# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91599700
_cell_length_b   13.50813266
_cell_length_c   46.04165827
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.46106927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe192
_cell_volume   5228.37974364
_cell_formula_units_Z   192
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  0.690515  0.534676  0.290662  1
  Fe  Fe2  1  0.190515  0.534676  0.290662  1
  Fe  Fe3  1  0.113155  0.875268  0.282554  1
  Fe  Fe4  1  0.266697  0.192993  0.298909  1
  Fe  Fe5  1  0.613155  0.875268  0.282554  1
  Fe  Fe6  1  0.766697  0.192993  0.298909  1
  Fe  Fe7  1  0.938690  0.693383  0.298942  1
  Fe  Fe8  1  0.438690  0.693383  0.298942  1
  Fe  Fe9  1  0.356703  0.034984  0.290625  1
  Fe  Fe10  1  0.772251  0.374355  0.282749  1
  Fe  Fe11  1  0.856703  0.034984  0.290625  1
  Fe  Fe12  1  0.272251  0.374355  0.282749  1
  Fe  Fe13  1  0.430551  0.513905  0.317340  1
  Fe  Fe14  1  0.930551  0.513905  0.317340  1
  Fe  Fe15  1  0.850389  0.852614  0.307615  1
  Fe  Fe16  1  0.008891  0.174473  0.326175  1
  Fe  Fe17  1  0.350389  0.852614  0.307615  1
  Fe  Fe18  1  0.508891  0.174473  0.326175  1
  Fe  Fe19  1  0.677790  0.674140  0.326236  1
  Fe  Fe20  1  0.177790  0.674140  0.326236  1
  Fe  Fe21  1  0.095157  0.013801  0.317369  1
  Fe  Fe22  1  0.513082  0.352749  0.307798  1
  Fe  Fe23  1  0.595157  0.013801  0.317369  1
  Fe  Fe24  1  0.013082  0.352749  0.307798  1
  Fe  Fe25  1  0.168750  0.491958  0.344745  1
  Fe  Fe26  1  0.668750  0.491958  0.344745  1
  Fe  Fe27  1  0.588278  0.832439  0.336084  1
  Fe  Fe28  1  0.748375  0.152162  0.354099  1
  Fe  Fe29  1  0.088278  0.832439  0.336084  1
  Fe  Fe30  1  0.248375  0.152162  0.354099  1
  Fe  Fe31  1  0.416059  0.652151  0.354125  1
  Fe  Fe32  1  0.916059  0.652151  0.354125  1
  Fe  Fe33  1  0.835344  0.992079  0.344704  1
  Fe  Fe34  1  0.256010  0.332437  0.336235  1
  Fe  Fe35  1  0.335344  0.992079  0.344704  1
  Fe  Fe36  1  0.756010  0.332437  0.336235  1
  Fe  Fe37  1  0.908334  0.471870  0.372831  1
  Fe  Fe38  1  0.408334  0.471870  0.372831  1
  Fe  Fe39  1  0.328163  0.812153  0.363431  1
  Fe  Fe40  1  0.487329  0.131252  0.381914  1
  Fe  Fe41  1  0.828163  0.812153  0.363431  1
  Fe  Fe42  1  0.987329  0.131252  0.381914  1
  Fe  Fe43  1  0.156265  0.631314  0.381957  1
  Fe  Fe44  1  0.656265  0.631314  0.381957  1
  Fe  Fe45  1  0.575700  0.971839  0.372786  1
  Fe  Fe46  1  0.995929  0.312110  0.363518  1
  Fe  Fe47  1  0.075700  0.971839  0.372786  1
  Fe  Fe48  1  0.495929  0.312110  0.363518  1
  Fe  Fe49  1  0.647380  0.450624  0.400753  1
  Fe  Fe50  1  0.147380  0.450624  0.400753  1
  Fe  Fe51  1  0.067283  0.790784  0.391504  1
  Fe  Fe52  1  0.226936  0.110163  0.410032  1
  Fe  Fe53  1  0.567283  0.790784  0.391504  1
  Fe  Fe54  1  0.726936  0.110163  0.410032  1
  Fe  Fe55  1  0.895529  0.610239  0.410062  1
  Fe  Fe56  1  0.395529  0.610239  0.410062  1
  Fe  Fe57  1  0.315454  0.950631  0.400724  1
  Fe  Fe58  1  0.735608  0.290778  0.391565  1
  Fe  Fe59  1  0.815454  0.950631  0.400724  1
  Fe  Fe60  1  0.235608  0.290778  0.391565  1
  Fe  Fe61  1  0.386787  0.429496  0.428715  1
  Fe  Fe62  1  0.886787  0.429496  0.428715  1
  Fe  Fe63  1  0.806745  0.769813  0.419337  1
  Fe  Fe64  1  0.966427  0.089140  0.437973  1
  Fe  Fe65  1  0.306745  0.769813  0.419337  1
  Fe  Fe66  1  0.466427  0.089140  0.437973  1
  Fe  Fe67  1  0.635006  0.589192  0.438002  1
  Fe  Fe68  1  0.135006  0.589192  0.438002  1
  Fe  Fe69  1  0.054953  0.929504  0.428697  1
  Fe  Fe70  1  0.475224  0.269792  0.419367  1
  Fe  Fe71  1  0.554953  0.929504  0.428697  1
  Fe  Fe72  1  0.975224  0.269792  0.419367  1
  Fe  Fe73  1  0.126143  0.408388  0.456650  1
  Fe  Fe74  1  0.626143  0.408388  0.456650  1
  Fe  Fe75  1  0.546282  0.748746  0.447346  1
  Fe  Fe76  1  0.705920  0.068026  0.465962  1
  Fe  Fe77  1  0.046282  0.748746  0.447346  1
  Fe  Fe78  1  0.205920  0.068026  0.465962  1
  Fe  Fe79  1  0.374397  0.568062  0.465983  1
  Fe  Fe80  1  0.874397  0.568062  0.465983  1
  Fe  Fe81  1  0.794527  0.908423  0.456645  1
  Fe  Fe82  1  0.214688  0.248733  0.447365  1
  Fe  Fe83  1  0.294527  0.908423  0.456645  1
  Fe  Fe84  1  0.714688  0.248733  0.447365  1
  Fe  Fe85  1  0.865617  0.387310  0.484613  1
  Fe  Fe86  1  0.365617  0.387310  0.484613  1
  Fe  Fe87  1  0.285769  0.727691  0.475280  1
  Fe  Fe88  1  0.445414  0.046973  0.493910  1
  Fe  Fe89  1  0.785769  0.727691  0.475280  1
  Fe  Fe90  1  0.945414  0.046973  0.493910  1
  Fe  Fe91  1  0.113865  0.546988  0.493927  1
  Fe  Fe92  1  0.613865  0.546988  0.493927  1
  Fe  Fe93  1  0.534001  0.887349  0.484613  1
  Fe  Fe94  1  0.954186  0.227688  0.475294  1
  Fe  Fe95  1  0.034001  0.887349  0.484613  1
  Fe  Fe96  1  0.454186  0.227688  0.475294  1
  Fe  Fe97  1  0.605088  0.366233  0.512565  1
  Fe  Fe98  1  0.105088  0.366233  0.512565  1
  Fe  Fe99  1  0.025224  0.706593  0.503251  1
  Fe  Fe100  1  0.184904  0.025894  0.521884  1
  Fe  Fe101  1  0.525224  0.706593  0.503251  1
  Fe  Fe102  1  0.684904  0.025894  0.521884  1
  Fe  Fe103  1  0.853320  0.525890  0.521899  1
  Fe  Fe104  1  0.353320  0.525890  0.521899  1
  Fe  Fe105  1  0.273473  0.866271  0.512566  1
  Fe  Fe106  1  0.693675  0.206608  0.503268  1
  Fe  Fe107  1  0.773473  0.866271  0.512566  1
  Fe  Fe108  1  0.193675  0.206608  0.503268  1
  Fe  Fe109  1  0.344563  0.345158  0.540533  1
  Fe  Fe110  1  0.844563  0.345158  0.540533  1
  Fe  Fe111  1  0.764693  0.685519  0.531195  1
  Fe  Fe112  1  0.924401  0.004849  0.549813  1
  Fe  Fe113  1  0.264693  0.685519  0.531195  1
  Fe  Fe114  1  0.424401  0.004849  0.549813  1
  Fe  Fe115  1  0.592808  0.504835  0.549833  1
  Fe  Fe116  1  0.092808  0.504835  0.549833  1
  Fe  Fe117  1  0.012947  0.845193  0.540528  1
  Fe  Fe118  1  0.433170  0.185556  0.531217  1
  Fe  Fe119  1  0.512947  0.845193  0.540528  1
  Fe  Fe120  1  0.933170  0.185556  0.531217  1
  Fe  Fe121  1  0.084137  0.324078  0.568482  1
  Fe  Fe122  1  0.584137  0.324078  0.568482  1
  Fe  Fe123  1  0.504084  0.664390  0.559177  1
  Fe  Fe124  1  0.663865  0.983790  0.577812  1
  Fe  Fe125  1  1.004084  0.664390  0.559177  1
  Fe  Fe126  1  0.163865  0.983790  0.577812  1
  Fe  Fe127  1  0.332344  0.483769  0.577842  1
  Fe  Fe128  1  0.832344  0.483769  0.577842  1
  Fe  Fe129  1  0.752303  0.824085  0.568464  1
  Fe  Fe130  1  0.172663  0.164442  0.559206  1
  Fe  Fe131  1  0.252303  0.824085  0.568464  1
  Fe  Fe132  1  0.672663  0.164442  0.559206  1
  Fe  Fe133  1  0.823636  0.302950  0.596455  1
  Fe  Fe134  1  0.323636  0.302950  0.596455  1
  Fe  Fe135  1  0.243560  0.643343  0.587116  1
  Fe  Fe136  1  0.403482  0.962804  0.605613  1
  Fe  Fe137  1  0.743560  0.643343  0.587116  1
  Fe  Fe138  1  0.903482  0.962804  0.605613  1
  Fe  Fe139  1  0.071807  0.462798  0.605674  1
  Fe  Fe140  1  0.571807  0.462798  0.605674  1
  Fe  Fe141  1  0.491709  0.802958  0.596425  1
  Fe  Fe142  1  0.912154  0.143419  0.587147  1
  Fe  Fe143  1  0.991709  0.802958  0.596425  1
  Fe  Fe144  1  0.412154  0.143419  0.587147  1
  Fe  Fe145  1  0.563390  0.281742  0.624392  1
  Fe  Fe146  1  0.063390  0.281742  0.624392  1
  Fe  Fe147  1  0.982825  0.622267  0.615222  1
  Fe  Fe148  1  0.143160  0.941471  0.633661  1
  Fe  Fe149  1  0.482825  0.622267  0.615222  1
  Fe  Fe150  1  0.643160  0.941471  0.633661  1
  Fe  Fe151  1  0.810926  0.441429  0.633747  1
  Fe  Fe152  1  0.310926  0.441429  0.633747  1
  Fe  Fe153  1  0.230756  0.781711  0.624348  1
  Fe  Fe154  1  0.651761  0.122329  0.615265  1
  Fe  Fe155  1  0.730756  0.781711  0.624348  1
  Fe  Fe156  1  0.151761  0.122329  0.615265  1
  Fe  Fe157  1  0.303746  0.261503  0.652474  1
  Fe  Fe158  1  0.803746  0.261503  0.652474  1
  Fe  Fe159  1  0.723031  0.601430  0.643053  1
  Fe  Fe160  1  0.883080  0.921145  0.660944  1
  Fe  Fe161  1  0.223031  0.601430  0.643053  1
  Fe  Fe162  1  0.383080  0.921145  0.660944  1
  Fe  Fe163  1  0.550811  0.421143  0.661095  1
  Fe  Fe164  1  0.050811  0.421143  0.661095  1
  Fe  Fe165  1  0.970340  0.761624  0.652433  1
  Fe  Fe166  1  0.390715  0.101419  0.643079  1
  Fe  Fe167  1  0.470340  0.761624  0.652433  1
  Fe  Fe168  1  0.890715  0.101419  0.643079  1
  Fe  Fe169  1  0.043933  0.239780  0.679809  1
  Fe  Fe170  1  0.543933  0.239780  0.679809  1
  Fe  Fe171  1  0.461300  0.579441  0.670943  1
  Fe  Fe172  1  0.626008  0.900832  0.689381  1
  Fe  Fe173  1  0.961300  0.579441  0.670943  1
  Fe  Fe174  1  0.126008  0.900832  0.689381  1
  Fe  Fe175  1  0.288701  0.400967  0.689563  1
  Fe  Fe176  1  0.788701  0.400967  0.689563  1
  Fe  Fe177  1  0.708539  0.739677  0.679839  1
  Fe  Fe178  1  0.130198  0.079108  0.671004  1
  Fe  Fe179  1  0.208539  0.739677  0.679839  1
  Fe  Fe180  1  0.630198  0.079108  0.671004  1
  Fe  Fe181  1  0.782386  0.218598  0.706553  1
  Fe  Fe182  1  0.282386  0.218598  0.706553  1
  Fe  Fe183  1  0.200399  0.560199  0.698237  1
  Fe  Fe184  1  0.366839  0.879227  0.714429  1
  Fe  Fe185  1  0.700399  0.560199  0.698237  1
  Fe  Fe186  1  0.866839  0.879227  0.714429  1
  Fe  Fe187  1  0.025935  0.378313  0.714624  1
  Fe  Fe188  1  0.525935  0.378313  0.714624  1
  Fe  Fe189  1  0.448574  0.718906  0.706516  1
  Fe  Fe190  1  0.872393  0.060589  0.698270  1
  Fe  Fe191  1  0.948574  0.718906  0.706516  1
  Fe  Fe192  1  0.372393  0.060589  0.698270  1
