# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.03231692
_cell_length_b   15.05744514
_cell_length_c   48.23874996
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.66712211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe432 P432'
_cell_volume   25825.7118646
_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  0.757865  0.941156  0.286209  1
  Fe  Fe2  1  0.424531  0.941156  0.286209  1
  Fe  Fe3  1  0.584098  0.877095  0.309977  1
  Fe  Fe4  1  0.091198  0.941156  0.286209  1
  Fe  Fe5  1  0.250764  0.877095  0.309977  1
  Fe  Fe6  1  0.591198  0.441156  0.286209  1
  Fe  Fe7  1  0.750764  0.377095  0.309977  1
  Fe  Fe8  1  0.917431  0.877095  0.309977  1
  Fe  Fe9  1  0.257865  0.441156  0.286209  1
  Fe  Fe10  1  0.417431  0.377095  0.309977  1
  Fe  Fe11  1  0.924531  0.441156  0.286209  1
  Fe  Fe12  1  0.084098  0.377095  0.309977  1
  Fe  Fe13  1  0.911563  0.074248  0.317418  1
  Fe  Fe14  1  0.578229  0.074248  0.317418  1
  Fe  Fe15  1  0.754153  0.133147  0.292508  1
  Fe  Fe16  1  0.244896  0.074248  0.317418  1
  Fe  Fe17  1  0.420820  0.133147  0.292508  1
  Fe  Fe18  1  0.744896  0.574248  0.317418  1
  Fe  Fe19  1  0.920820  0.633147  0.292508  1
  Fe  Fe20  1  0.087486  0.133147  0.292508  1
  Fe  Fe21  1  0.411563  0.574248  0.317418  1
  Fe  Fe22  1  0.587486  0.633147  0.292508  1
  Fe  Fe23  1  0.078229  0.574248  0.317418  1
  Fe  Fe24  1  0.254153  0.633147  0.292508  1
  Fe  Fe25  1  0.829149  0.130038  0.308850  1
  Fe  Fe26  1  0.495816  0.130038  0.308850  1
  Fe  Fe27  1  0.672465  0.198641  0.285817  1
  Fe  Fe28  1  0.162482  0.130038  0.308850  1
  Fe  Fe29  1  0.339131  0.198641  0.285817  1
  Fe  Fe30  1  0.662482  0.630038  0.308850  1
  Fe  Fe31  1  0.839131  0.698641  0.285817  1
  Fe  Fe32  1  0.005798  0.198641  0.285817  1
  Fe  Fe33  1  0.329149  0.630038  0.308850  1
  Fe  Fe34  1  0.505798  0.698641  0.285817  1
  Fe  Fe35  1  0.995816  0.630038  0.308850  1
  Fe  Fe36  1  0.172465  0.698641  0.285817  1
  Fe  Fe37  1  0.836130  0.883530  0.292078  1
  Fe  Fe38  1  0.502797  0.883530  0.292078  1
  Fe  Fe39  1  0.662239  0.827025  0.316688  1
  Fe  Fe40  1  0.169464  0.883530  0.292078  1
  Fe  Fe41  1  0.328906  0.827025  0.316688  1
  Fe  Fe42  1  0.669464  0.383530  0.292078  1
  Fe  Fe43  1  0.828906  0.327025  0.316688  1
  Fe  Fe44  1  0.995573  0.827025  0.316688  1
  Fe  Fe45  1  0.336130  0.383530  0.292078  1
  Fe  Fe46  1  0.495573  0.327025  0.316688  1
  Fe  Fe47  1  0.002797  0.383530  0.292078  1
  Fe  Fe48  1  0.162239  0.327025  0.316688  1
  Fe  Fe49  1  0.740622  0.821734  0.331277  1
  Fe  Fe50  1  0.407288  0.821734  0.331277  1
  Fe  Fe51  1  0.568344  0.757586  0.357916  1
  Fe  Fe52  1  0.073955  0.821734  0.331277  1
  Fe  Fe53  1  0.235011  0.757586  0.357916  1
  Fe  Fe54  1  0.573955  0.321734  0.331277  1
  Fe  Fe55  1  0.735011  0.257586  0.357916  1
  Fe  Fe56  1  0.901678  0.757586  0.357916  1
  Fe  Fe57  1  0.240622  0.321734  0.331277  1
  Fe  Fe58  1  0.401678  0.257586  0.357916  1
  Fe  Fe59  1  0.907288  0.321734  0.331277  1
  Fe  Fe60  1  0.068344  0.257586  0.357916  1
  Fe  Fe61  1  0.897033  0.951918  0.363545  1
  Fe  Fe62  1  0.563700  0.951918  0.363545  1
  Fe  Fe63  1  0.736983  0.015275  0.336946  1
  Fe  Fe64  1  0.230366  0.951918  0.363545  1
  Fe  Fe65  1  0.403650  0.015275  0.336946  1
  Fe  Fe66  1  0.730366  0.451918  0.363545  1
  Fe  Fe67  1  0.903650  0.515275  0.336946  1
  Fe  Fe68  1  0.070317  0.015275  0.336946  1
  Fe  Fe69  1  0.397033  0.451918  0.363545  1
  Fe  Fe70  1  0.570317  0.515275  0.336946  1
  Fe  Fe71  1  0.063700  0.451918  0.363545  1
  Fe  Fe72  1  0.236983  0.515275  0.336946  1
  Fe  Fe73  1  0.816242  0.008303  0.357041  1
  Fe  Fe74  1  0.482908  0.008303  0.357041  1
  Fe  Fe75  1  0.656813  0.074970  0.329202  1
  Fe  Fe76  1  0.149575  0.008303  0.357041  1
  Fe  Fe77  1  0.323479  0.074970  0.329202  1
  Fe  Fe78  1  0.649575  0.508303  0.357041  1
  Fe  Fe79  1  0.823479  0.574970  0.329202  1
  Fe  Fe80  1  0.990146  0.074970  0.329202  1
  Fe  Fe81  1  0.316242  0.508303  0.357041  1
  Fe  Fe82  1  0.490146  0.574970  0.329202  1
  Fe  Fe83  1  0.982908  0.508303  0.357041  1
  Fe  Fe84  1  0.156813  0.574970  0.329202  1
  Fe  Fe85  1  0.823777  0.760102  0.338552  1
  Fe  Fe86  1  0.490443  0.760102  0.338552  1
  Fe  Fe87  1  0.650229  0.699586  0.364272  1
  Fe  Fe88  1  0.157110  0.760102  0.338552  1
  Fe  Fe89  1  0.316896  0.699586  0.364272  1
  Fe  Fe90  1  0.657110  0.260102  0.338552  1
  Fe  Fe91  1  0.816896  0.199586  0.364272  1
  Fe  Fe92  1  0.983562  0.699586  0.364272  1
  Fe  Fe93  1  0.323777  0.260102  0.338552  1
  Fe  Fe94  1  0.483562  0.199586  0.364272  1
  Fe  Fe95  1  0.990443  0.260102  0.338552  1
  Fe  Fe96  1  0.150229  0.199586  0.364272  1
  Fe  Fe97  1  0.728056  0.694531  0.382272  1
  Fe  Fe98  1  0.394723  0.694531  0.382272  1
  Fe  Fe99  1  0.554096  0.632563  0.407276  1
  Fe  Fe100  1  0.061389  0.694531  0.382272  1
  Fe  Fe101  1  0.220763  0.632563  0.407276  1
  Fe  Fe102  1  0.561389  0.194531  0.382272  1
  Fe  Fe103  1  0.720763  0.132563  0.407276  1
  Fe  Fe104  1  0.887429  0.632563  0.407276  1
  Fe  Fe105  1  0.228056  0.194531  0.382272  1
  Fe  Fe106  1  0.387429  0.132563  0.407276  1
  Fe  Fe107  1  0.894723  0.194531  0.382272  1
  Fe  Fe108  1  0.054096  0.132563  0.407276  1
  Fe  Fe109  1  0.882585  0.825753  0.413689  1
  Fe  Fe110  1  0.549252  0.825753  0.413689  1
  Fe  Fe111  1  0.722901  0.887970  0.388402  1
  Fe  Fe112  1  0.215918  0.825753  0.413689  1
  Fe  Fe113  1  0.389567  0.887970  0.388402  1
  Fe  Fe114  1  0.715918  0.325753  0.413689  1
  Fe  Fe115  1  0.889567  0.387970  0.388402  1
  Fe  Fe116  1  0.056234  0.887970  0.388402  1
  Fe  Fe117  1  0.382585  0.325753  0.413689  1
  Fe  Fe118  1  0.556234  0.387970  0.388402  1
  Fe  Fe119  1  0.049252  0.325753  0.413689  1
  Fe  Fe120  1  0.222901  0.387970  0.388402  1
  Fe  Fe121  1  0.800964  0.883177  0.406914  1
  Fe  Fe122  1  0.467630  0.883177  0.406914  1
  Fe  Fe123  1  0.641595  0.942763  0.384293  1
  Fe  Fe124  1  0.134297  0.883177  0.406914  1
  Fe  Fe125  1  0.308262  0.942763  0.384293  1
  Fe  Fe126  1  0.634297  0.383177  0.406914  1
  Fe  Fe127  1  0.808262  0.442763  0.384293  1
  Fe  Fe128  1  0.974929  0.942763  0.384293  1
  Fe  Fe129  1  0.300964  0.383177  0.406914  1
  Fe  Fe130  1  0.474929  0.442763  0.384293  1
  Fe  Fe131  1  0.967630  0.383177  0.406914  1
  Fe  Fe132  1  0.141595  0.442763  0.384293  1
  Fe  Fe133  1  0.809452  0.639001  0.387897  1
  Fe  Fe134  1  0.476119  0.639001  0.387897  1
  Fe  Fe135  1  0.635737  0.574923  0.413791  1
  Fe  Fe136  1  0.142785  0.639001  0.387897  1
  Fe  Fe137  1  0.302404  0.574923  0.413791  1
  Fe  Fe138  1  0.642785  0.139001  0.387897  1
  Fe  Fe139  1  0.802404  0.074923  0.413791  1
  Fe  Fe140  1  0.969071  0.574923  0.413791  1
  Fe  Fe141  1  0.309452  0.139001  0.387897  1
  Fe  Fe142  1  0.469071  0.074923  0.413791  1
  Fe  Fe143  1  0.976119  0.139001  0.387897  1
  Fe  Fe144  1  0.135737  0.074923  0.413791  1
  Fe  Fe145  1  0.713732  0.570136  0.432852  1
  Fe  Fe146  1  0.380399  0.570136  0.432852  1
  Fe  Fe147  1  0.540036  0.508196  0.457434  1
  Fe  Fe148  1  0.047066  0.570136  0.432852  1
  Fe  Fe149  1  0.206702  0.508196  0.457434  1
  Fe  Fe150  1  0.547066  0.070136  0.432852  1
  Fe  Fe151  1  0.706702  0.008196  0.457434  1
  Fe  Fe152  1  0.873369  0.508196  0.457434  1
  Fe  Fe153  1  0.213732  0.070136  0.432852  1
  Fe  Fe154  1  0.373369  0.008196  0.457434  1
  Fe  Fe155  1  0.880399  0.070136  0.432852  1
  Fe  Fe156  1  0.040036  0.008196  0.457434  1
  Fe  Fe157  1  0.868494  0.702353  0.463202  1
  Fe  Fe158  1  0.535161  0.702353  0.463202  1
  Fe  Fe159  1  0.709103  0.764038  0.438452  1
  Fe  Fe160  1  0.201828  0.702353  0.463202  1
  Fe  Fe161  1  0.375769  0.764038  0.438452  1
  Fe  Fe162  1  0.701828  0.202353  0.463202  1
  Fe  Fe163  1  0.875769  0.264038  0.438452  1
  Fe  Fe164  1  0.042436  0.764038  0.438452  1
  Fe  Fe165  1  0.368494  0.202353  0.463202  1
  Fe  Fe166  1  0.542436  0.264038  0.438452  1
  Fe  Fe167  1  0.035161  0.202353  0.463202  1
  Fe  Fe168  1  0.209103  0.264038  0.438452  1
  Fe  Fe169  1  0.786991  0.759121  0.457052  1
  Fe  Fe170  1  0.453658  0.759121  0.457052  1
  Fe  Fe171  1  0.627428  0.821330  0.432383  1
  Fe  Fe172  1  0.120325  0.759121  0.457052  1
  Fe  Fe173  1  0.294095  0.821330  0.432383  1
  Fe  Fe174  1  0.620325  0.259121  0.457052  1
  Fe  Fe175  1  0.794095  0.321330  0.432383  1
  Fe  Fe176  1  0.960761  0.821330  0.432383  1
  Fe  Fe177  1  0.286991  0.259121  0.457052  1
  Fe  Fe178  1  0.460761  0.321330  0.432383  1
  Fe  Fe179  1  0.953658  0.259121  0.457052  1
  Fe  Fe180  1  0.127428  0.321330  0.432383  1
  Fe  Fe181  1  0.795300  0.512269  0.439307  1
  Fe  Fe182  1  0.461966  0.512269  0.439307  1
  Fe  Fe183  1  0.621562  0.451193  0.463707  1
  Fe  Fe184  1  0.128633  0.512269  0.439307  1
  Fe  Fe185  1  0.288229  0.451193  0.463707  1
  Fe  Fe186  1  0.628633  0.012269  0.439307  1
  Fe  Fe187  1  0.788229  0.951193  0.463707  1
  Fe  Fe188  1  0.954895  0.451193  0.463707  1
  Fe  Fe189  1  0.295300  0.012269  0.439307  1
  Fe  Fe190  1  0.454895  0.951193  0.463707  1
  Fe  Fe191  1  0.961966  0.012269  0.439307  1
  Fe  Fe192  1  0.121562  0.951193  0.463707  1
  Fe  Fe193  1  0.699499  0.446179  0.482583  1
  Fe  Fe194  1  0.366166  0.446179  0.482583  1
  Fe  Fe195  1  0.525876  0.383826  0.507752  1
  Fe  Fe196  1  0.032832  0.446179  0.482583  1
  Fe  Fe197  1  0.192543  0.383826  0.507752  1
  Fe  Fe198  1  0.532832  0.946179  0.482583  1
  Fe  Fe199  1  0.692543  0.883826  0.507752  1
  Fe  Fe200  1  0.859210  0.383826  0.507752  1
  Fe  Fe201  1  0.199499  0.946179  0.482583  1
  Fe  Fe202  1  0.359210  0.883826  0.507752  1
  Fe  Fe203  1  0.866166  0.946179  0.482583  1
  Fe  Fe204  1  0.025876  0.883826  0.507752  1
  Fe  Fe205  1  0.854447  0.577986  0.513308  1
  Fe  Fe206  1  0.521114  0.577986  0.513308  1
  Fe  Fe207  1  0.694736  0.640339  0.488139  1
  Fe  Fe208  1  0.187780  0.577986  0.513308  1
  Fe  Fe209  1  0.361403  0.640339  0.488139  1
  Fe  Fe210  1  0.687780  0.077986  0.513308  1
  Fe  Fe211  1  0.861403  0.140339  0.488139  1
  Fe  Fe212  1  0.028069  0.640339  0.488139  1
  Fe  Fe213  1  0.354447  0.077986  0.513308  1
  Fe  Fe214  1  0.528069  0.140339  0.488139  1
  Fe  Fe215  1  0.021114  0.077986  0.513308  1
  Fe  Fe216  1  0.194736  0.140339  0.488139  1
  Fe  Fe217  1  0.772843  0.635260  0.506997  1
  Fe  Fe218  1  0.439509  0.635260  0.506997  1
  Fe  Fe219  1  0.613139  0.697165  0.482087  1
  Fe  Fe220  1  0.106176  0.635260  0.506997  1
  Fe  Fe221  1  0.279806  0.697165  0.482087  1
  Fe  Fe222  1  0.606176  0.135260  0.506997  1
  Fe  Fe223  1  0.779806  0.197165  0.482087  1
  Fe  Fe224  1  0.946472  0.697165  0.482087  1
  Fe  Fe225  1  0.272843  0.135260  0.506997  1
  Fe  Fe226  1  0.446472  0.197165  0.482087  1
  Fe  Fe227  1  0.939509  0.135260  0.506997  1
  Fe  Fe228  1  0.113139  0.197165  0.482087  1
  Fe  Fe229  1  0.781103  0.388905  0.488893  1
  Fe  Fe230  1  0.447770  0.388905  0.488893  1
  Fe  Fe231  1  0.607474  0.327000  0.513803  1
  Fe  Fe232  1  0.114436  0.388905  0.488893  1
  Fe  Fe233  1  0.274140  0.327000  0.513803  1
  Fe  Fe234  1  0.614436  0.888905  0.488893  1
  Fe  Fe235  1  0.774140  0.827000  0.513803  1
  Fe  Fe236  1  0.940807  0.327000  0.513803  1
  Fe  Fe237  1  0.281103  0.888905  0.488893  1
  Fe  Fe238  1  0.440807  0.827000  0.513803  1
  Fe  Fe239  1  0.947770  0.888905  0.488893  1
  Fe  Fe240  1  0.107474  0.827000  0.513803  1
  Fe  Fe241  1  0.685452  0.321812  0.532689  1
  Fe  Fe242  1  0.352118  0.321812  0.532689  1
  Fe  Fe243  1  0.511510  0.260127  0.557439  1
  Fe  Fe244  1  0.018785  0.321812  0.532689  1
  Fe  Fe245  1  0.178176  0.260127  0.557439  1
  Fe  Fe246  1  0.518785  0.821812  0.532689  1
  Fe  Fe247  1  0.678176  0.760127  0.557439  1
  Fe  Fe248  1  0.844843  0.260127  0.557439  1
  Fe  Fe249  1  0.185452  0.821812  0.532689  1
  Fe  Fe250  1  0.344843  0.760127  0.557439  1
  Fe  Fe251  1  0.852118  0.821812  0.532689  1
  Fe  Fe252  1  0.011510  0.760127  0.557439  1
  Fe  Fe253  1  0.840214  0.454029  0.563039  1
  Fe  Fe254  1  0.506880  0.454029  0.563039  1
  Fe  Fe255  1  0.680577  0.515969  0.538456  1
  Fe  Fe256  1  0.173547  0.454029  0.563039  1
  Fe  Fe257  1  0.347244  0.515969  0.538456  1
  Fe  Fe258  1  0.673547  0.954029  0.563039  1
  Fe  Fe259  1  0.847244  0.015969  0.538456  1
  Fe  Fe260  1  0.013910  0.515969  0.538456  1
  Fe  Fe261  1  0.340214  0.954029  0.563039  1
  Fe  Fe262  1  0.513910  0.015969  0.538456  1
  Fe  Fe263  1  0.006880  0.954029  0.563039  1
  Fe  Fe264  1  0.180577  0.015969  0.538456  1
  Fe  Fe265  1  0.758646  0.511896  0.556583  1
  Fe  Fe266  1  0.425313  0.511896  0.556583  1
  Fe  Fe267  1  0.599051  0.572972  0.532184  1
  Fe  Fe268  1  0.091979  0.511896  0.556583  1
  Fe  Fe269  1  0.265717  0.572972  0.532184  1
  Fe  Fe270  1  0.591979  0.011896  0.556583  1
  Fe  Fe271  1  0.765717  0.072972  0.532184  1
  Fe  Fe272  1  0.932384  0.572972  0.532184  1
  Fe  Fe273  1  0.258646  0.011896  0.556583  1
  Fe  Fe274  1  0.432384  0.072972  0.532184  1
  Fe  Fe275  1  0.925313  0.011896  0.556583  1
  Fe  Fe276  1  0.099051  0.072972  0.532184  1
  Fe  Fe277  1  0.766954  0.265044  0.538839  1
  Fe  Fe278  1  0.433621  0.265044  0.538839  1
  Fe  Fe279  1  0.593184  0.202835  0.563508  1
  Fe  Fe280  1  0.100288  0.265044  0.538839  1
  Fe  Fe281  1  0.259851  0.202835  0.563508  1
  Fe  Fe282  1  0.600288  0.765044  0.538839  1
  Fe  Fe283  1  0.759851  0.702835  0.563508  1
  Fe  Fe284  1  0.926518  0.202835  0.563508  1
  Fe  Fe285  1  0.266954  0.765044  0.538839  1
  Fe  Fe286  1  0.426518  0.702835  0.563508  1
  Fe  Fe287  1  0.933621  0.765044  0.538839  1
  Fe  Fe288  1  0.093184  0.702835  0.563508  1
  Fe  Fe289  1  0.671361  0.198413  0.582202  1
  Fe  Fe290  1  0.338027  0.198413  0.582202  1
  Fe  Fe291  1  0.497712  0.136195  0.607489  1
  Fe  Fe292  1  0.004694  0.198413  0.582202  1
  Fe  Fe293  1  0.164379  0.136195  0.607489  1
  Fe  Fe294  1  0.504694  0.698413  0.582202  1
  Fe  Fe295  1  0.664379  0.636195  0.607489  1
  Fe  Fe296  1  0.831045  0.136195  0.607489  1
  Fe  Fe297  1  0.171361  0.698413  0.582202  1
  Fe  Fe298  1  0.331045  0.636195  0.607489  1
  Fe  Fe299  1  0.838027  0.698413  0.582202  1
  Fe  Fe300  1  0.997712  0.636195  0.607489  1
  Fe  Fe301  1  0.825890  0.329634  0.613618  1
  Fe  Fe302  1  0.492556  0.329634  0.613618  1
  Fe  Fe303  1  0.666516  0.391602  0.588614  1
  Fe  Fe304  1  0.159223  0.329634  0.613618  1
  Fe  Fe305  1  0.333183  0.391602  0.588614  1
  Fe  Fe306  1  0.659223  0.829634  0.613618  1
  Fe  Fe307  1  0.833183  0.891602  0.588614  1
  Fe  Fe308  1  0.999850  0.391602  0.588614  1
  Fe  Fe309  1  0.325890  0.829634  0.613618  1
  Fe  Fe310  1  0.499850  0.891602  0.588614  1
  Fe  Fe311  1  0.992556  0.829634  0.613618  1
  Fe  Fe312  1  0.166516  0.891602  0.588614  1
  Fe  Fe313  1  0.744494  0.385164  0.607993  1
  Fe  Fe314  1  0.411161  0.385164  0.607993  1
  Fe  Fe315  1  0.584875  0.449242  0.582100  1
  Fe  Fe316  1  0.077827  0.385164  0.607993  1
  Fe  Fe317  1  0.251542  0.449242  0.582100  1
  Fe  Fe318  1  0.577827  0.885164  0.607993  1
  Fe  Fe319  1  0.751542  0.949242  0.582100  1
  Fe  Fe320  1  0.918208  0.449242  0.582100  1
  Fe  Fe321  1  0.244494  0.885164  0.607993  1
  Fe  Fe322  1  0.418208  0.949242  0.582100  1
  Fe  Fe323  1  0.911161  0.885164  0.607993  1
  Fe  Fe324  1  0.084875  0.949242  0.582100  1
  Fe  Fe325  1  0.752982  0.140988  0.588977  1
  Fe  Fe326  1  0.419649  0.140988  0.588977  1
  Fe  Fe327  1  0.579017  0.081402  0.611597  1
  Fe  Fe328  1  0.086315  0.140988  0.588977  1
  Fe  Fe329  1  0.245684  0.081402  0.611597  1
  Fe  Fe330  1  0.586315  0.640988  0.588977  1
  Fe  Fe331  1  0.745684  0.581402  0.611597  1
  Fe  Fe332  1  0.912350  0.081402  0.611597  1
  Fe  Fe333  1  0.252982  0.640988  0.588977  1
  Fe  Fe334  1  0.412350  0.581402  0.611597  1
  Fe  Fe335  1  0.919649  0.640988  0.588977  1
  Fe  Fe336  1  0.079017  0.581402  0.611597  1
  Fe  Fe337  1  0.656913  0.072247  0.632346  1
  Fe  Fe338  1  0.323579  0.072247  0.632346  1
  Fe  Fe339  1  0.483629  0.008890  0.658945  1
  Fe  Fe340  1  0.990246  0.072247  0.632346  1
  Fe  Fe341  1  0.150296  0.008890  0.658945  1
  Fe  Fe342  1  0.490246  0.572247  0.632346  1
  Fe  Fe343  1  0.650296  0.508890  0.658945  1
  Fe  Fe344  1  0.816963  0.008890  0.658945  1
  Fe  Fe345  1  0.156913  0.572247  0.632346  1
  Fe  Fe346  1  0.316963  0.508890  0.658945  1
  Fe  Fe347  1  0.823579  0.572247  0.632346  1
  Fe  Fe348  1  0.983629  0.508890  0.658945  1
  Fe  Fe349  1  0.813324  0.202431  0.664614  1
  Fe  Fe350  1  0.479991  0.202431  0.664614  1
  Fe  Fe351  1  0.652268  0.266579  0.637975  1
  Fe  Fe352  1  0.146658  0.202431  0.664614  1
  Fe  Fe353  1  0.318935  0.266579  0.637975  1
  Fe  Fe354  1  0.646658  0.702431  0.664614  1
  Fe  Fe355  1  0.818935  0.766579  0.637975  1
  Fe  Fe356  1  0.985601  0.266579  0.637975  1
  Fe  Fe357  1  0.313324  0.702431  0.664614  1
  Fe  Fe358  1  0.485601  0.766579  0.637975  1
  Fe  Fe359  1  0.979991  0.702431  0.664614  1
  Fe  Fe360  1  0.152268  0.766579  0.637975  1
  Fe  Fe361  1  0.730169  0.264063  0.657339  1
  Fe  Fe362  1  0.396836  0.264063  0.657339  1
  Fe  Fe363  1  0.570384  0.324579  0.631619  1
  Fe  Fe364  1  0.063503  0.264063  0.657339  1
  Fe  Fe365  1  0.237050  0.324579  0.631619  1
  Fe  Fe366  1  0.563503  0.764063  0.657339  1
  Fe  Fe367  1  0.737050  0.824579  0.631619  1
  Fe  Fe368  1  0.903717  0.324579  0.631619  1
  Fe  Fe369  1  0.230169  0.764063  0.657339  1
  Fe  Fe370  1  0.403717  0.824579  0.631619  1
  Fe  Fe371  1  0.896836  0.764063  0.657339  1
  Fe  Fe372  1  0.070384  0.824579  0.631619  1
  Fe  Fe373  1  0.737704  0.015862  0.638850  1
  Fe  Fe374  1  0.404371  0.015862  0.638850  1
  Fe  Fe375  1  0.563800  0.949195  0.666688  1
  Fe  Fe376  1  0.071037  0.015862  0.638850  1
  Fe  Fe377  1  0.230466  0.949195  0.666688  1
  Fe  Fe378  1  0.571037  0.515862  0.638850  1
  Fe  Fe379  1  0.730466  0.449195  0.666688  1
  Fe  Fe380  1  0.897133  0.949195  0.666688  1
  Fe  Fe381  1  0.237704  0.515862  0.638850  1
  Fe  Fe382  1  0.397133  0.449195  0.666688  1
  Fe  Fe383  1  0.904371  0.515862  0.638850  1
  Fe  Fe384  1  0.063800  0.449195  0.666688  1
  Fe  Fe385  1  0.642383  0.949917  0.678472  1
  Fe  Fe386  1  0.309050  0.949917  0.678472  1
  Fe  Fe387  1  0.466459  0.891018  0.703383  1
  Fe  Fe388  1  0.975717  0.949917  0.678472  1
  Fe  Fe389  1  0.133126  0.891018  0.703383  1
  Fe  Fe390  1  0.475717  0.449917  0.678472  1
  Fe  Fe391  1  0.633126  0.391018  0.703383  1
  Fe  Fe392  1  0.799793  0.891018  0.703383  1
  Fe  Fe393  1  0.142383  0.449917  0.678472  1
  Fe  Fe394  1  0.299793  0.391018  0.703383  1
  Fe  Fe395  1  0.809050  0.449917  0.678472  1
  Fe  Fe396  1  0.966459  0.391018  0.703383  1
  Fe  Fe397  1  0.796081  0.083009  0.709682  1
  Fe  Fe398  1  0.462748  0.083009  0.709682  1
  Fe  Fe399  1  0.636515  0.147070  0.685914  1
  Fe  Fe400  1  0.129415  0.083009  0.709682  1
  Fe  Fe401  1  0.303181  0.147070  0.685914  1
  Fe  Fe402  1  0.629415  0.583009  0.709682  1
  Fe  Fe403  1  0.803181  0.647070  0.685914  1
  Fe  Fe404  1  0.969848  0.147070  0.685914  1
  Fe  Fe405  1  0.296081  0.583009  0.709682  1
  Fe  Fe406  1  0.469848  0.647070  0.685914  1
  Fe  Fe407  1  0.962748  0.583009  0.709682  1
  Fe  Fe408  1  0.136515  0.647070  0.685914  1
  Fe  Fe409  1  0.717816  0.140635  0.703813  1
  Fe  Fe410  1  0.384482  0.140635  0.703813  1
  Fe  Fe411  1  0.558373  0.197141  0.679202  1
  Fe  Fe412  1  0.051149  0.140635  0.703813  1
  Fe  Fe413  1  0.225040  0.197141  0.679202  1
  Fe  Fe414  1  0.551149  0.640635  0.703813  1
  Fe  Fe415  1  0.725040  0.697141  0.679202  1
  Fe  Fe416  1  0.891707  0.197141  0.679202  1
  Fe  Fe417  1  0.217816  0.640635  0.703813  1
  Fe  Fe418  1  0.391707  0.697141  0.679202  1
  Fe  Fe419  1  0.884482  0.640635  0.703813  1
  Fe  Fe420  1  0.058373  0.697141  0.679202  1
  Fe  Fe421  1  0.724797  0.894127  0.687041  1
  Fe  Fe422  1  0.391463  0.894127  0.687041  1
  Fe  Fe423  1  0.548148  0.825524  0.710074  1
  Fe  Fe424  1  0.058130  0.894127  0.687041  1
  Fe  Fe425  1  0.214815  0.825524  0.710074  1
  Fe  Fe426  1  0.558130  0.394127  0.687041  1
  Fe  Fe427  1  0.714815  0.325524  0.710074  1
  Fe  Fe428  1  0.881481  0.825524  0.710074  1
  Fe  Fe429  1  0.224797  0.394127  0.687041  1
  Fe  Fe430  1  0.381481  0.325524  0.710074  1
  Fe  Fe431  1  0.891463  0.394127  0.687041  1
  Fe  Fe432  1  0.048148  0.325524  0.710074  1
  P  P433  1  0.795740  0.254139  0.282449  1
  P  P434  1  0.462406  0.254139  0.282449  1
  P  P435  1  0.617056  0.193611  0.306276  1
  P  P436  1  0.129073  0.254139  0.282449  1
  P  P437  1  0.283723  0.193611  0.306276  1
  P  P438  1  0.629073  0.754139  0.282449  1
  P  P439  1  0.783723  0.693611  0.306276  1
  P  P440  1  0.950389  0.193611  0.306276  1
  P  P441  1  0.295740  0.754139  0.282449  1
  P  P442  1  0.450389  0.693611  0.306276  1
  P  P443  1  0.962406  0.754139  0.282449  1
  P  P444  1  0.117056  0.693611  0.306276  1
  P  P445  1  0.878535  0.770119  0.309076  1
  P  P446  1  0.545202  0.770119  0.309076  1
  P  P447  1  0.713207  0.836947  0.282576  1
  P  P448  1  0.211869  0.770119  0.309076  1
  P  P449  1  0.379874  0.836947  0.282576  1
  P  P450  1  0.711869  0.270119  0.309076  1
  P  P451  1  0.879874  0.336947  0.282576  1
  P  P452  1  0.046541  0.836947  0.282576  1
  P  P453  1  0.378535  0.270119  0.309076  1
  P  P454  1  0.546541  0.336947  0.282576  1
  P  P455  1  0.045202  0.270119  0.309076  1
  P  P456  1  0.213207  0.336947  0.282576  1
  P  P457  1  0.803809  0.030004  0.270713  1
  P  P458  1  0.470476  0.030004  0.270713  1
  P  P459  1  0.626738  0.973787  0.294548  1
  P  P460  1  0.137143  0.030004  0.270713  1
  P  P461  1  0.293404  0.973787  0.294548  1
  P  P462  1  0.637143  0.530004  0.270713  1
  P  P463  1  0.793404  0.473787  0.294548  1
  P  P464  1  0.960071  0.973787  0.294548  1
  P  P465  1  0.303809  0.530004  0.270713  1
  P  P466  1  0.460071  0.473787  0.294548  1
  P  P467  1  0.970476  0.530004  0.270713  1
  P  P468  1  0.126738  0.473787  0.294548  1
  P  P469  1  0.866301  0.989722  0.319688  1
  P  P470  1  0.532968  0.989722  0.319688  1
  P  P471  1  0.705738  0.054369  0.291701  1
  P  P472  1  0.199635  0.989722  0.319688  1
  P  P473  1  0.372405  0.054369  0.291701  1
  P  P474  1  0.699635  0.489722  0.319688  1
  P  P475  1  0.872405  0.554369  0.291701  1
  P  P476  1  0.039071  0.054369  0.291701  1
  P  P477  1  0.366301  0.489722  0.319688  1
  P  P478  1  0.539071  0.554369  0.291701  1
  P  P479  1  0.032968  0.489722  0.319688  1
  P  P480  1  0.205738  0.554369  0.291701  1
  P  P481  1  0.779018  0.128188  0.336067  1
  P  P482  1  0.445685  0.128188  0.336067  1
  P  P483  1  0.606427  0.064925  0.360084  1
  P  P484  1  0.112351  0.128188  0.336067  1
  P  P485  1  0.273093  0.064925  0.360084  1
  P  P486  1  0.612351  0.628188  0.336067  1
  P  P487  1  0.773093  0.564925  0.360084  1
  P  P488  1  0.939760  0.064925  0.360084  1
  P  P489  1  0.279018  0.628188  0.336067  1
  P  P490  1  0.439760  0.564925  0.360084  1
  P  P491  1  0.945685  0.628188  0.336067  1
  P  P492  1  0.106427  0.564925  0.360084  1
  P  P493  1  0.860904  0.642991  0.359703  1
  P  P494  1  0.527571  0.642991  0.359703  1
  P  P495  1  0.701421  0.706273  0.334662  1
  P  P496  1  0.194238  0.642991  0.359703  1
  P  P497  1  0.368088  0.706273  0.334662  1
  P  P498  1  0.694238  0.142991  0.359703  1
  P  P499  1  0.868088  0.206273  0.334662  1
  P  P500  1  0.034754  0.706273  0.334662  1
  P  P501  1  0.360904  0.142991  0.359703  1
  P  P502  1  0.534754  0.206273  0.334662  1
  P  P503  1  0.027571  0.142991  0.359703  1
  P  P504  1  0.201421  0.206273  0.334662  1
  P  P505  1  0.788717  0.906042  0.325003  1
  P  P506  1  0.455384  0.906042  0.325003  1
  P  P507  1  0.614656  0.845245  0.349666  1
  P  P508  1  0.122051  0.906042  0.325003  1
  P  P509  1  0.281322  0.845245  0.349666  1
  P  P510  1  0.622051  0.406042  0.325003  1
  P  P511  1  0.781322  0.345245  0.349666  1
  P  P512  1  0.947989  0.845245  0.349666  1
  P  P513  1  0.288717  0.406042  0.325003  1
  P  P514  1  0.447989  0.345245  0.349666  1
  P  P515  1  0.955384  0.406042  0.325003  1
  P  P516  1  0.114656  0.345245  0.349666  1
  P  P517  1  0.851699  0.864087  0.371797  1
  P  P518  1  0.518366  0.864087  0.371797  1
  P  P519  1  0.690852  0.930642  0.346277  1
  P  P520  1  0.185033  0.864087  0.371797  1
  P  P521  1  0.357518  0.930642  0.346277  1
  P  P522  1  0.685033  0.364087  0.371797  1
  P  P523  1  0.857518  0.430642  0.346277  1
  P  P524  1  0.024185  0.930642  0.346277  1
  P  P525  1  0.351699  0.364087  0.371797  1
  P  P526  1  0.524185  0.430642  0.346277  1
  P  P527  1  0.018366  0.364087  0.371797  1
  P  P528  1  0.190852  0.430642  0.346277  1
  P  P529  1  0.763930  0.002761  0.385127  1
  P  P530  1  0.430597  0.002761  0.385127  1
  P  P531  1  0.589998  0.941250  0.410773  1
  P  P532  1  0.097264  0.002761  0.385127  1
  P  P533  1  0.256665  0.941250  0.410773  1
  P  P534  1  0.597264  0.502761  0.385127  1
  P  P535  1  0.756665  0.441250  0.410773  1
  P  P536  1  0.923332  0.941250  0.410773  1
  P  P537  1  0.263930  0.502761  0.385127  1
  P  P538  1  0.423332  0.441250  0.410773  1
  P  P539  1  0.930597  0.502761  0.385127  1
  P  P540  1  0.089998  0.441250  0.410773  1
  P  P541  1  0.846369  0.518989  0.410129  1
  P  P542  1  0.513036  0.518989  0.410129  1
  P  P543  1  0.687446  0.580212  0.385382  1
  P  P544  1  0.179702  0.518989  0.410129  1
  P  P545  1  0.354112  0.580212  0.385382  1
  P  P546  1  0.679702  0.018989  0.410129  1
  P  P547  1  0.854112  0.080212  0.385382  1
  P  P548  1  0.020779  0.580212  0.385382  1
  P  P549  1  0.346369  0.018989  0.410129  1
  P  P550  1  0.520779  0.080212  0.385382  1
  P  P551  1  0.013036  0.018989  0.410129  1
  P  P552  1  0.187446  0.080212  0.385382  1
  P  P553  1  0.773069  0.781488  0.372858  1
  P  P554  1  0.439736  0.781488  0.372858  1
  P  P555  1  0.599831  0.719644  0.398995  1
  P  P556  1  0.106402  0.781488  0.372858  1
  P  P557  1  0.266497  0.719644  0.398995  1
  P  P558  1  0.606402  0.281488  0.372858  1
  P  P559  1  0.766497  0.219644  0.398995  1
  P  P560  1  0.933164  0.719644  0.398995  1
  P  P561  1  0.273069  0.281488  0.372858  1
  P  P562  1  0.433164  0.219644  0.398995  1
  P  P563  1  0.939736  0.281488  0.372858  1
  P  P564  1  0.099831  0.219644  0.398995  1
  P  P565  1  0.836847  0.739373  0.421680  1
  P  P566  1  0.503514  0.739373  0.421680  1
  P  P567  1  0.678165  0.800725  0.397127  1
  P  P568  1  0.170180  0.739373  0.421680  1
  P  P569  1  0.344831  0.800725  0.397127  1
  P  P570  1  0.670180  0.239373  0.421680  1
  P  P571  1  0.844831  0.300725  0.397127  1
  P  P572  1  0.011498  0.800725  0.397127  1
  P  P573  1  0.336847  0.239373  0.421680  1
  P  P574  1  0.511498  0.300725  0.397127  1
  P  P575  1  0.003514  0.239373  0.421680  1
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