# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.84039726
_cell_length_b   14.19270289
_cell_length_c   47.90235957
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.87762164
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe450 C180'
_cell_volume   11198.7831989
_cell_formula_units_Z   90
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  0.699485  0.406742  0.336393  1
  Fe  Fe2  1  0.032818  0.406742  0.336393  1
  Fe  Fe3  1  0.912563  0.535806  0.275141  1
  Fe  Fe4  1  0.366152  0.406742  0.336393  1
  Fe  Fe5  1  0.245897  0.535806  0.275141  1
  Fe  Fe6  1  0.305607  0.972587  0.306352  1
  Fe  Fe7  1  0.579230  0.535806  0.275141  1
  Fe  Fe8  1  0.638940  0.972587  0.306352  1
  Fe  Fe9  1  0.972273  0.972587  0.306352  1
  Fe  Fe10  1  0.027444  0.544789  0.359836  1
  Fe  Fe11  1  0.360777  0.544789  0.359836  1
  Fe  Fe12  1  0.238832  0.677055  0.299216  1
  Fe  Fe13  1  0.694111  0.544789  0.359836  1
  Fe  Fe14  1  0.572165  0.677055  0.299216  1
  Fe  Fe15  1  0.632414  0.110117  0.329443  1
  Fe  Fe16  1  0.905498  0.677055  0.299216  1
  Fe  Fe17  1  0.965747  0.110117  0.329443  1
  Fe  Fe18  1  0.299080  0.110117  0.329443  1
  Fe  Fe19  1  0.846726  0.359184  0.301613  1
  Fe  Fe20  1  0.180059  0.359184  0.301613  1
  Fe  Fe21  1  0.242005  0.796316  0.331431  1
  Fe  Fe22  1  0.513392  0.359184  0.301613  1
  Fe  Fe23  1  0.575339  0.796316  0.331431  1
  Fe  Fe24  1  0.636085  0.231013  0.361594  1
  Fe  Fe25  1  0.908672  0.796316  0.331431  1
  Fe  Fe26  1  0.969418  0.231013  0.361594  1
  Fe  Fe27  1  0.302751  0.231013  0.361594  1
  Fe  Fe28  1  0.768555  0.269514  0.344385  1
  Fe  Fe29  1  0.101888  0.269514  0.344385  1
  Fe  Fe30  1  0.970063  0.390531  0.283387  1
  Fe  Fe31  1  0.435221  0.269514  0.344385  1
  Fe  Fe32  1  0.303396  0.390531  0.283387  1
  Fe  Fe33  1  0.375468  0.833947  0.314618  1
  Fe  Fe34  1  0.636729  0.390531  0.283387  1
  Fe  Fe35  1  0.708801  0.833947  0.314618  1
  Fe  Fe36  1  0.042134  0.833947  0.314618  1
  Fe  Fe37  1  0.958402  0.681247  0.351038  1
  Fe  Fe38  1  0.291736  0.681247  0.351038  1
  Fe  Fe39  1  0.169045  0.811894  0.290227  1
  Fe  Fe40  1  0.625069  0.681247  0.351038  1
  Fe  Fe41  1  0.502378  0.811894  0.290227  1
  Fe  Fe42  1  0.563659  0.247703  0.321116  1
  Fe  Fe43  1  0.835712  0.811894  0.290227  1
  Fe  Fe44  1  0.896992  0.247703  0.321116  1
  Fe  Fe45  1  0.230326  0.247703  0.321116  1
  Fe  Fe46  1  0.784155  0.488266  0.295721  1
  Fe  Fe47  1  0.117488  0.488266  0.295721  1
  Fe  Fe48  1  0.180588  0.924720  0.327175  1
  Fe  Fe49  1  0.450822  0.488266  0.295721  1
  Fe  Fe50  1  0.513921  0.924720  0.327175  1
  Fe  Fe51  1  0.574245  0.358944  0.357496  1
  Fe  Fe52  1  0.847254  0.924720  0.327175  1
  Fe  Fe53  1  0.907578  0.358944  0.357496  1
  Fe  Fe54  1  0.240911  0.358944  0.357496  1
  Fe  Fe55  1  0.632401  0.133860  0.274605  1
  Fe  Fe56  1  0.965735  0.133860  0.274605  1
  Fe  Fe57  1  0.027127  0.570739  0.304264  1
  Fe  Fe58  1  0.299068  0.133860  0.274605  1
  Fe  Fe59  1  0.360460  0.570739  0.304264  1
  Fe  Fe60  1  0.419154  0.003506  0.334835  1
  Fe  Fe61  1  0.693794  0.570739  0.304264  1
  Fe  Fe62  1  0.752487  0.003506  0.334835  1
  Fe  Fe63  1  0.085821  0.003506  0.334835  1
  Fe  Fe64  1  0.755488  0.154163  0.307254  1
  Fe  Fe65  1  0.088822  0.154163  0.307254  1
  Fe  Fe66  1  0.152222  0.590492  0.338628  1
  Fe  Fe67  1  0.422155  0.154163  0.307254  1
  Fe  Fe68  1  0.485556  0.590492  0.338628  1
  Fe  Fe69  1  0.364174  0.728288  0.277670  1
  Fe  Fe70  1  0.818889  0.590492  0.338628  1
  Fe  Fe71  1  0.697507  0.728288  0.277670  1
  Fe  Fe72  1  0.030841  0.728288  0.277670  1
  Fe  Fe73  1  0.694150  0.285345  0.304411  1
  Fe  Fe74  1  0.027484  0.285345  0.304411  1
  Fe  Fe75  1  0.089716  0.718736  0.334363  1
  Fe  Fe76  1  0.360817  0.285345  0.304411  1
  Fe  Fe77  1  0.423049  0.718736  0.334363  1
  Fe  Fe78  1  0.301748  0.849779  0.273768  1
  Fe  Fe79  1  0.756382  0.718736  0.334363  1
  Fe  Fe80  1  0.635082  0.849779  0.273768  1
  Fe  Fe81  1  0.968415  0.849779  0.273768  1
  Fe  Fe82  1  0.912073  0.512977  0.330788  1
  Fe  Fe83  1  0.245406  0.512977  0.330788  1
  Fe  Fe84  1  0.306539  0.946227  0.361146  1
  Fe  Fe85  1  0.578740  0.512977  0.330788  1
  Fe  Fe86  1  0.639873  0.946227  0.361146  1
  Fe  Fe87  1  0.515949  0.073882  0.300618  1
  Fe  Fe88  1  0.973206  0.946227  0.361146  1
  Fe  Fe89  1  0.849282  0.073882  0.300618  1
  Fe  Fe90  1  0.182615  0.073882  0.300618  1
  Fe  Fe91  1  0.881142  0.705650  0.427393  1
  Fe  Fe92  1  0.214475  0.705650  0.427393  1
  Fe  Fe93  1  0.093170  0.838746  0.366681  1
  Fe  Fe94  1  0.547809  0.705650  0.427393  1
  Fe  Fe95  1  0.426503  0.838746  0.366681  1
  Fe  Fe96  1  0.487093  0.272568  0.396917  1
  Fe  Fe97  1  0.759836  0.838746  0.366681  1
  Fe  Fe98  1  0.820426  0.272568  0.396917  1
  Fe  Fe99  1  0.153760  0.272568  0.396917  1
  Fe  Fe100  1  0.209655  0.845642  0.450695  1
  Fe  Fe101  1  0.542988  0.845642  0.450695  1
  Fe  Fe102  1  0.421483  0.978554  0.389983  1
  Fe  Fe103  1  0.876321  0.845642  0.450695  1
  Fe  Fe104  1  0.754816  0.978554  0.389983  1
  Fe  Fe105  1  0.815301  0.411498  0.420372  1
  Fe  Fe106  1  0.088149  0.978554  0.389983  1
  Fe  Fe107  1  0.148634  0.411498  0.420372  1
  Fe  Fe108  1  0.481968  0.411498  0.420372  1
  Fe  Fe109  1  0.030271  0.664196  0.392077  1
  Fe  Fe110  1  0.363604  0.664196  0.392077  1
  Fe  Fe111  1  0.424443  0.098066  0.422334  1
  Fe  Fe112  1  0.696938  0.664196  0.392077  1
  Fe  Fe113  1  0.757776  0.098066  0.422334  1
  Fe  Fe114  1  0.818395  0.531339  0.452813  1
  Fe  Fe115  1  0.091109  0.098066  0.422334  1
  Fe  Fe116  1  0.151729  0.531339  0.452813  1
  Fe  Fe117  1  0.485062  0.531339  0.452813  1
  Fe  Fe118  1  0.950828  0.568811  0.435683  1
  Fe  Fe119  1  0.284161  0.568811  0.435683  1
  Fe  Fe120  1  0.162869  0.701476  0.375058  1
  Fe  Fe121  1  0.617494  0.568811  0.435683  1
  Fe  Fe122  1  0.496203  0.701476  0.375058  1
  Fe  Fe123  1  0.556751  0.135570  0.405190  1
  Fe  Fe124  1  0.829536  0.701476  0.375058  1
  Fe  Fe125  1  0.890085  0.135570  0.405190  1
  Fe  Fe126  1  0.223418  0.135570  0.405190  1
  Fe  Fe127  1  0.139954  0.982299  0.442402  1
  Fe  Fe128  1  0.473288  0.982299  0.442402  1
  Fe  Fe129  1  0.352044  0.115048  0.381501  1
  Fe  Fe130  1  0.806621  0.982299  0.442402  1
  Fe  Fe131  1  0.685378  0.115048  0.381501  1
  Fe  Fe132  1  0.745705  0.548613  0.412212  1
  Fe  Fe133  1  0.018711  0.115048  0.381501  1
  Fe  Fe134  1  0.079038  0.548613  0.412212  1
  Fe  Fe135  1  0.412372  0.548613  0.412212  1
  Fe  Fe136  1  0.968481  0.792334  0.387956  1
  Fe  Fe137  1  0.301814  0.792334  0.387956  1
  Fe  Fe138  1  0.362718  0.225968  0.418104  1
  Fe  Fe139  1  0.635148  0.792334  0.387956  1
  Fe  Fe140  1  0.696051  0.225968  0.418104  1
  Fe  Fe141  1  0.756916  0.659712  0.448634  1
  Fe  Fe142  1  0.029384  0.225968  0.418104  1
  Fe  Fe143  1  0.090249  0.659712  0.448634  1
  Fe  Fe144  1  0.423582  0.659712  0.448634  1
  Fe  Fe145  1  0.813784  0.437665  0.364779  1
  Fe  Fe146  1  0.147118  0.437665  0.364779  1
  Fe  Fe147  1  0.207990  0.871075  0.395452  1
  Fe  Fe148  1  0.480451  0.437665  0.364779  1
  Fe  Fe149  1  0.541323  0.871075  0.395452  1
  Fe  Fe150  1  0.602093  0.304689  0.425791  1
  Fe  Fe151  1  0.874657  0.871075  0.395452  1
  Fe  Fe152  1  0.935426  0.304689  0.425791  1
  Fe  Fe153  1  0.268760  0.304689  0.425791  1
  Fe  Fe154  1  0.939729  0.458219  0.399226  1
  Fe  Fe155  1  0.273062  0.458219  0.399226  1
  Fe  Fe156  1  0.333846  0.891722  0.429488  1
  Fe  Fe157  1  0.606395  0.458219  0.399226  1
  Fe  Fe158  1  0.667179  0.891722  0.429488  1
  Fe  Fe159  1  0.545810  0.024312  0.368737  1
  Fe  Fe160  1  0.000513  0.891722  0.429488  1
  Fe  Fe161  1  0.879143  0.024312  0.368737  1
  Fe  Fe162  1  0.212476  0.024312  0.368737  1
  Fe  Fe163  1  0.878374  0.585968  0.395085  1
  Fe  Fe164  1  0.211707  0.585968  0.395085  1
  Fe  Fe165  1  0.272347  0.019907  0.425291  1
  Fe  Fe166  1  0.545041  0.585968  0.395085  1
  Fe  Fe167  1  0.605680  0.019907  0.425291  1
  Fe  Fe168  1  0.484238  0.153027  0.364625  1
  Fe  Fe169  1  0.939013  0.019907  0.425291  1
  Fe  Fe170  1  0.817571  0.153027  0.364625  1
  Fe  Fe171  1  0.150905  0.153027  0.364625  1
  Fe  Fe172  1  0.094576  0.813061  0.421936  1
  Fe  Fe173  1  0.427909  0.813061  0.421936  1
  Fe  Fe174  1  0.488661  0.246488  0.452344  1
  Fe  Fe175  1  0.761242  0.813061  0.421936  1
  Fe  Fe176  1  0.821994  0.246488  0.452344  1
  Fe  Fe177  1  0.700477  0.379526  0.391616  1
  Fe  Fe178  1  0.155327  0.246488  0.452344  1
  Fe  Fe179  1  0.033811  0.379526  0.391616  1
  Fe  Fe180  1  0.367144  0.379526  0.391616  1
  Fe  Fe181  1  0.063595  0.006846  0.518445  1
  Fe  Fe182  1  0.396929  0.006846  0.518445  1
  Fe  Fe183  1  0.275356  0.139593  0.457688  1
  Fe  Fe184  1  0.730262  0.006846  0.518445  1
  Fe  Fe185  1  0.608689  0.139593  0.457688  1
  Fe  Fe186  1  0.669317  0.572893  0.488131  1
  Fe  Fe187  1  0.942022  0.139593  0.457688  1
  Fe  Fe188  1  0.002650  0.572893  0.488131  1
  Fe  Fe189  1  0.335984  0.572893  0.488131  1
  Fe  Fe190  1  0.391776  0.146029  0.541865  1
  Fe  Fe191  1  0.725109  0.146029  0.541865  1
  Fe  Fe192  1  0.603536  0.278776  0.481108  1
  Fe  Fe193  1  0.058442  0.146029  0.541865  1
  Fe  Fe194  1  0.936870  0.278776  0.481108  1
  Fe  Fe195  1  0.997815  0.712729  0.511422  1
  Fe  Fe196  1  0.270203  0.278776  0.481108  1
  Fe  Fe197  1  0.331148  0.712729  0.511422  1
  Fe  Fe198  1  0.664481  0.712729  0.511422  1
  Fe  Fe199  1  0.212664  0.965269  0.483099  1
  Fe  Fe200  1  0.545997  0.965269  0.483099  1
  Fe  Fe201  1  0.606620  0.398541  0.513528  1
  Fe  Fe202  1  0.879331  0.965269  0.483099  1
  Fe  Fe203  1  0.939954  0.398541  0.513528  1
  Fe  Fe204  1  0.000859  0.832427  0.543830  1
  Fe  Fe205  1  0.273287  0.398541  0.513528  1
  Fe  Fe206  1  0.334192  0.832427  0.543830  1
  Fe  Fe207  1  0.667526  0.832427  0.543830  1
  Fe  Fe208  1  0.133229  0.869971  0.526701  1
  Fe  Fe209  1  0.466562  0.869971  0.526701  1
  Fe  Fe210  1  0.345026  0.002752  0.465951  1
  Fe  Fe211  1  0.799895  0.869971  0.526701  1
  Fe  Fe212  1  0.678359  0.002752  0.465951  1
  Fe  Fe213  1  0.738990  0.436102  0.496417  1
  Fe  Fe214  1  0.011693  0.002752  0.465951  1
  Fe  Fe215  1  0.072324  0.436102  0.496417  1
  Fe  Fe216  1  0.405657  0.436102  0.496417  1
  Fe  Fe217  1  0.322106  0.282870  0.533602  1
  Fe  Fe218  1  0.655439  0.282870  0.533602  1
  Fe  Fe219  1  0.533903  0.415651  0.472852  1
  Fe  Fe220  1  0.988772  0.282870  0.533602  1
  Fe  Fe221  1  0.867236  0.415651  0.472852  1
  Fe  Fe222  1  0.928141  0.849520  0.503136  1
  Fe  Fe223  1  0.200570  0.415651  0.472852  1
  Fe  Fe224  1  0.261474  0.849520  0.503136  1
  Fe  Fe225  1  0.594808  0.849520  0.503136  1
  Fe  Fe226  1  0.151065  0.093282  0.478852  1
  Fe  Fe227  1  0.484398  0.093282  0.478852  1
  Fe  Fe228  1  0.545055  0.526758  0.509311  1
  Fe  Fe229  1  0.817731  0.093282  0.478852  1
  Fe  Fe230  1  0.878389  0.526758  0.509311  1
  Fe  Fe231  1  0.939259  0.960540  0.539595  1
  Fe  Fe232  1  0.211722  0.526758  0.509311  1
  Fe  Fe233  1  0.272592  0.960540  0.539595  1
  Fe  Fe234  1  0.605926  0.960540  0.539595  1
  Fe  Fe235  1  0.996217  0.738265  0.456184  1
  Fe  Fe236  1  0.329550  0.738265  0.456184  1
  Fe  Fe237  1  0.390238  0.171907  0.486447  1
  Fe  Fe238  1  0.662884  0.738265  0.456184  1
  Fe  Fe239  1  0.723571  0.171907  0.486447  1
  Fe  Fe240  1  0.784381  0.605436  0.516914  1
  Fe  Fe241  1  0.056905  0.171907  0.486447  1
  Fe  Fe242  1  0.117714  0.605436  0.516914  1
  Fe  Fe243  1  0.451047  0.605436  0.516914  1
  Fe  Fe244  1  0.122076  0.758864  0.490242  1
  Fe  Fe245  1  0.455410  0.758864  0.490242  1
  Fe  Fe246  1  0.516067  0.192340  0.520701  1
  Fe  Fe247  1  0.788743  0.758864  0.490242  1
  Fe  Fe248  1  0.849400  0.192340  0.520701  1
  Fe  Fe249  1  0.727873  0.325082  0.459958  1
  Fe  Fe250  1  0.182733  0.192340  0.520701  1
  Fe  Fe251  1  0.061206  0.325082  0.459958  1
  Fe  Fe252  1  0.394539  0.325082  0.459958  1
  Fe  Fe253  1  0.060511  0.887081  0.486025  1
  Fe  Fe254  1  0.393845  0.887081  0.486025  1
  Fe  Fe255  1  0.454468  0.320353  0.516454  1
  Fe  Fe256  1  0.727178  0.887081  0.486025  1
  Fe  Fe257  1  0.787801  0.320353  0.516454  1
  Fe  Fe258  1  0.666273  0.453195  0.455723  1
  Fe  Fe259  1  0.121134  0.320353  0.516454  1
  Fe  Fe260  1  0.999606  0.453195  0.455723  1
  Fe  Fe261  1  0.332939  0.453195  0.455723  1
  Fe  Fe262  1  0.276893  0.113715  0.513106  1
  Fe  Fe263  1  0.610227  0.113715  0.513106  1
  Fe  Fe264  1  0.670914  0.547357  0.543369  1
  Fe  Fe265  1  0.943560  0.113715  0.513106  1
  Fe  Fe266  1  0.004248  0.547357  0.543369  1
  Fe  Fe267  1  0.882751  0.680186  0.482639  1
  Fe  Fe268  1  0.337581  0.547357  0.543369  1
  Fe  Fe269  1  0.216084  0.680186  0.482639  1
  Fe  Fe270  1  0.549417  0.680186  0.482639  1
  Fe  Fe271  1  0.245649  0.307068  0.609570  1
  Fe  Fe272  1  0.578982  0.307068  0.609570  1
  Fe  Fe273  1  0.457477  0.439980  0.548858  1
  Fe  Fe274  1  0.912316  0.307068  0.609570  1
  Fe  Fe275  1  0.790810  0.439980  0.548858  1
  Fe  Fe276  1  0.851831  0.874124  0.579181  1
  Fe  Fe277  1  0.124143  0.439980  0.548858  1
  Fe  Fe278  1  0.185164  0.874124  0.579181  1
  Fe  Fe279  1  0.518497  0.874124  0.579181  1
  Fe  Fe280  1  0.573962  0.446876  0.632872  1
  Fe  Fe281  1  0.907295  0.446876  0.632872  1
  Fe  Fe282  1  0.785989  0.579972  0.572160  1
  Fe  Fe283  1  0.240629  0.446876  0.632872  1
  Fe  Fe284  1  0.119323  0.579972  0.572160  1
  Fe  Fe285  1  0.180039  0.013054  0.602636  1
  Fe  Fe286  1  0.452656  0.579972  0.572160  1
  Fe  Fe287  1  0.513372  0.013054  0.602636  1
  Fe  Fe288  1  0.846705  0.013054  0.602636  1
  Fe  Fe289  1  0.394785  0.265715  0.574262  1
  Fe  Fe290  1  0.728118  0.265715  0.574262  1
  Fe  Fe291  1  0.788757  0.699654  0.604468  1
  Fe  Fe292  1  0.061451  0.265715  0.574262  1
  Fe  Fe293  1  0.122091  0.699654  0.604468  1
  Fe  Fe294  1  0.182894  0.132595  0.634928  1
  Fe  Fe295  1  0.455424  0.699654  0.604468  1
  Fe  Fe296  1  0.516227  0.132595  0.634928  1
  Fe  Fe297  1  0.849560  0.132595  0.634928  1
  Fe  Fe298  1  0.315087  0.170574  0.618052  1
  Fe  Fe299  1  0.648421  0.170574  0.618052  1
  Fe  Fe300  1  0.527177  0.303323  0.557150  1
  Fe  Fe301  1  0.981754  0.170574  0.618052  1
  Fe  Fe302  1  0.860511  0.303323  0.557150  1
  Fe  Fe303  1  0.921426  0.737009  0.587341  1
  Fe  Fe304  1  0.193844  0.303323  0.557150  1
  Fe  Fe305  1  0.254760  0.737009  0.587341  1
  Fe  Fe306  1  0.588093  0.737009  0.587341  1
  Fe  Fe307  1  0.504262  0.584146  0.624494  1
  Fe  Fe308  1  0.837595  0.584146  0.624494  1
  Fe  Fe309  1  0.716304  0.716811  0.563870  1
  Fe  Fe310  1  0.170929  0.584146  0.624494  1
  Fe  Fe311  1  0.049637  0.716811  0.563870  1
  Fe  Fe312  1  0.110380  0.150052  0.594362  1
  Fe  Fe313  1  0.382970  0.716811  0.563870  1
  Fe  Fe314  1  0.443713  0.150052  0.594362  1
  Fe  Fe315  1  0.777047  0.150052  0.594362  1
  Fe  Fe316  1  0.333285  0.393900  0.570065  1
  Fe  Fe317  1  0.666619  0.393900  0.570065  1
  Fe  Fe318  1  0.727403  0.827403  0.600327  1
  Fe  Fe319  1  0.999952  0.393900  0.570065  1
  Fe  Fe320  1  0.060736  0.827403  0.600327  1
  Fe  Fe321  1  0.121322  0.261310  0.630815  1
  Fe  Fe322  1  0.394070  0.827403  0.600327  1
  Fe  Fe323  1  0.454655  0.261310  0.630815  1
  Fe  Fe324  1  0.787989  0.261310  0.630815  1
  Fe  Fe325  1  0.178471  0.039134  0.547208  1
  Fe  Fe326  1  0.511804  0.039134  0.547208  1
  Fe  Fe327  1  0.572556  0.472561  0.577616  1
  Fe  Fe328  1  0.845138  0.039134  0.547208  1
  Fe  Fe329  1  0.905889  0.472561  0.577616  1
  Fe  Fe330  1  0.966654  0.906096  0.607937  1
  Fe  Fe331  1  0.239223  0.472561  0.577616  1
  Fe  Fe332  1  0.299988  0.906096  0.607937  1
  Fe  Fe333  1  0.633321  0.906096  0.607937  1
  Fe  Fe334  1  0.304414  0.059654  0.581449  1
  Fe  Fe335  1  0.637747  0.059654  0.581449  1
  Fe  Fe336  1  0.698650  0.493288  0.611596  1
  Fe  Fe337  1  0.971081  0.059654  0.581449  1
  Fe  Fe338  1  0.031984  0.493288  0.611596  1
  Fe  Fe339  1  0.910216  0.625910  0.550918  1
  Fe  Fe340  1  0.365317  0.493288  0.611596  1
  Fe  Fe341  1  0.243549  0.625910  0.550918  1
  Fe  Fe342  1  0.576883  0.625910  0.550918  1
  Fe  Fe343  1  0.242689  0.187556  0.577219  1
  Fe  Fe344  1  0.576022  0.187556  0.577219  1
  Fe  Fe345  1  0.636861  0.621426  0.607476  1
  Fe  Fe346  1  0.909356  0.187556  0.577219  1
  Fe  Fe347  1  0.970194  0.621426  0.607476  1
  Fe  Fe348  1  0.848736  0.754283  0.546740  1
  Fe  Fe349  1  0.303527  0.621426  0.607476  1
  Fe  Fe350  1  0.182070  0.754283  0.546740  1
  Fe  Fe351  1  0.515403  0.754283  0.546740  1
  Fe  Fe352  1  0.459142  0.414547  0.604101  1
  Fe  Fe353  1  0.792475  0.414547  0.604101  1
  Fe  Fe354  1  0.853347  0.847957  0.634774  1
  Fe  Fe355  1  0.125808  0.414547  0.604101  1
  Fe  Fe356  1  0.186681  0.847957  0.634774  1
  Fe  Fe357  1  0.065039  0.980933  0.573761  1
  Fe  Fe358  1  0.520014  0.847957  0.634774  1
  Fe  Fe359  1  0.398372  0.980933  0.573761  1
  Fe  Fe360  1  0.731705  0.980933  0.573761  1
  Fe  Fe361  1  0.428300  0.608567  0.700337  1
  Fe  Fe362  1  0.761633  0.608567  0.700337  1
  Fe  Fe363  1  0.639687  0.740833  0.639717  1
  Fe  Fe364  1  0.094967  0.608567  0.700337  1
  Fe  Fe365  1  0.973021  0.740833  0.639717  1
  Fe  Fe366  1  0.034718  0.175505  0.670110  1
  Fe  Fe367  1  0.306354  0.740833  0.639717  1
  Fe  Fe368  1  0.368051  0.175505  0.670110  1
  Fe  Fe369  1  0.701385  0.175505  0.670110  1
  Fe  Fe370  1  0.754568  0.749816  0.724412  1
  Fe  Fe371  1  0.087901  0.749816  0.724412  1
  Fe  Fe372  1  0.967646  0.878880  0.663159  1
  Fe  Fe373  1  0.421235  0.749816  0.724412  1
  Fe  Fe374  1  0.300980  0.878880  0.663159  1
  Fe  Fe375  1  0.361525  0.313035  0.693201  1
  Fe  Fe376  1  0.634313  0.878880  0.663159  1
  Fe  Fe377  1  0.694858  0.313035  0.693201  1
  Fe  Fe378  1  0.028191  0.313035  0.693201  1
  Fe  Fe379  1  0.577416  0.566886  0.665190  1
  Fe  Fe380  1  0.910749  0.566886  0.665190  1
  Fe  Fe381  1  0.972981  1.000277  0.695142  1
  Fe  Fe382  1  0.244083  0.566886  0.665190  1
  Fe  Fe383  1  0.306315  1.000277  0.695142  1
  Fe  Fe384  1  0.365383  0.435843  0.725784  1
  Fe  Fe385  1  0.639648  1.000277  0.695142  1
  Fe  Fe386  1  0.698717  0.435843  0.725784  1
  Fe  Fe387  1  0.032050  0.435843  0.725784  1
  Fe  Fe388  1  0.498086  0.473728  0.709326  1
  Fe  Fe389  1  0.831420  0.473728  0.709326  1
  Fe  Fe390  1  0.708729  0.604375  0.648515  1
  Fe  Fe391  1  0.164753  0.473728  0.709326  1
  Fe  Fe392  1  0.042062  0.604375  0.648515  1
  Fe  Fe393  1  0.103472  0.037919  0.678437  1
  Fe  Fe394  1  0.375396  0.604375  0.648515  1
  Fe  Fe395  1  0.436806  0.037919  0.678437  1
  Fe  Fe396  1  0.770139  0.037919  0.678437  1
  Fe  Fe397  1  0.697069  0.895091  0.716165  1
  Fe  Fe398  1  0.030402  0.895091  0.716165  1
  Fe  Fe399  1  0.898577  0.016108  0.655168  1
  Fe  Fe400  1  0.363736  0.895091  0.716165  1
  Fe  Fe401  1  0.231910  0.016108  0.655168  1
  Fe  Fe402  1  0.291664  0.451675  0.684935  1
  Fe  Fe403  1  0.565244  0.016108  0.655168  1
  Fe  Fe404  1  0.624997  0.451675  0.684935  1
  Fe  Fe405  1  0.958331  0.451675  0.684935  1
  Fe  Fe406  1  0.514909  0.695130  0.660925  1
  Fe  Fe407  1  0.848242  0.695130  0.660925  1
  Fe  Fe408  1  0.911643  0.131459  0.692298  1
  Fe  Fe409  1  0.181576  0.695130  0.660925  1
  Fe  Fe410  1  0.244977  0.131459  0.692298  1
  Fe  Fe411  1  0.302958  0.557334  0.721883  1
  Fe  Fe412  1  0.578310  0.131459  0.692298  1
  Fe  Fe413  1  0.636291  0.557334  0.721883  1
  Fe  Fe414  1  0.969624  0.557334  0.721883  1
  Fe  Fe415  1  0.360592  0.339395  0.638407  1
  Fe  Fe416  1  0.693926  0.339395  0.638407  1
  Fe  Fe417  1  0.755059  0.772645  0.668765  1
  Fe  Fe418  1  0.027259  0.339395  0.638407  1
  Fe  Fe419  1  0.088392  0.772645  0.668765  1
  Fe  Fe420  1  0.151183  0.211740  0.698934  1
  Fe  Fe421  1  0.421725  0.772645  0.668765  1
  Fe  Fe422  1  0.484516  0.211740  0.698934  1
  Fe  Fe423  1  0.817849  0.211740  0.698934  1
  Fe  Fe424  1  0.486544  0.360902  0.672377  1
  Fe  Fe425  1  0.819877  0.360902  0.672377  1
  Fe  Fe426  1  0.882977  0.797356  0.703831  1
  Fe  Fe427  1  0.153211  0.360902  0.672377  1
  Fe  Fe428  1  0.216310  0.797356  0.703831  1
  Fe  Fe429  1  0.092887  0.926678  0.642057  1
  Fe  Fe430  1  0.549643  0.797356  0.703831  1
  Fe  Fe431  1  0.426220  0.926678  0.642057  1
  Fe  Fe432  1  0.759554  0.926678  0.642057  1
  Fe  Fe433  1  0.425126  0.489306  0.668122  1
  Fe  Fe434  1  0.758459  0.489306  0.668122  1
  Fe  Fe435  1  0.820406  0.926438  0.697940  1
  Fe  Fe436  1  0.091793  0.489306  0.668122  1
  Fe  Fe437  1  0.153739  0.926438  0.697940  1
  Fe  Fe438  1  0.031047  0.054609  0.637959  1
  Fe  Fe439  1  0.487072  0.926438  0.697940  1
  Fe  Fe440  1  0.364380  0.054609  0.637959  1
  Fe  Fe441  1  0.697714  0.054609  0.637959  1
  Fe  Fe442  1  0.640004  0.714883  0.695288  1
  Fe  Fe443  1  0.973338  0.714883  0.695288  1
  Fe  Fe444  1  0.034730  0.151762  0.724948  1
  Fe  Fe445  1  0.306671  0.714883  0.695288  1
  Fe  Fe446  1  0.368063  0.151762  0.724948  1
  Fe  Fe447  1  0.247978  0.282116  0.664718  1
  Fe  Fe448  1  0.701397  0.151762  0.724948  1
  Fe  Fe449  1  0.581311  0.282116  0.664718  1
  Fe  Fe450  1  0.914644  0.282116  0.664718  1
  C  C451  1  0.791862  0.404346  0.325626  1
  C  C452  1  0.125195  0.404346  0.325626  1
  C  C453  1  0.185793  0.836195  0.356378  1
  C  C454  1  0.458528  0.404346  0.325626  1
  C  C455  1  0.519126  0.836195  0.356378  1
  C  C456  1  0.397021  0.967660  0.295791  1
  C  C457  1  0.852460  0.836195  0.356378  1
  C  C458  1  0.730354  0.967660  0.295791  1
  C  C459  1  0.063687  0.967660  0.295791  1
  C  C460  1  0.594097  0.227474  0.284626  1
  C  C461  1  0.927431  0.227474  0.284626  1
  C  C462  1  0.990963  0.666884  0.314316  1
  C  C463  1  0.260764  0.227474  0.284626  1
  C  C464  1  0.324297  0.666884  0.314316  1
  C  C465  1  0.385469  0.102610  0.344769  1
  C  C466  1  0.657630  0.666884  0.314316  1
  C  C467  1  0.718802  0.102610  0.344769  1
  C  C468  1  0.052136  0.102610  0.344769  1
  C  C469  1  0.947813  0.416473  0.320639  1
  C  C470  1  0.281146  0.416473  0.320639  1
  C  C471  1  0.341563  0.848840  0.351003  1
  C  C472  1  0.614479  0.416473  0.320639  1
  C  C473  1  0.674896  0.848840  0.351003  1
  C  C474  1  0.553378  0.979778  0.290108  1
  C  C475  1  0.008229  0.848840  0.351003  1
  C  C476  1  0.886712  0.979778  0.290108  1
  C  C477  1  0.220045  0.979778  0.290108  1
  C  C478  1  0.751038  0.247509  0.279233  1
  C  C479  1  0.084372  0.247509  0.279233  1
  C  C480  1  0.145631  0.678088  0.309503  1
  C  C481  1  0.417705  0.247509  0.279233  1
  C  C482  1  0.478964  0.678088  0.309503  1
  C  C483  1  0.539294  0.111751  0.339526  1
  C  C484  1  0.812297  0.678088  0.309503  1
  C  C485  1  0.872628  0.111751  0.339526  1
  C  C486  1  0.205961  0.111751  0.339526  1
  C  C487  1  0.974070  0.703860  0.417089  1
  C  C488  1  0.307403  0.703860  0.417089  1
  C  C489  1  0.368227  0.137747  0.447336  1
  C  C490  1  0.640737  0.703860  0.417089  1
  C  C491  1  0.701560  0.137747  0.447336  1
  C  C492  1  0.580074  0.270803  0.386672  1
  C  C493  1  0.034893  0.137747  0.447336  1
  C  C494  1  0.913408  0.270803  0.386672  1
  C  C495  1  0.246741  0.270803  0.386672  1
  C  C496  1  0.778892  0.534546  0.375601  1
  C  C497  1  0.112225  0.534546  0.375601  1
  C  C498  1  0.172903  0.968243  0.405744  1
  C  C499  1  0.445558  0.534546  0.375601  1
  C  C500  1  0.506236  0.968243  0.405744  1
  C  C501  1  0.566795  0.401503  0.436192  1
  C  C502  1  0.839570  0.968243  0.405744  1
  C  C503  1  0.900128  0.401503  0.436192  1
  C  C504  1  0.233462  0.401503  0.436192  1
  C  C505  1  0.129724  0.715976  0.411634  1
  C  C506  1  0.463058  0.715976  0.411634  1
  C  C507  1  0.523910  0.149692  0.441862  1
  C  C508  1  0.796391  0.715976  0.411634  1
  C  C509  1  0.857244  0.149692  0.441862  1
  C  C510  1  0.735542  0.282529  0.381124  1
  C  C511  1  0.190577  0.149692  0.441862  1
  C  C512  1  0.068875  0.282529  0.381124  1
  C  C513  1  0.402208  0.282529  0.381124  1
  C  C514  1  0.934271  0.546275  0.369931  1
  C  C515  1  0.267605  0.546275  0.369931  1
  C  C516  1  0.328472  0.980137  0.400270  1
  C  C517  1  0.600938  0.546275  0.369931  1
  C  C518  1  0.661805  0.980137  0.400270  1
  C  C519  1  0.722479  0.413441  0.430735  1
  C  C520  1  0.995139  0.980137  0.400270  1
  C  C521  1  0.055812  0.413441  0.430735  1
  C  C522  1  0.389146  0.413441  0.430735  1
  C  C523  1  0.156468  0.005006  0.508096  1
  C  C524  1  0.489802  0.005006  0.508096  1
  C  C525  1  0.550419  0.438302  0.538515  1
  C  C526  1  0.823135  0.005006  0.508096  1
  C  C527  1  0.883752  0.438302  0.538515  1
  C  C528  1  0.762249  0.571148  0.477814  1
  C  C529  1  0.217086  0.438302  0.538515  1
  C  C530  1  0.095583  0.571148  0.477814  1
  C  C531  1  0.428916  0.571148  0.477814  1
  C  C532  1  0.961040  0.835320  0.466483  1
  C  C533  1  0.294373  0.835320  0.466483  1
  C  C534  1  0.354965  0.268662  0.496942  1
  C  C535  1  0.627707  0.835320  0.466483  1
  C  C536  1  0.688299  0.268662  0.496942  1
  C  C537  1  0.749210  0.702481  0.527232  1
  C  C538  1  0.021632  0.268662  0.496942  1
  C  C539  1  0.082543  0.702481  0.527232  1
  C  C540  1  0.415877  0.702481  0.527232  1
  C  C541  1  0.312166  0.016960  0.502610  1
  C  C542  1  0.645500  0.016960  0.502610  1
  C  C543  1  0.706092  0.450302  0.533070  1
  C  C544  1  0.978833  0.016960  0.502610  1
  C  C545  1  0.039425  0.450302  0.533070  1
  C  C546  1  0.917922  0.583142  0.472321  1
  C  C547  1  0.372758  0.450302  0.533070  1
  C  C548  1  0.251255  0.583142  0.472321  1
  C  C549  1  0.584588  0.583142  0.472321  1
  C  C550  1  0.116713  0.847321  0.461038  1
  C  C551  1  0.450046  0.847321  0.461038  1
  C  C552  1  0.510663  0.280616  0.491456  1
  C  C553  1  0.783379  0.847321  0.461038  1
  C  C554  1  0.843996  0.280616  0.491456  1
  C  C555  1  0.904882  0.714474  0.521739  1
  C  C556  1  0.177330  0.280616  0.491456  1
  C  C557  1  0.238216  0.714474  0.521739  1
  C  C558  1  0.571549  0.714474  0.521739  1
  C  C559  1  0.338659  0.305485  0.599282  1
  C  C560  1  0.671993  0.305485  0.599282  1
  C  C561  1  0.732860  0.739347  0.629622  1
  C  C562  1  0.005326  0.305485  0.599282  1
  C  C563  1  0.066194  0.739347  0.629622  1
  C  C564  1  0.944653  0.872181  0.568817  1
  C  C565  1  0.399527  0.739347  0.629622  1
  C  C566  1  0.277986  0.872181  0.568817  1
  C  C567  1  0.611319  0.872181  0.568817  1
  C  C568  1  0.143221  0.135930  0.557691  1
  C  C569  1  0.476555  0.135930  0.557691  1
  C  C570  1  0.537407  0.569646  0.587918  1
  C  C571  1  0.809888  0.135930  0.557691  1
  C  C572  1  0.870741  0.569646  0.587918  1
  C  C573  1  0.931590  0.003093  0.618428  1
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