.360728  0.529695  1
  Fe  Fe238  1  0.567932  0.039579  0.517783  1
  Fe  Fe239  1  0.511888  0.348467  0.541674  1
  Fe  Fe240  1  0.706512  0.027395  0.529695  1
  Fe  Fe241  1  0.873179  0.360728  0.529695  1
  Fe  Fe242  1  0.067932  0.039579  0.517783  1
  Fe  Fe243  1  0.011888  0.348467  0.541674  1
  Fe  Fe244  1  0.206512  0.027395  0.529695  1
  Fe  Fe245  1  0.401266  0.706245  0.517783  1
  Fe  Fe246  1  0.345222  0.015134  0.541674  1
  Fe  Fe247  1  0.539845  0.694061  0.529695  1
  Fe  Fe248  1  0.678555  0.681801  0.541674  1
  Fe  Fe249  1  0.901266  0.706245  0.517783  1
  Fe  Fe250  1  0.845222  0.015134  0.541674  1
  Fe  Fe251  1  0.039845  0.694061  0.529695  1
  Fe  Fe252  1  0.178555  0.681801  0.541674  1
  Fe  Fe253  1  0.524893  0.151387  0.571510  1
  Fe  Fe254  1  0.024893  0.151387  0.571510  1
  Fe  Fe255  1  0.247818  0.175635  0.547714  1
  Fe  Fe256  1  0.358227  0.818053  0.571510  1
  Fe  Fe257  1  0.386345  0.163490  0.559613  1
  Fe  Fe258  1  0.581152  0.842302  0.547714  1
  Fe  Fe259  1  0.747818  0.175635  0.547714  1
  Fe  Fe260  1  0.858227  0.818053  0.571510  1
  Fe  Fe261  1  0.886345  0.163490  0.559613  1
  Fe  Fe262  1  0.081152  0.842302  0.547714  1
  Fe  Fe263  1  0.191560  0.484720  0.571510  1
  Fe  Fe264  1  0.219679  0.830157  0.559613  1
  Fe  Fe265  1  0.414485  0.508968  0.547714  1
  Fe  Fe266  1  0.553012  0.496823  0.559613  1
  Fe  Fe267  1  0.691560  0.484720  0.571510  1
  Fe  Fe268  1  0.719679  0.830157  0.559613  1
  Fe  Fe269  1  0.914485  0.508968  0.547714  1
  Fe  Fe270  1  0.053012  0.496823  0.559613  1
  Fe  Fe271  1  0.650478  0.336293  0.553609  1
  Fe  Fe272  1  0.150478  0.336293  0.553609  1
  Fe  Fe273  1  0.289014  0.324191  0.565512  1
  Fe  Fe274  1  0.483811  1.002960  0.553609  1
  Fe  Fe275  1  0.427495  0.312075  0.577362  1
  Fe  Fe276  1  0.622347  0.990858  0.565512  1
  Fe  Fe277  1  0.789014  0.324191  0.565512  1
  Fe  Fe278  1  0.983811  1.002960  0.553609  1
  Fe  Fe279  1  0.927495  0.312075  0.577362  1
  Fe  Fe280  1  0.122347  0.990858  0.565512  1
  Fe  Fe281  1  0.317145  0.669626  0.553609  1
  Fe  Fe282  1  0.260828  0.978742  0.577362  1
  Fe  Fe283  1  0.455681  0.657525  0.565512  1
  Fe  Fe284  1  0.594161  0.645408  0.577362  1
  Fe  Fe285  1  0.817145  0.669626  0.553609  1
  Fe  Fe286  1  0.760828  0.978742  0.577362  1
  Fe  Fe287  1  0.955681  0.657525  0.565512  1
  Fe  Fe288  1  0.094161  0.645408  0.577362  1
  Fe  Fe289  1  0.440674  0.114673  0.607380  1
  Fe  Fe290  1  0.940674  0.114673  0.607380  1
  Fe  Fe291  1  0.163672  0.139048  0.583576  1
  Fe  Fe292  1  0.274007  0.781340  0.607380  1
  Fe  Fe293  1  0.302330  0.126809  0.595522  1
  Fe  Fe294  1  0.497006  0.805714  0.583576  1
  Fe  Fe295  1  0.663672  0.139048  0.583576  1
  Fe  Fe296  1  0.774007  0.781340  0.607380  1
  Fe  Fe297  1  0.802330  0.126809  0.595522  1
  Fe  Fe298  1  -0.002994  0.805714  0.583576  1
  Fe  Fe299  1  0.107341  0.448006  0.607380  1
  Fe  Fe300  1  0.135663  0.793476  0.595522  1
  Fe  Fe301  1  0.330339  0.472381  0.583576  1
  Fe  Fe302  1  0.468996  0.460142  0.595522  1
  Fe  Fe303  1  0.607341  0.448006  0.607380  1
  Fe  Fe304  1  0.635663  0.793476  0.595522  1
  Fe  Fe305  1  0.830339  0.472381  0.583576  1
  Fe  Fe306  1  0.968996  0.460142  0.595522  1
  Fe  Fe307  1  0.566396  0.299687  0.589403  1
  Fe  Fe308  1  0.066396  0.299687  0.589403  1
  Fe  Fe309  1  0.205020  0.287494  0.601338  1
  Fe  Fe310  1  0.399730  0.966353  0.589403  1
  Fe  Fe311  1  0.343325  0.275579  0.613243  1
  Fe  Fe312  1  0.538353  0.954160  0.601338  1
  Fe  Fe313  1  0.705020  0.287494  0.601338  1
  Fe  Fe314  1  0.899730  0.966353  0.589403  1
  Fe  Fe315  1  0.843325  0.275579  0.613243  1
  Fe  Fe316  1  0.038353  0.954160  0.601338  1
  Fe  Fe317  1  0.233063  0.633020  0.589403  1
  Fe  Fe318  1  0.176658  0.942246  0.613243  1
  Fe  Fe319  1  0.371686  0.620827  0.601338  1
  Fe  Fe320  1  0.509991  0.608912  0.613243  1
  Fe  Fe321  1  0.733063  0.633020  0.589403  1
  Fe  Fe322  1  0.676658  0.942246  0.613243  1
  Fe  Fe323  1  0.871686  0.620827  0.601338  1
  Fe  Fe324  1  0.009991  0.608912  0.613243  1
  Fe  Fe325  1  0.356952  0.077973  0.643485  1
  Fe  Fe326  1  0.856952  0.077973  0.643485  1
  Fe  Fe327  1  0.079005  0.102567  0.619236  1
  Fe  Fe328  1  0.190285  0.744639  0.643485  1
  Fe  Fe329  1  0.218438  0.090252  0.631448  1
  Fe  Fe330  1  0.412338  0.769234  0.619236  1
  Fe  Fe331  1  0.579005  0.102567  0.619236  1
  Fe  Fe332  1  0.690285  0.744639  0.643485  1
  Fe  Fe333  1  0.718438  0.090252  0.631448  1
  Fe  Fe334  1  0.912338  0.769234  0.619236  1
  Fe  Fe335  1  0.023618  0.411306  0.643485  1
  Fe  Fe336  1  0.051771  0.756919  0.631448  1
  Fe  Fe337  1  0.245672  0.435901  0.619236  1
  Fe  Fe338  1  0.385104  0.423586  0.631448  1
  Fe  Fe339  1  0.523618  0.411306  0.643485  1
  Fe  Fe340  1  0.551771  0.756919  0.631448  1
  Fe  Fe341  1  0.745672  0.435901  0.619236  1
  Fe  Fe342  1  0.885104  0.423586  0.631448  1
  Fe  Fe343  1  0.481623  0.263579  0.624834  1
  Fe  Fe344  1  0.981623  0.263579  0.624834  1
  Fe  Fe345  1  0.121396  0.250818  0.637094  1
  Fe  Fe346  1  0.314956  0.930246  0.624834  1
  Fe  Fe347  1  0.259342  0.239017  0.649227  1
  Fe  Fe348  1  0.454730  0.917484  0.637094  1
  Fe  Fe349  1  0.621396  0.250818  0.637094  1
  Fe  Fe350  1  0.814956  0.930246  0.624834  1
  Fe  Fe351  1  0.759342  0.239017  0.649227  1
  Fe  Fe352  1  0.954730  0.917484  0.637094  1
  Fe  Fe353  1  0.148290  0.596912  0.624834  1
  Fe  Fe354  1  0.092676  0.905683  0.649227  1
  Fe  Fe355  1  0.288063  0.584151  0.637094  1
  Fe  Fe356  1  0.426009  0.572350  0.649227  1
  Fe  Fe357  1  0.648290  0.596912  0.624834  1
  Fe  Fe358  1  0.592676  0.905683  0.649227  1
  Fe  Fe359  1  0.788063  0.584151  0.637094  1
  Fe  Fe360  1  0.926009  0.572350  0.649227  1
  Fe  Fe361  1  0.274455  0.039554  0.679324  1
  Fe  Fe362  1  0.774455  0.039554  0.679324  1
  Fe  Fe363  1  -0.005968  0.065618  0.655315  1
  Fe  Fe364  1  0.107788  0.706221  0.679324  1
  Fe  Fe365  1  0.133444  0.054310  0.666824  1
  Fe  Fe366  1  0.327365  0.732285  0.655315  1
  Fe  Fe367  1  0.494032  0.065618  0.655315  1
  Fe  Fe368  1  0.607788  0.706221  0.679324  1
  Fe  Fe369  1  0.633444  0.054310  0.666824  1
  Fe  Fe370  1  0.827365  0.732285  0.655315  1
  Fe  Fe371  1  0.941121  0.372888  0.679324  1
  Fe  Fe372  1  0.966778  0.720977  0.666824  1
  Fe  Fe373  1  0.160698  0.398952  0.655315  1
  Fe  Fe374  1  0.300111  0.387643  0.666824  1
  Fe  Fe375  1  0.441121  0.372888  0.679324  1
  Fe  Fe376  1  0.466778  0.720977  0.666824  1
  Fe  Fe377  1  0.660698  0.398952  0.655315  1
  Fe  Fe378  1  0.800111  0.387643  0.666824  1
  Fe  Fe379  1  0.397389  0.227404  0.660938  1
  Fe  Fe380  1  0.897389  0.227404  0.660938  1
  Fe  Fe381  1  0.036644  0.213079  0.671418  1
  Fe  Fe382  1  0.230722  0.894071  0.660938  1
  Fe  Fe383  1  0.176853  0.200462  0.685111  1
  Fe  Fe384  1  0.369978  0.879746  0.671418  1
  Fe  Fe385  1  0.536644  0.213079  0.671418  1
  Fe  Fe386  1  0.730722  0.894071  0.660938  1
  Fe  Fe387  1  0.676853  0.200462  0.685111  1
  Fe  Fe388  1  0.869978  0.879746  0.671418  1
  Fe  Fe389  1  0.064055  0.560737  0.660938  1
  Fe  Fe390  1  0.010186  0.867129  0.685111  1
  Fe  Fe391  1  0.203311  0.546412  0.671418  1
  Fe  Fe392  1  0.343519  0.533795  0.685111  1
  Fe  Fe393  1  0.564055  0.560737  0.660938  1
  Fe  Fe394  1  0.510186  0.867129  0.685111  1
  Fe  Fe395  1  0.703311  0.546412  0.671418  1
  Fe  Fe396  1  0.843519  0.533795  0.685111  1
  Fe  Fe397  1  0.183252  0.014994  0.713848  1
  Fe  Fe398  1  0.683252  0.014994  0.713848  1
  Fe  Fe399  1  0.910806  0.027785  0.691883  1
  Fe  Fe400  1  0.016586  0.681660  0.713848  1
  Fe  Fe401  1  0.047778  0.022498  0.702829  1
  Fe  Fe402  1  0.244140  0.694452  0.691883  1
  Fe  Fe403  1  0.410806  0.027785  0.691883  1
  Fe  Fe404  1  0.516586  0.681660  0.713848  1
  Fe  Fe405  1  0.547778  0.022498  0.702829  1
  Fe  Fe406  1  0.744140  0.694452  0.691883  1
  Fe  Fe407  1  0.849919  0.348327  0.713848  1
  Fe  Fe408  1  0.881111  0.689165  0.702829  1
  Fe  Fe409  1  0.077473  0.361119  0.691883  1
  Fe  Fe410  1  0.214445  0.355831  0.702829  1
  Fe  Fe411  1  0.349919  0.348327  0.713848  1
  Fe  Fe412  1  0.381111  0.689165  0.702829  1
  Fe  Fe413  1  0.577473  0.361119  0.691883  1
  Fe  Fe414  1  0.714445  0.355831  0.702829  1
  Fe  Fe415  1  0.313661  0.193572  0.696938  1
  Fe  Fe416  1  0.813661  0.193572  0.696938  1
  Fe  Fe417  1  0.950363  0.186491  0.708115  1
  Fe  Fe418  1  0.146994  0.860239  0.696938  1
  Fe  Fe419  1  0.084564  0.175645  0.718392  1
  Fe  Fe420  1  0.283696  0.853158  0.708115  1
  Fe  Fe421  1  0.450363  0.186491  0.708115  1
  Fe  Fe422  1  0.646994  0.860239  0.696938  1
  Fe  Fe423  1  0.584564  0.175645  0.718392  1
  Fe  Fe424  1  0.783696  0.853158  0.708115  1
  Fe  Fe425  1  0.980328  0.526905  0.696938  1
  Fe  Fe426  1  0.917897  0.842312  0.718392  1
  Fe  Fe427  1  0.117030  0.519825  0.708115  1
  Fe  Fe428  1  0.251230  0.508978  0.718392  1
  Fe  Fe429  1  0.480328  0.526905  0.696938  1
  Fe  Fe430  1  0.417897  0.842312  0.718392  1
  Fe  Fe431  1  0.617030  0.519825  0.708115  1
  Fe  Fe432  1  0.751230  0.508978  0.718392  1
