# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.18708678
_cell_length_b   14.27441409
_cell_length_c   20.18710241
_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   Fe499
_cell_volume   5817.09193157
_cell_formula_units_Z   499
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  -0.046942  0.140721  0.152603  1
  Fe  Fe2  1  -0.046942  0.140721  0.352963  1
  Fe  Fe3  1  -0.046942  0.140721  0.553152  1
  Fe  Fe4  1  -0.046942  0.140721  0.753512  1
  Fe  Fe5  1  -0.046942  0.343393  -0.046943  1
  Fe  Fe6  1  -0.046942  0.339578  0.151934  1
  Fe  Fe7  1  -0.046942  0.340695  0.352961  1
  Fe  Fe8  1  -0.046942  0.340695  0.553153  1
  Fe  Fe9  1  -0.046942  0.339578  0.754181  1
  Fe  Fe10  1  -0.046942  0.540893  -0.046943  1
  Fe  Fe11  1  -0.046942  0.540645  0.153012  1
  Fe  Fe12  1  -0.046942  0.540593  0.352898  1
  Fe  Fe13  1  -0.046942  0.540593  0.553216  1
  Fe  Fe14  1  -0.046942  0.540645  0.753102  1
  Fe  Fe15  1  -0.046942  0.740549  -0.046943  1
  Fe  Fe16  1  -0.046942  0.740797  0.153012  1
  Fe  Fe17  1  -0.046942  0.740848  0.352898  1
  Fe  Fe18  1  -0.046942  0.740848  0.553216  1
  Fe  Fe19  1  -0.046942  0.740797  0.753102  1
  Fe  Fe20  1  -0.046942  0.938049  -0.046943  1
  Fe  Fe21  1  -0.046942  0.941863  0.151934  1
  Fe  Fe22  1  -0.046942  0.940746  0.352961  1
  Fe  Fe23  1  -0.046942  0.940746  0.553153  1
  Fe  Fe24  1  -0.046942  0.941863  0.754181  1
  Fe  Fe25  1  0.152603  0.140721  -0.046943  1
  Fe  Fe26  1  0.153167  0.140721  0.153166  1
  Fe  Fe27  1  0.153054  0.140721  0.353065  1
  Fe  Fe28  1  0.153054  0.140721  0.553049  1
  Fe  Fe29  1  0.153167  0.140721  0.752948  1
  Fe  Fe30  1  0.151934  0.339578  -0.046943  1
  Fe  Fe31  1  0.153036  0.340686  0.153035  1
  Fe  Fe32  1  0.153045  0.340743  0.353057  1
  Fe  Fe33  1  0.153045  0.340743  0.553057  1
  Fe  Fe34  1  0.153036  0.340686  0.753079  1
  Fe  Fe35  1  0.153013  0.540645  -0.046943  1
  Fe  Fe36  1  0.152971  0.540618  0.152971  1
  Fe  Fe37  1  0.153015  0.540738  0.353022  1
  Fe  Fe38  1  0.153015  0.540738  0.553092  1
  Fe  Fe39  1  0.152971  0.540618  0.753143  1
  Fe  Fe40  1  0.153013  0.740797  -0.046943  1
  Fe  Fe41  1  0.152971  0.740823  0.152971  1
  Fe  Fe42  1  0.153015  0.740703  0.353022  1
  Fe  Fe43  1  0.153015  0.740703  0.553092  1
  Fe  Fe44  1  0.152971  0.740823  0.753143  1
  Fe  Fe45  1  0.151934  0.941863  -0.046943  1
  Fe  Fe46  1  0.153036  0.940755  0.153035  1
  Fe  Fe47  1  0.153045  0.940698  0.353057  1
  Fe  Fe48  1  0.153045  0.940698  0.553057  1
  Fe  Fe49  1  0.153036  0.940755  0.753079  1
  Fe  Fe50  1  0.352963  0.140721  -0.046943  1
  Fe  Fe51  1  0.353066  0.140721  0.153054  1
  Fe  Fe52  1  0.353058  0.140721  0.353058  1
  Fe  Fe53  1  0.353058  0.140721  0.553057  1
  Fe  Fe54  1  0.353066  0.140721  0.753061  1
  Fe  Fe55  1  0.352962  0.340695  -0.046943  1
  Fe  Fe56  1  0.353058  0.340743  0.153044  1
  Fe  Fe57  1  0.353052  0.340749  0.353051  1
  Fe  Fe58  1  0.353052  0.340749  0.553063  1
  Fe  Fe59  1  0.353058  0.340743  0.753070  1
  Fe  Fe60  1  0.352899  0.540593  -0.046943  1
  Fe  Fe61  1  0.353022  0.540738  0.153014  1
  Fe  Fe62  1  0.353043  0.540739  0.353043  1
  Fe  Fe63  1  0.353043  0.540739  0.553072  1
  Fe  Fe64  1  0.353022  0.540738  0.753100  1
  Fe  Fe65  1  0.352899  0.740848  -0.046943  1
  Fe  Fe66  1  0.353022  0.740703  0.153014  1
  Fe  Fe67  1  0.353043  0.740703  0.353043  1
  Fe  Fe68  1  0.353043  0.740703  0.553072  1
  Fe  Fe69  1  0.353022  0.740703  0.753100  1
  Fe  Fe70  1  0.352962  0.940746  -0.046943  1
  Fe  Fe71  1  0.353058  0.940698  0.153044  1
  Fe  Fe72  1  0.353052  0.940692  0.353051  1
  Fe  Fe73  1  0.353052  0.940692  0.553063  1
  Fe  Fe74  1  0.353058  0.940698  0.753070  1
  Fe  Fe75  1  0.553152  0.140721  -0.046943  1
  Fe  Fe76  1  0.553049  0.140721  0.153054  1
  Fe  Fe77  1  0.553057  0.140721  0.353058  1
  Fe  Fe78  1  0.553057  0.140721  0.553057  1
  Fe  Fe79  1  0.553049  0.140721  0.753061  1
  Fe  Fe80  1  0.553153  0.340695  -0.046943  1
  Fe  Fe81  1  0.553057  0.340743  0.153044  1
  Fe  Fe82  1  0.553063  0.340749  0.353051  1
  Fe  Fe83  1  0.553063  0.340749  0.553063  1
  Fe  Fe84  1  0.553057  0.340743  0.753070  1
  Fe  Fe85  1  0.553216  0.540593  -0.046943  1
  Fe  Fe86  1  0.553093  0.540738  0.153014  1
  Fe  Fe87  1  0.553072  0.540739  0.353043  1
  Fe  Fe88  1  0.553072  0.540739  0.553072  1
  Fe  Fe89  1  0.553093  0.540738  0.753100  1
  Fe  Fe90  1  0.553216  0.740848  -0.046943  1
  Fe  Fe91  1  0.553093  0.740703  0.153014  1
  Fe  Fe92  1  0.553072  0.740703  0.353043  1
  Fe  Fe93  1  0.553072  0.740703  0.553072  1
  Fe  Fe94  1  0.553093  0.740703  0.753100  1
  Fe  Fe95  1  0.553153  0.940746  -0.046943  1
  Fe  Fe96  1  0.553057  0.940698  0.153044  1
  Fe  Fe97  1  0.553063  0.940692  0.353051  1
  Fe  Fe98  1  0.553063  0.940692  0.553063  1
  Fe  Fe99  1  0.553057  0.940698  0.753070  1
  Fe  Fe100  1  0.753512  0.140721  -0.046943  1
  Fe  Fe101  1  0.752949  0.140721  0.153166  1
  Fe  Fe102  1  0.753061  0.140721  0.353065  1
  Fe  Fe103  1  0.753061  0.140721  0.553049  1
  Fe  Fe104  1  0.752949  0.140721  0.752948  1
  Fe  Fe105  1  0.754181  0.339578  -0.046943  1
  Fe  Fe106  1  0.753080  0.340686  0.153035  1
  Fe  Fe107  1  0.753071  0.340743  0.353057  1
  Fe  Fe108  1  0.753071  0.340743  0.553057  1
  Fe  Fe109  1  0.753080  0.340686  0.753079  1
  Fe  Fe110  1  0.753102  0.540645  -0.046943  1
  Fe  Fe111  1  0.753144  0.540618  0.152971  1
  Fe  Fe112  1  0.753100  0.540738  0.353022  1
  Fe  Fe113  1  0.753100  0.540738  0.553092  1
  Fe  Fe114  1  0.753144  0.540618  0.753143  1
  Fe  Fe115  1  0.753102  0.740797  -0.046943  1
  Fe  Fe116  1  0.753144  0.740823  0.152971  1
  Fe  Fe117  1  0.753100  0.740703  0.353022  1
  Fe  Fe118  1  0.753100  0.740703  0.553092  1
  Fe  Fe119  1  0.753144  0.740823  0.753143  1
  Fe  Fe120  1  0.754181  0.941863  -0.046943  1
  Fe  Fe121  1  0.753080  0.940755  0.153035  1
  Fe  Fe122  1  0.753071  0.940698  0.353057  1
  Fe  Fe123  1  0.753071  0.940698  0.553057  1
  Fe  Fe124  1  0.753080  0.940755  0.753079  1
  Fe  Fe125  1  -0.046942  0.237791  0.050142  1
  Fe  Fe126  1  -0.046942  0.240696  0.252827  1
  Fe  Fe127  1  -0.046942  0.240715  0.453057  1
  Fe  Fe128  1  -0.046942  0.240696  0.653288  1
  Fe  Fe129  1  -0.046942  0.237791  0.855972  1
  Fe  Fe130  1  -0.046942  0.440714  0.053166  1
  Fe  Fe131  1  -0.046942  0.440283  0.252625  1
  Fe  Fe132  1  -0.046942  0.440712  0.453057  1
  Fe  Fe133  1  -0.046942  0.440283  0.653489  1
  Fe  Fe134  1  -0.046942  0.440714  0.852949  1
  Fe  Fe135  1  -0.046942  0.640721  0.053084  1
  Fe  Fe136  1  -0.046942  0.640721  0.252974  1
  Fe  Fe137  1  -0.046942  0.640721  0.453057  1
  Fe  Fe138  1  -0.046942  0.640721  0.653140  1
  Fe  Fe139  1  -0.046942  0.640721  0.853030  1
  Fe  Fe140  1  -0.046942  0.840728  0.053166  1
  Fe  Fe141  1  -0.046942  0.841158  0.252625  1
  Fe  Fe142  1  -0.046942  0.840729  0.453057  1
  Fe  Fe143  1  -0.046942  0.841158  0.653489  1
  Fe  Fe144  1  -0.046942  0.840728  0.852949  1
  Fe  Fe145  1  -0.046942  1.043650  0.050142  1
  Fe  Fe146  1  -0.046942  1.040745  0.252827  1
  Fe  Fe147  1  -0.046942  1.040726  0.453057  1
  Fe  Fe148  1  -0.046942  1.040745  0.653288  1
  Fe  Fe149  1  -0.046942  1.043650  0.855972  1
  Fe  Fe150  1  0.153124  0.240822  0.053012  1
  Fe  Fe151  1  0.153063  0.240741  0.253083  1
  Fe  Fe152  1  0.153048  0.240734  0.453057  1
  Fe  Fe153  1  0.153063  0.240741  0.653032  1
  Fe  Fe154  1  0.153124  0.240822  0.853102  1
  Fe  Fe155  1  0.152921  0.440467  0.052939  1
  Fe  Fe156  1  0.153023  0.440712  0.253020  1
  Fe  Fe157  1  0.153032  0.440753  0.453057  1
  Fe  Fe158  1  0.153023  0.440712  0.653094  1
  Fe  Fe159  1  0.152921  0.440467  0.853175  1
  Fe  Fe160  1  0.153013  0.640721  0.053026  1
  Fe  Fe161  1  0.152982  0.640721  0.252976  1
  Fe  Fe162  1  0.153018  0.640721  0.453057  1
  Fe  Fe163  1  0.152982  0.640721  0.653138  1
  Fe  Fe164  1  0.153013  0.640721  0.853088  1
  Fe  Fe165  1  0.152921  0.840974  0.052939  1
  Fe  Fe166  1  0.153023  0.840729  0.253020  1
  Fe  Fe167  1  0.153032  0.840689  0.453057  1
  Fe  Fe168  1  0.153023  0.840729  0.653094  1
  Fe  Fe169  1  0.152921  0.840974  0.853175  1
  Fe  Fe170  1  0.153124  1.040619  0.053012  1
  Fe  Fe171  1  0.153063  1.040700  0.253083  1
  Fe  Fe172  1  0.153048  1.040708  0.453057  1
  Fe  Fe173  1  0.153063  1.040700  0.653032  1
  Fe  Fe174  1  0.153124  1.040619  0.853102  1
  Fe  Fe175  1  0.353038  0.240718  0.053046  1
  Fe  Fe176  1  0.353062  0.240738  0.253055  1
  Fe  Fe177  1  0.353054  0.240737  0.453057  1
  Fe  Fe178  1  0.353062  0.240738  0.653060  1
  Fe  Fe179  1  0.353038  0.240718  0.853069  1
  Fe  Fe180  1  0.353012  0.440699  0.053033  1
  Fe  Fe181  1  0.353044  0.440753  0.253036  1
  Fe  Fe182  1  0.353048  0.440747  0.453057  1
  Fe  Fe183  1  0.353044  0.440753  0.653078  1
  Fe  Fe184  1  0.353012  0.440699  0.853081  1
  Fe  Fe185  1  0.352995  0.640721  0.053003  1
  Fe  Fe186  1  0.353033  0.640721  0.253024  1
  Fe  Fe187  1  0.353044  0.640721  0.453057  1
  Fe  Fe188  1  0.353033  0.640721  0.653090  1
  Fe  Fe189  1  0.352995  0.640721  0.853111  1
  Fe  Fe190  1  0.353012  0.840742  0.053033  1
  Fe  Fe191  1  0.353044  0.840688  0.253036  1
  Fe  Fe192  1  0.353048  0.840694  0.453057  1
  Fe  Fe193  1  0.353044  0.840688  0.653078  1
  Fe  Fe194  1  0.353012  0.840742  0.853081  1
  Fe  Fe195  1  0.353038  1.040723  0.053046  1
  Fe  Fe196  1  0.353062  1.040703  0.253055  1
  Fe  Fe197  1  0.353054  1.040704  0.453057  1
  Fe  Fe198  1  0.353062  1.040703  0.653060  1
  Fe  Fe199  1  0.353038  1.040723  0.853069  1
  Fe  Fe200  1  0.553077  0.240718  0.053046  1
  Fe  Fe201  1  0.553053  0.240738  0.253055  1
  Fe  Fe202  1  0.553061  0.240737  0.453057  1
  Fe  Fe203  1  0.553053  0.240738  0.653060  1
  Fe  Fe204  1  0.553077  0.240718  0.853069  1
  Fe  Fe205  1  0.553103  0.440699  0.053033  1
  Fe  Fe206  1  0.553071  0.440753  0.253036  1
  Fe  Fe207  1  0.553067  0.440747  0.453057  1
  Fe  Fe208  1  0.553071  0.440753  0.653078  1
  Fe  Fe209  1  0.553103  0.440699  0.853081  1
  Fe  Fe210  1  0.553120  0.640721  0.053003  1
  Fe  Fe211  1  0.553083  0.640721  0.253024  1
  Fe  Fe212  1  0.553071  0.640721  0.453057  1
  Fe  Fe213  1  0.553083  0.640721  0.653090  1
  Fe  Fe214  1  0.553120  0.640721  0.853111  1
  Fe  Fe215  1  0.553103  0.840742  0.053033  1
  Fe  Fe216  1  0.553071  0.840688  0.253036  1
  Fe  Fe217  1  0.553067  0.840694  0.453057  1
  Fe  Fe218  1  0.553071  0.840688  0.653078  1
  Fe  Fe219  1  0.553103  0.840742  0.853081  1
  Fe  Fe220  1  0.553077  1.040723  0.053046  1
  Fe  Fe221  1  0.553053  1.040703  0.253055  1
  Fe  Fe222  1  0.553061  1.040704  0.453057  1
  Fe  Fe223  1  0.553053  1.040703  0.653060  1
  Fe  Fe224  1  0.553077  1.040723  0.853069  1
  Fe  Fe225  1  0.752991  0.240822  0.053012  1
  Fe  Fe226  1  0.753052  0.240741  0.253083  1
  Fe  Fe227  1  0.753068  0.240734  0.453057  1
  Fe  Fe228  1  0.753052  0.240741  0.653032  1
  Fe  Fe229  1  0.752991  0.240822  0.853102  1
  Fe  Fe230  1  0.753195  0.440467  0.052939  1
  Fe  Fe231  1  0.753092  0.440712  0.253020  1
  Fe  Fe232  1  0.753083  0.440753  0.453057  1
  Fe  Fe233  1  0.753092  0.440712  0.653094  1
  Fe  Fe234  1  0.753195  0.440467  0.853175  1
  Fe  Fe235  1  0.753102  0.640721  0.053026  1
  Fe  Fe236  1  0.753133  0.640721  0.252976  1
  Fe  Fe237  1  0.753097  0.640721  0.453057  1
  Fe  Fe238  1  0.753133  0.640721  0.653138  1
  Fe  Fe239  1  0.753102  0.640721  0.853088  1
  Fe  Fe240  1  0.753195  0.840974  0.052939  1
  Fe  Fe241  1  0.753092  0.840729  0.253020  1
  Fe  Fe242  1  0.753083  0.840689  0.453057  1
  Fe  Fe243  1  0.753092  0.840729  0.653094  1
  Fe  Fe244  1  0.753195  0.840974  0.853175  1
  Fe  Fe245  1  0.752991  1.040619  0.053012  1
  Fe  Fe246  1  0.753052  1.040700  0.253083  1
  Fe  Fe247  1  0.753068  1.040708  0.453057  1
  Fe  Fe248  1  0.753052  1.040700  0.653032  1
  Fe  Fe249  1  0.752991  1.040619  0.853102  1
  Fe  Fe250  1  0.054408  0.140721  0.054408  1
  Fe  Fe251  1  0.053055  0.140721  0.253032  1
  Fe  Fe252  1  0.053047  0.140721  0.453057  1
  Fe  Fe253  1  0.053055  0.140721  0.653083  1
  Fe  Fe254  1  0.054408  0.140721  0.851706  1
  Fe  Fe255  1  0.052826  0.340241  0.052826  1
  Fe  Fe256  1  0.053040  0.340679  0.253007  1
  Fe  Fe257  1  0.053042  0.340727  0.453057  1
  Fe  Fe258  1  0.053040  0.340679  0.653108  1
  Fe  Fe259  1  0.052826  0.340241  0.853288  1
  Fe  Fe260  1  0.053037  0.540670  0.053037  1
  Fe  Fe261  1  0.052992  0.540623  0.252964  1
  Fe  Fe262  1  0.053023  0.540724  0.453057  1
  Fe  Fe263  1  0.052992  0.540623  0.653150  1
  Fe  Fe264  1  0.053037  0.540670  0.853077  1
  Fe  Fe265  1  0.053037  0.740772  0.053037  1
  Fe  Fe266  1  0.052992  0.740818  0.252964  1
  Fe  Fe267  1  0.053023  0.740718  0.453057  1
  Fe  Fe268  1  0.052992  0.740818  0.653150  1
  Fe  Fe269  1  0.053037  0.740772  0.853077  1
  Fe  Fe270  1  0.052826  0.941200  0.052826  1
  Fe  Fe271  1  0.053040  0.940763  0.253007  1
  Fe  Fe272  1  0.053042  0.940714  0.453057  1
  Fe  Fe273  1  0.053040  0.940763  0.653108  1
  Fe  Fe274  1  0.052826  0.941200  0.853288  1
  Fe  Fe275  1  0.253032  0.140721  0.053055  1
  Fe  Fe276  1  0.253073  0.140721  0.253073  1
  Fe  Fe277  1  0.253053  0.140721  0.453057  1
  Fe  Fe278  1  0.253073  0.140721  0.653042  1
  Fe  Fe279  1  0.253032  0.140721  0.853060  1
  Fe  Fe280  1  0.253007  0.340679  0.053040  1
  Fe  Fe281  1  0.253052  0.340744  0.253051  1
  Fe  Fe282  1  0.253045  0.340751  0.453057  1
  Fe  Fe283  1  0.253052  0.340744  0.653063  1
  Fe  Fe284  1  0.253007  0.340679  0.853075  1
  Fe  Fe285  1  0.252965  0.540623  0.052991  1
  Fe  Fe286  1  0.253013  0.540739  0.253013  1
  Fe  Fe287  1  0.253033  0.540741  0.453057  1
  Fe  Fe288  1  0.253013  0.540739  0.653101  1
  Fe  Fe289  1  0.252965  0.540623  0.853123  1
  Fe  Fe290  1  0.252965  0.740818  0.052991  1
  Fe  Fe291  1  0.253013  0.740702  0.253013  1
  Fe  Fe292  1  0.253033  0.740700  0.453057  1
  Fe  Fe293  1  0.253013  0.740702  0.653101  1
  Fe  Fe294  1  0.252965  0.740818  0.853123  1
  Fe  Fe295  1  0.253007  0.940763  0.053040  1
  Fe  Fe296  1  0.253052  0.940697  0.253051  1
  Fe  Fe297  1  0.253045  0.940690  0.453057  1
  Fe  Fe298  1  0.253052  0.940697  0.653063  1
  Fe  Fe299  1  0.253007  0.940763  0.853075  1
  Fe  Fe300  1  0.453058  0.140721  0.053046  1
  Fe  Fe301  1  0.453058  0.140721  0.253053  1
  Fe  Fe302  1  0.453058  0.140721  0.453057  1
  Fe  Fe303  1  0.453058  0.140721  0.653061  1
  Fe  Fe304  1  0.453058  0.140721  0.853068  1
  Fe  Fe305  1  0.453058  0.340727  0.053042  1
  Fe  Fe306  1  0.453058  0.340751  0.253045  1
  Fe  Fe307  1  0.453058  0.340745  0.453057  1
  Fe  Fe308  1  0.453058  0.340751  0.653069  1
  Fe  Fe309  1  0.453058  0.340727  0.853073  1
  Fe  Fe310  1  0.453058  0.540724  0.053023  1
  Fe  Fe311  1  0.453058  0.540741  0.253032  1
  Fe  Fe312  1  0.453058  0.540735  0.453057  1
  Fe  Fe313  1  0.453058  0.540741  0.653082  1
  Fe  Fe314  1  0.453058  0.540724  0.853091  1
  Fe  Fe315  1  0.453058  0.740718  0.053023  1
  Fe  Fe316  1  0.453058  0.740700  0.253032  1
  Fe  Fe317  1  0.453058  0.740706  0.453057  1
  Fe  Fe318  1  0.453058  0.740700  0.653082  1
  Fe  Fe319  1  0.453058  0.740718  0.853091  1
  Fe  Fe320  1  0.453058  0.940714  0.053042  1
  Fe  Fe321  1  0.453058  0.940690  0.253045  1
  Fe  Fe322  1  0.453058  0.940697  0.453057  1
  Fe  Fe323  1  0.453058  0.940690  0.653069  1
  Fe  Fe324  1  0.453058  0.940714  0.853073  1
  Fe  Fe325  1  0.653083  0.140721  0.053055  1
  Fe  Fe326  1  0.653042  0.140721  0.253073  1
  Fe  Fe327  1  0.653062  0.140721  0.453057  1
  Fe  Fe328  1  0.653042  0.140721  0.653042  1
  Fe  Fe329  1  0.653083  0.140721  0.853060  1
  Fe  Fe330  1  0.653108  0.340679  0.053040  1
  Fe  Fe331  1  0.653063  0.340744  0.253051  1
  Fe  Fe332  1  0.653070  0.340751  0.453057  1
  Fe  Fe333  1  0.653063  0.340744  0.653063  1
  Fe  Fe334  1  0.653108  0.340679  0.853075  1
  Fe  Fe335  1  0.653150  0.540623  0.052991  1
  Fe  Fe336  1  0.653102  0.540739  0.253013  1
  Fe  Fe337  1  0.653082  0.540741  0.453057  1
  Fe  Fe338  1  0.653102  0.540739  0.653101  1
  Fe  Fe339  1  0.653150  0.540623  0.853123  1
  Fe  Fe340  1  0.653150  0.740818  0.052991  1
  Fe  Fe341  1  0.653102  0.740702  0.253013  1
  Fe  Fe342  1  0.653082  0.740700  0.453057  1
  Fe  Fe343  1  0.653102  0.740702  0.653101  1
  Fe  Fe344  1  0.653150  0.740818  0.853123  1
  Fe  Fe345  1  0.653108  0.940763  0.053040  1
  Fe  Fe346  1  0.653063  0.940697  0.253051  1
  Fe  Fe347  1  0.653070  0.940690  0.453057  1
  Fe  Fe348  1  0.653063  0.940697  0.653063  1
  Fe  Fe349  1  0.653108  0.940763  0.853075  1
  Fe  Fe350  1  0.851707  0.140721  0.054408  1
  Fe  Fe351  1  0.853060  0.140721  0.253032  1
  Fe  Fe352  1  0.853068  0.140721  0.453057  1
  Fe  Fe353  1  0.853060  0.140721  0.653083  1
  Fe  Fe354  1  0.851707  0.140721  0.851706  1
  Fe  Fe355  1  0.853289  0.340241  0.052826  1
  Fe  Fe356  1  0.853075  0.340679  0.253007  1
  Fe  Fe357  1  0.853073  0.340727  0.453057  1
  Fe  Fe358  1  0.853075  0.340679  0.653108  1
  Fe  Fe359  1  0.853289  0.340241  0.853288  1
  Fe  Fe360  1  0.853078  0.540670  0.053037  1
  Fe  Fe361  1  0.853123  0.540623  0.252964  1
  Fe  Fe362  1  0.853092  0.540724  0.453057  1
  Fe  Fe363  1  0.853123  0.540623  0.653150  1
  Fe  Fe364  1  0.853078  0.540670  0.853077  1
  Fe  Fe365  1  0.853078  0.740772  0.053037  1
  Fe  Fe366  1  0.853123  0.740818  0.252964  1
  Fe  Fe367  1  0.853092  0.740718  0.453057  1
  Fe  Fe368  1  0.853123  0.740818  0.653150  1
  Fe  Fe369  1  0.853078  0.740772  0.853077  1
  Fe  Fe370  1  0.853289  0.941200  0.052826  1
  Fe  Fe371  1  0.853075  0.940763  0.253007  1
  Fe  Fe372  1  0.853073  0.940714  0.453057  1
  Fe  Fe373  1  0.853075  0.940763  0.653108  1
  Fe  Fe374  1  0.853289  0.941200  0.853288  1
  Fe  Fe375  1  0.050143  0.237791  -0.046943  1
  Fe  Fe376  1  0.053012  0.240822  0.153124  1
  Fe  Fe377  1  0.053046  0.240718  0.353037  1
  Fe  Fe378  1  0.053046  0.240718  0.553077  1
  Fe  Fe379  1  0.053012  0.240822  0.752990  1
  Fe  Fe380  1  0.053166  0.440714  -0.046943  1
  Fe  Fe381  1  0.052939  0.440467  0.152920  1
  Fe  Fe382  1  0.053034  0.440699  0.353012  1
  Fe  Fe383  1  0.053034  0.440699  0.553103  1
  Fe  Fe384  1  0.052939  0.440467  0.753194  1
  Fe  Fe385  1  0.053085  0.640721  -0.046943  1
  Fe  Fe386  1  0.053027  0.640721  0.153013  1
  Fe  Fe387  1  0.053004  0.640721  0.352994  1
  Fe  Fe388  1  0.053004  0.640721  0.553120  1
  Fe  Fe389  1  0.053027  0.640721  0.753102  1
  Fe  Fe390  1  0.053166  0.840728  -0.046943  1
  Fe  Fe391  1  0.052939  0.840974  0.152920  1
  Fe  Fe392  1  0.053034  0.840742  0.353012  1
  Fe  Fe393  1  0.053034  0.840742  0.553103  1
  Fe  Fe394  1  0.052939  0.840974  0.753194  1
  Fe  Fe395  1  0.050143  1.043650  -0.046943  1
  Fe  Fe396  1  0.053012  1.040619  0.153124  1
  Fe  Fe397  1  0.053046  1.040723  0.353037  1
  Fe  Fe398  1  0.053046  1.040723  0.553077  1
  Fe  Fe399  1  0.053012  1.040619  0.752990  1
  Fe  Fe400  1  0.252827  0.240696  -0.046943  1
  Fe  Fe401  1  0.253083  0.240741  0.153062  1
  Fe  Fe402  1  0.253055  0.240738  0.353062  1
  Fe  Fe403  1  0.253055  0.240738  0.553053  1
  Fe  Fe404  1  0.253083  0.240741  0.753052  1
  Fe  Fe405  1  0.252626  0.440283  -0.046943  1
  Fe  Fe406  1  0.253020  0.440712  0.153023  1
  Fe  Fe407  1  0.253037  0.440753  0.353044  1
  Fe  Fe408  1  0.253037  0.440753  0.553071  1
  Fe  Fe409  1  0.253020  0.440712  0.753092  1
  Fe  Fe410  1  0.252974  0.640721  -0.046943  1
  Fe  Fe411  1  0.252976  0.640721  0.152982  1
  Fe  Fe412  1  0.253024  0.640721  0.353032  1
  Fe  Fe413  1  0.253024  0.640721  0.553082  1
  Fe  Fe414  1  0.252976  0.640721  0.753133  1
  Fe  Fe415  1  0.252626  0.841158  -0.046943  1
  Fe  Fe416  1  0.253020  0.840729  0.153023  1
  Fe  Fe417  1  0.253037  0.840688  0.353044  1
  Fe  Fe418  1  0.253037  0.840688  0.553071  1
  Fe  Fe419  1  0.253020  0.840729  0.753092  1
  Fe  Fe420  1  0.252827  1.040745  -0.046943  1
  Fe  Fe421  1  0.253083  1.040700  0.153062  1
  Fe  Fe422  1  0.253055  1.040703  0.353062  1
  Fe  Fe423  1  0.253055  1.040703  0.553053  1
  Fe  Fe424  1  0.253083  1.040700  0.753052  1
  Fe  Fe425  1  0.453058  0.240715  -0.046943  1
  Fe  Fe426  1  0.453058  0.240734  0.153047  1
  Fe  Fe427  1  0.453058  0.240737  0.353054  1
  Fe  Fe428  1  0.453058  0.240737  0.553061  1
  Fe  Fe429  1  0.453058  0.240734  0.753067  1
  Fe  Fe430  1  0.453058  0.440712  -0.046943  1
  Fe  Fe431  1  0.453058  0.440753  0.153031  1
  Fe  Fe432  1  0.453058  0.440747  0.353047  1
  Fe  Fe433  1  0.453058  0.440747  0.553067  1
  Fe  Fe434  1  0.453058  0.440753  0.753083  1
  Fe  Fe435  1  0.453058  0.640721  -0.046943  1
  Fe  Fe436  1  0.453058  0.640721  0.153017  1
  Fe  Fe437  1  0.453058  0.640721  0.353044  1
  Fe  Fe438  1  0.453058  0.640721  0.553070  1
  Fe  Fe439  1  0.453058  0.640721  0.753097  1
  Fe  Fe440  1  0.453058  0.840729  -0.046943  1
  Fe  Fe441  1  0.453058  0.840689  0.153031  1
  Fe  Fe442  1  0.453058  0.840694  0.353047  1
  Fe  Fe443  1  0.453058  0.840694  0.553067  1
  Fe  Fe444  1  0.453058  0.840689  0.753083  1
  Fe  Fe445  1  0.453058  1.040726  -0.046943  1
  Fe  Fe446  1  0.453058  1.040708  0.153047  1
  Fe  Fe447  1  0.453058  1.040704  0.353054  1
  Fe  Fe448  1  0.453058  1.040704  0.553061  1
  Fe  Fe449  1  0.453058  1.040708  0.753067  1
  Fe  Fe450  1  0.653288  0.240696  -0.046943  1
  Fe  Fe451  1  0.653032  0.240741  0.153062  1
  Fe  Fe452  1  0.653060  0.240738  0.353062  1
  Fe  Fe453  1  0.653060  0.240738  0.553053  1
  Fe  Fe454  1  0.653032  0.240741  0.753052  1
  Fe  Fe455  1  0.653489  0.440283  -0.046943  1
  Fe  Fe456  1  0.653095  0.440712  0.153023  1
  Fe  Fe457  1  0.653078  0.440753  0.353044  1
  Fe  Fe458  1  0.653078  0.440753  0.553071  1
  Fe  Fe459  1  0.653095  0.440712  0.753092  1
  Fe  Fe460  1  0.653141  0.640721  -0.046943  1
  Fe  Fe461  1  0.653139  0.640721  0.152982  1
  Fe  Fe462  1  0.653091  0.640721  0.353032  1
  Fe  Fe463  1  0.653091  0.640721  0.553082  1
  Fe  Fe464  1  0.653139  0.640721  0.753133  1
  Fe  Fe465  1  0.653489  0.841158  -0.046943  1
  Fe  Fe466  1  0.653095  0.840729  0.153023  1
  Fe  Fe467  1  0.653078  0.840688  0.353044  1
  Fe  Fe468  1  0.653078  0.840688  0.553071  1
  Fe  Fe469  1  0.653095  0.840729  0.753092  1
  Fe  Fe470  1  0.653288  1.040745  -0.046943  1
  Fe  Fe471  1  0.653032  1.040700  0.153062  1
  Fe  Fe472  1  0.653060  1.040703  0.353062  1
  Fe  Fe473  1  0.653060  1.040703  0.553053  1
  Fe  Fe474  1  0.653032  1.040700  0.753052  1
  Fe  Fe475  1  0.855972  0.237791  -0.046943  1
  Fe  Fe476  1  0.853103  0.240822  0.153124  1
  Fe  Fe477  1  0.853069  0.240718  0.353037  1
  Fe  Fe478  1  0.853069  0.240718  0.553077  1
  Fe  Fe479  1  0.853103  0.240822  0.752990  1
  Fe  Fe480  1  0.852949  0.440714  -0.046943  1
  Fe  Fe481  1  0.853176  0.440467  0.152920  1
  Fe  Fe482  1  0.853081  0.440699  0.353012  1
  Fe  Fe483  1  0.853081  0.440699  0.553103  1
  Fe  Fe484  1  0.853176  0.440467  0.753194  1
  Fe  Fe485  1  0.853030  0.640721  -0.046943  1
  Fe  Fe486  1  0.853089  0.640721  0.153013  1
  Fe  Fe487  1  0.853111  0.640721  0.352994  1
  Fe  Fe488  1  0.853111  0.640721  0.553120  1
  Fe  Fe489  1  0.853089  0.640721  0.753102  1
  Fe  Fe490  1  0.852949  0.840728  -0.046943  1
  Fe  Fe491  1  0.853176  0.840974  0.152920  1
  Fe  Fe492  1  0.853081  0.840742  0.353012  1
  Fe  Fe493  1  0.853081  0.840742  0.553103  1
  Fe  Fe494  1  0.853176  0.840974  0.753194  1
  Fe  Fe495  1  0.855972  1.043650  -0.046943  1
  Fe  Fe496  1  0.853103  1.040619  0.153124  1
  Fe  Fe497  1  0.853069  1.040723  0.353037  1
  Fe  Fe498  1  0.853069  1.040723  0.553077  1
  Fe  Fe499  1  0.853103  1.040619  0.752990  1
