# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.08530456
_cell_length_b   13.08787360
_cell_length_c   48.34732252
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe288
_cell_volume   7878.21299579
_cell_formula_units_Z   288
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  0.697571  0.042452  0.289932  1
  Fe  Fe2  1  0.029431  0.710419  0.290066  1
  Fe  Fe3  1  0.965565  0.982048  0.319828  1
  Fe  Fe4  1  0.329966  0.012567  0.303090  1
  Fe  Fe5  1  0.663604  0.678784  0.303103  1
  Fe  Fe6  1  0.997353  0.346344  0.303474  1
  Fe  Fe7  1  0.365673  0.374589  0.290166  1
  Fe  Fe8  1  0.299379  0.648966  0.319804  1
  Fe  Fe9  1  0.632315  0.315144  0.319833  1
  Fe  Fe10  1  0.799029  0.148579  0.319877  1
  Fe  Fe11  1  0.132036  0.814888  0.319835  1
  Fe  Fe12  1  0.163304  0.180949  0.303163  1
  Fe  Fe13  1  0.531032  0.209005  0.289946  1
  Fe  Fe14  1  0.864033  0.875884  0.289908  1
  Fe  Fe15  1  0.109300  0.453450  0.340536  1
  Fe  Fe16  1  0.465087  0.481640  0.319858  1
  Fe  Fe17  1  0.496700  0.845570  0.303081  1
  Fe  Fe18  1  0.831649  0.512182  0.303183  1
  Fe  Fe19  1  0.623972  0.133983  0.333453  1
  Fe  Fe20  1  0.956769  0.801096  0.333461  1
  Fe  Fe21  1  0.979982  0.164643  0.310470  1
  Fe  Fe22  1  0.347284  0.193500  0.296304  1
  Fe  Fe23  1  0.680618  0.859906  0.296189  1
  Fe  Fe24  1  0.017540  0.526960  0.296920  1
  Fe  Fe25  1  0.287783  0.468815  0.332544  1
  Fe  Fe26  1  0.312948  0.831242  0.310358  1
  Fe  Fe27  1  0.646765  0.497504  0.310380  1
  Fe  Fe28  1  0.790512  0.967439  0.333436  1
  Fe  Fe29  1  0.125305  0.631309  0.332387  1
  Fe  Fe30  1  0.146377  0.998188  0.310351  1
  Fe  Fe31  1  0.513986  0.026609  0.296199  1
  Fe  Fe32  1  0.847384  0.693177  0.296292  1
  Fe  Fe33  1  0.180984  0.364161  0.296943  1
  Fe  Fe34  1  0.457538  0.300295  0.333527  1
  Fe  Fe35  1  0.480064  0.664062  0.310371  1
  Fe  Fe36  1  0.813378  0.331118  0.310479  1
  Fe  Fe37  1  0.611251  0.955128  0.339029  1
  Fe  Fe38  1  0.944413  0.622184  0.339267  1
  Fe  Fe39  1  0.899717  0.900903  0.375387  1
  Fe  Fe40  1  0.248028  0.935925  0.352634  1
  Fe  Fe41  1  0.581237  0.602512  0.352668  1
  Fe  Fe42  1  0.914669  0.269227  0.352786  1
  Fe  Fe43  1  0.278201  0.288407  0.339281  1
  Fe  Fe44  1  0.232492  0.567384  0.375211  1
  Fe  Fe45  1  0.566444  0.234178  0.375416  1
  Fe  Fe46  1  0.733089  0.067503  0.375381  1
  Fe  Fe47  1  0.067050  0.733303  0.374907  1
  Fe  Fe48  1  0.081600  0.102176  0.352717  1
  Fe  Fe49  1  0.444744  0.121629  0.339075  1
  Fe  Fe50  1  0.777688  0.788634  0.339057  1
  Fe  Fe51  1  0.022504  0.373721  0.389541  1
  Fe  Fe52  1  0.398449  0.401939  0.374972  1
  Fe  Fe53  1  0.414768  0.769229  0.352624  1
  Fe  Fe54  1  0.747479  0.436110  0.352728  1
  Fe  Fe55  1  0.547308  0.049928  0.381507  1
  Fe  Fe56  1  0.880266  0.717145  0.381529  1
  Fe  Fe57  1  0.902110  0.090882  0.361964  1
  Fe  Fe58  1  0.262402  0.111787  0.345972  1
  Fe  Fe59  1  0.595635  0.778357  0.345956  1
  Fe  Fe60  1  0.927834  0.445336  0.346325  1
  Fe  Fe61  1  0.214726  0.382766  0.381825  1
  Fe  Fe62  1  0.235451  0.757334  0.361816  1
  Fe  Fe63  1  0.568248  0.424242  0.361903  1
  Fe  Fe64  1  0.713724  0.883490  0.381502  1
  Fe  Fe65  1  0.046344  0.551083  0.381851  1
  Fe  Fe66  1  0.068743  0.924006  0.361881  1
  Fe  Fe67  1  0.428998  0.945037  0.345953  1
  Fe  Fe68  1  0.762223  0.611784  0.346008  1
  Fe  Fe69  1  0.095786  0.277502  0.346317  1
  Fe  Fe70  1  0.380934  0.216627  0.381563  1
  Fe  Fe71  1  0.401593  0.590921  0.361854  1
  Fe  Fe72  1  0.735316  0.257635  0.361950  1
  Fe  Fe73  1  0.522759  0.873695  0.389216  1
  Fe  Fe74  1  0.855674  0.540971  0.389408  1
  Fe  Fe75  1  0.800566  0.737754  0.427593  1
  Fe  Fe76  1  0.109731  0.859221  0.408669  1
  Fe  Fe77  1  0.442983  0.526359  0.408714  1
  Fe  Fe78  1  0.776368  0.193140  0.408795  1
  Fe  Fe79  1  0.189880  0.206535  0.389390  1
  Fe  Fe80  1  0.134028  0.404461  0.427682  1
  Fe  Fe81  1  0.467370  0.070987  0.427572  1
  Fe  Fe82  1  0.633902  0.904331  0.427571  1
  Fe  Fe83  1  0.967115  0.571134  0.427742  1
  Fe  Fe84  1  0.943087  0.026244  0.408807  1
  Fe  Fe85  1  0.356219  0.040308  0.389231  1
  Fe  Fe86  1  0.689297  0.707217  0.389247  1
  Fe  Fe87  1  0.888776  0.228918  0.444218  1
  Fe  Fe88  1  0.300909  0.237573  0.427648  1
  Fe  Fe89  1  0.276390  0.692903  0.408704  1
  Fe  Fe90  1  0.609636  0.359920  0.408765  1
  Fe  Fe91  1  0.440064  0.888603  0.434517  1
  Fe  Fe92  1  0.773066  0.555514  0.434602  1
  Fe  Fe93  1  0.796115  0.959351  0.419489  1
  Fe  Fe94  1  0.153360  0.031953  0.398124  1
  Fe  Fe95  1  0.486561  0.698927  0.398030  1
  Fe  Fe96  1  0.820124  0.365811  0.398043  1
  Fe  Fe97  1  0.106860  0.221886  0.434616  1
  Fe  Fe98  1  0.129669  0.626135  0.419552  1
  Fe  Fe99  1  0.462549  0.293316  0.419447  1
  Fe  Fe100  1  0.606558  0.722063  0.434532  1
  Fe  Fe101  1  0.939781  0.388771  0.434662  1
  Fe  Fe102  1  0.963274  0.792171  0.419365  1
  Fe  Fe103  1  0.319982  0.865545  0.398017  1
  Fe  Fe104  1  0.653249  0.532381  0.398062  1
  Fe  Fe105  1  0.986950  0.198764  0.398094  1
  Fe  Fe106  1  0.273660  0.055114  0.434568  1
  Fe  Fe107  1  0.296256  0.459722  0.419553  1
  Fe  Fe108  1  0.629398  0.126204  0.419501  1
  Fe  Fe109  1  0.388616  0.728962  0.444201  1
  Fe  Fe110  1  0.722018  0.395676  0.444226  1
  Fe  Fe111  1  0.677268  0.589917  0.480007  1
  Fe  Fe112  1  0.993432  0.696641  0.463135  1
  Fe  Fe113  1  0.326914  0.363142  0.463134  1
  Fe  Fe114  1  0.660187  0.029675  0.463091  1
  Fe  Fe115  1  0.055470  0.062158  0.444225  1
  Fe  Fe116  1  0.010774  0.256485  0.479994  1
  Fe  Fe117  1  0.344054  0.923131  0.479959  1
  Fe  Fe118  1  0.510651  0.756540  0.479973  1
  Fe  Fe119  1  0.843966  0.423230  0.480030  1
  Fe  Fe120  1  0.826832  0.863022  0.463072  1
  Fe  Fe121  1  0.222019  0.895501  0.444169  1
  Fe  Fe122  1  0.555230  0.562362  0.444225  1
  Fe  Fe123  1  0.736488  0.108077  0.501384  1
  Fe  Fe124  1  0.177501  0.089766  0.479974  1
  Fe  Fe125  1  0.160191  0.529894  0.463162  1
  Fe  Fe126  1  0.493562  0.196458  0.463070  1
  Fe  Fe127  1  0.286728  0.767055  0.489321  1
  Fe  Fe128  1  0.620057  0.433644  0.489305  1
  Fe  Fe129  1  0.674463  0.807792  0.473045  1
  Fe  Fe130  1  0.994012  0.909107  0.454808  1
  Fe  Fe131  1  0.327381  0.576036  0.454932  1
  Fe  Fe132  1  0.660619  0.242692  0.454852  1
  Fe  Fe133  1  0.953361  0.100287  0.489235  1
  Fe  Fe134  1  0.007964  0.474441  0.473113  1
  Fe  Fe135  1  0.341311  0.141053  0.473080  1
  Fe  Fe136  1  0.453382  0.600396  0.489339  1
  Fe  Fe137  1  0.786716  0.266924  0.489251  1
  Fe  Fe138  1  0.841156  0.641183  0.473074  1
  Fe  Fe139  1  0.160727  0.742608  0.454900  1
  Fe  Fe140  1  0.494027  0.409346  0.454901  1
  Fe  Fe141  1  0.827314  0.075916  0.454839  1
  Fe  Fe142  1  0.120079  0.933637  0.489237  1
  Fe  Fe143  1  0.174678  0.307751  0.473089  1
  Fe  Fe144  1  0.507802  0.974440  0.473037  1
  Fe  Fe145  1  0.236549  0.608195  0.501479  1
  Fe  Fe146  1  0.569870  0.274750  0.501425  1
  Fe  Fe147  1  0.532999  0.462064  0.535690  1
  Fe  Fe148  1  0.873557  0.541135  0.516058  1
  Fe  Fe149  1  0.207054  0.207594  0.516061  1
  Fe  Fe150  1  0.540151  0.874298  0.516073  1
  Fe  Fe151  1  0.903080  0.941427  0.501354  1
  Fe  Fe152  1  0.866401  0.128574  0.535623  1
  Fe  Fe153  1  0.199498  0.795490  0.535706  1
  Fe  Fe154  1  0.366238  0.628749  0.535741  1
  Fe  Fe155  1  0.699877  0.295118  0.535640  1
  Fe  Fe156  1  0.706784  0.707771  0.516074  1
  Fe  Fe157  1  0.069851  0.774855  0.501439  1
  Fe  Fe158  1  0.403220  0.441472  0.501464  1
  Fe  Fe159  1  0.611385  0.952941  0.554927  1
  Fe  Fe160  1  0.032804  0.962242  0.535551  1
  Fe  Fe161  1  0.040339  0.374368  0.516052  1
  Fe  Fe162  1  0.373635  0.040845  0.516084  1
  Fe  Fe163  1  0.146962  0.626909  0.546698  1
  Fe  Fe164  1  0.480557  0.293148  0.546667  1
  Fe  Fe165  1  0.558963  0.644388  0.525085  1
  Fe  Fe166  1  0.867006  0.765209  0.508936  1
  Fe  Fe167  1  0.200659  0.431779  0.508941  1
  Fe  Fe168  1  0.533813  0.098380  0.508920  1
  Fe  Fe169  1  0.813648  0.960144  0.546608  1
  Fe  Fe170  1  0.892406  0.310995  0.524940  1
  Fe  Fe171  1  0.225718  0.977522  0.525026  1
  Fe  Fe172  1  0.313790  0.460059  0.546705  1
  Fe  Fe173  1  0.647174  0.126496  0.546630  1
  Fe  Fe174  1  0.725652  0.477779  0.525013  1
  Fe  Fe175  1  0.033843  0.598562  0.508941  1
  Fe  Fe176  1  0.367308  0.265035  0.508934  1
  Fe  Fe177  1  0.700344  0.931775  0.508926  1
  Fe  Fe178  1  0.980158  0.793650  0.546639  1
  Fe  Fe179  1  0.059098  0.144315  0.524933  1
  Fe  Fe180  1  0.392338  0.810895  0.525089  1
  Fe  Fe181  1  0.111685  0.453204  0.554841  1
  Fe  Fe182  1  0.445039  0.119457  0.554913  1
  Fe  Fe183  1  0.392628  0.384159  0.591002  1
  Fe  Fe184  1  0.748525  0.410723  0.571080  1
  Fe  Fe185  1  0.081292  0.077859  0.571051  1
  Fe  Fe186  1  0.414843  0.744218  0.571267  1
  Fe  Fe187  1  0.777909  0.786618  0.554916  1
  Fe  Fe188  1  0.725297  0.050926  0.591033  1
  Fe  Fe189  1  0.058532  0.718230  0.590999  1
  Fe  Fe190  1  0.225744  0.551339  0.591023  1
  Fe  Fe191  1  0.559078  0.217164  0.591021  1
  Fe  Fe192  1  0.581631  0.577524  0.571219  1
  Fe  Fe193  1  0.944775  0.620012  0.554871  1
  Fe  Fe194  1  0.278453  0.286315  0.554869  1
  Fe  Fe195  1  0.529538  0.863684  0.604476  1
  Fe  Fe196  1  0.891514  0.884720  0.591022  1
  Fe  Fe197  1  0.914868  0.244282  0.571047  1
  Fe  Fe198  1  0.248198  0.910981  0.571214  1
  Fe  Fe199  1  0.043943  0.543213  0.597546  1
  Fe  Fe200  1  0.377139  0.209416  0.597629  1
  Fe  Fe201  1  0.406935  0.560621  0.582088  1
  Fe  Fe202  1  0.757658  0.601199  0.561054  1
  Fe  Fe203  1  0.091143  0.267797  0.560948  1
  Fe  Fe204  1  0.424397  0.934148  0.561150  1
  Fe  Fe205  1  0.709751  0.876210  0.597718  1
  Fe  Fe206  1  0.740227  0.227101  0.582045  1
  Fe  Fe207  1  0.072475  0.894729  0.581867  1
  Fe  Fe208  1  0.210605  0.376547  0.597548  1
  Fe  Fe209  1  0.543532  0.042433  0.597713  1
  Fe  Fe210  1  0.574084  0.393151  0.581889  1
  Fe  Fe211  1  0.924560  0.434466  0.560944  1
  Fe  Fe212  1  0.257816  0.100956  0.561036  1
  Fe  Fe213  1  0.590834  0.767731  0.561162  1
  Fe  Fe214  1  0.876756  0.709792  0.597633  1
  Fe  Fe215  1  0.906421  0.060906  0.582044  1
  Fe  Fe216  1  0.239903  0.727642  0.582086  1
  Fe  Fe217  1  0.030209  0.364351  0.604090  1
  Fe  Fe218  1  0.363250  0.030606  0.604299  1
  Fe  Fe219  1  0.313110  0.310261  0.640519  1
  Fe  Fe220  1  0.675063  0.334422  0.624121  1
  Fe  Fe221  1  0.007284  1.002180  0.624115  1
  Fe  Fe222  1  0.341142  0.668229  0.624081  1
  Fe  Fe223  1  0.696441  0.697418  0.604307  1
  Fe  Fe224  1  0.645893  0.976248  0.640684  1
  Fe  Fe225  1  0.979949  0.643419  0.640516  1
  Fe  Fe226  1  0.146817  0.477119  0.640512  1
  Fe  Fe227  1  0.479659  0.142661  0.640608  1
  Fe  Fe228  1  0.509440  0.499741  0.623738  1
  Fe  Fe229  1  0.863724  0.530726  0.604116  1
  Fe  Fe230  1  0.196569  0.197864  0.604114  1
  Fe  Fe231  1  0.453583  0.783668  0.656143  1
  Fe  Fe232  1  0.812326  0.810006  0.640611  1
  Fe  Fe233  1  0.841169  0.168306  0.624153  1
  Fe  Fe234  1  0.172572  0.836578  0.623711  1
  Fe  Fe235  1  0.967138  0.464501  0.647483  1
  Fe  Fe236  1  0.299496  0.131780  0.647524  1
  Fe  Fe237  1  0.328209  0.488951  0.633248  1
  Fe  Fe238  1  0.686091  0.515260  0.612995  1
  Fe  Fe239  1  0.018608  0.182607  0.612941  1
  Fe  Fe240  1  0.352203  0.848798  0.613319  1
  Fe  Fe241  1  0.632102  0.797429  0.647814  1
  Fe  Fe242  1  0.661101  0.155247  0.633276  1
  Fe  Fe243  1  0.993562  0.822828  0.633231  1
  Fe  Fe244  1  0.133294  0.298342  0.647483  1
  Fe  Fe245  1  0.466202  0.963305  0.647810  1
  Fe  Fe246  1  0.494858  0.321549  0.633238  1
  Fe  Fe247  1  0.852380  0.348856  0.612949  1
  Fe  Fe248  1  0.184981  0.016344  0.612982  1
  Fe  Fe249  1  0.518580  0.682423  0.613321  1
  Fe  Fe250  1  0.800569  0.630717  0.647524  1
  Fe  Fe251  1  0.827258  0.989088  0.633277  1
  Fe  Fe252  1  0.161000  0.656158  0.633241  1
  Fe  Fe253  1  0.955871  0.286014  0.654545  1
  Fe  Fe254  1  0.288247  0.953699  0.654736  1
  Fe  Fe255  1  0.230917  0.229328  0.690522  1
  Fe  Fe256  1  0.596505  0.257752  0.675523  1
  Fe  Fe257  1  0.928874  0.925375  0.675520  1
  Fe  Fe258  1  0.264605  0.593493  0.675752  1
  Fe  Fe259  1  0.623530  0.618428  0.654747  1
  Fe  Fe260  1  0.563996  0.894463  0.690859  1
  Fe  Fe261  1  0.898946  0.561312  0.690521  1
  Fe  Fe262  1  0.064973  0.395359  0.690511  1
  Fe  Fe263  1  0.397110  0.063276  0.690551  1
  Fe  Fe264  1  0.430268  0.424422  0.675556  1
  Fe  Fe265  1  0.789770  0.452105  0.654566  1
  Fe  Fe266  1  0.121938  0.119922  0.654561  1
  Fe  Fe267  1  0.370083  0.699607  0.706760  1
  Fe  Fe268  1  0.732962  0.727523  0.690550  1
  Fe  Fe269  1  0.762661  0.091543  0.675557  1
  Fe  Fe270  1  0.095554  0.759130  0.675544  1
  Fe  Fe271  1  0.882484  0.378512  0.697810  1
  Fe  Fe272  1  0.213904  0.046859  0.697886  1
  Fe  Fe273  1  0.247367  0.411243  0.683140  1
  Fe  Fe274  1  0.612229  0.438772  0.666676  1
  Fe  Fe275  1  0.944079  0.106905  0.666694  1
  Fe  Fe276  1  0.273361  0.776602  0.665418  1
  Fe  Fe277  1  0.552771  0.710027  0.698461  1
  Fe  Fe278  1  0.580158  0.076376  0.683290  1
  Fe  Fe279  1  0.914064  0.743505  0.683156  1
  Fe  Fe280  1  0.048299  0.212687  0.697808  1
  Fe  Fe281  1  0.379742  0.882795  0.698452  1
  Fe  Fe282  1  0.413674  0.243863  0.683160  1
  Fe  Fe283  1  0.778079  0.272914  0.666698  1
  Fe  Fe284  1  0.109931  0.941051  0.666666  1
  Fe  Fe285  1  0.447752  0.602247  0.665476  1
  Fe  Fe286  1  0.716663  0.544134  0.697892  1
  Fe  Fe287  1  0.746506  0.910027  0.683291  1
  Fe  Fe288  1  0.081418  0.577186  0.683138  1
