# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91821124
_cell_length_b   13.50833293
_cell_length_c   46.09999119
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.46105959
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe192
_cell_volume   5236.38192154
_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  0.690320  0.534607  0.290328  1
  Fe  Fe2  1  0.190320  0.534607  0.290328  1
  Fe  Fe3  1  0.113054  0.875153  0.282247  1
  Fe  Fe4  1  0.266606  0.192928  0.298569  1
  Fe  Fe5  1  0.613054  0.875153  0.282247  1
  Fe  Fe6  1  0.766606  0.192928  0.298569  1
  Fe  Fe7  1  0.938427  0.693312  0.298602  1
  Fe  Fe8  1  0.438427  0.693312  0.298602  1
  Fe  Fe9  1  0.356508  0.034904  0.290291  1
  Fe  Fe10  1  0.771926  0.374240  0.282447  1
  Fe  Fe11  1  0.856508  0.034904  0.290291  1
  Fe  Fe12  1  0.271926  0.374240  0.282447  1
  Fe  Fe13  1  0.430363  0.513848  0.316966  1
  Fe  Fe14  1  0.930363  0.513848  0.316966  1
  Fe  Fe15  1  0.850305  0.852571  0.307263  1
  Fe  Fe16  1  0.008809  0.174439  0.325777  1
  Fe  Fe17  1  0.350305  0.852571  0.307263  1
  Fe  Fe18  1  0.508809  0.174439  0.325777  1
  Fe  Fe19  1  0.677552  0.674101  0.325842  1
  Fe  Fe20  1  0.177552  0.674101  0.325842  1
  Fe  Fe21  1  0.094988  0.013744  0.316994  1
  Fe  Fe22  1  0.512828  0.352708  0.307447  1
  Fe  Fe23  1  0.594988  0.013744  0.316994  1
  Fe  Fe24  1  0.012828  0.352708  0.307447  1
  Fe  Fe25  1  0.168594  0.491912  0.344333  1
  Fe  Fe26  1  0.668594  0.491912  0.344333  1
  Fe  Fe27  1  0.588146  0.832383  0.335698  1
  Fe  Fe28  1  0.748273  0.152109  0.353673  1
  Fe  Fe29  1  0.088146  0.832383  0.335698  1
  Fe  Fe30  1  0.248273  0.152109  0.353673  1
  Fe  Fe31  1  0.415834  0.652101  0.353700  1
  Fe  Fe32  1  0.915834  0.652101  0.353700  1
  Fe  Fe33  1  0.835173  0.992031  0.344291  1
  Fe  Fe34  1  0.255803  0.332378  0.335853  1
  Fe  Fe35  1  0.335173  0.992031  0.344291  1
  Fe  Fe36  1  0.755803  0.332378  0.335853  1
  Fe  Fe37  1  0.908203  0.471838  0.372381  1
  Fe  Fe38  1  0.408203  0.471838  0.372381  1
  Fe  Fe39  1  0.328032  0.812110  0.362993  1
  Fe  Fe40  1  0.487225  0.131221  0.381444  1
  Fe  Fe41  1  0.828032  0.812110  0.362993  1
  Fe  Fe42  1  0.987225  0.131221  0.381444  1
  Fe  Fe43  1  0.156069  0.631281  0.381489  1
  Fe  Fe44  1  0.656069  0.631281  0.381489  1
  Fe  Fe45  1  0.575525  0.971803  0.372335  1
  Fe  Fe46  1  0.995742  0.312066  0.363080  1
  Fe  Fe47  1  0.075525  0.971803  0.372335  1
  Fe  Fe48  1  0.495742  0.312066  0.363080  1
  Fe  Fe49  1  0.647253  0.450593  0.400261  1
  Fe  Fe50  1  0.147253  0.450593  0.400261  1
  Fe  Fe51  1  0.067154  0.790748  0.391029  1
  Fe  Fe52  1  0.226828  0.110134  0.409527  1
  Fe  Fe53  1  0.567154  0.790748  0.391029  1
  Fe  Fe54  1  0.726828  0.110134  0.409527  1
  Fe  Fe55  1  0.895342  0.610209  0.409558  1
  Fe  Fe56  1  0.395342  0.610209  0.409558  1
  Fe  Fe57  1  0.315285  0.950601  0.400231  1
  Fe  Fe58  1  0.735434  0.290739  0.391090  1
  Fe  Fe59  1  0.815285  0.950601  0.400231  1
  Fe  Fe60  1  0.235434  0.290739  0.391090  1
  Fe  Fe61  1  0.386669  0.429472  0.428184  1
  Fe  Fe62  1  0.886669  0.429472  0.428184  1
  Fe  Fe63  1  0.806624  0.769787  0.418818  1
  Fe  Fe64  1  0.966319  0.089119  0.437427  1
  Fe  Fe65  1  0.306624  0.769787  0.418818  1
  Fe  Fe66  1  0.466319  0.089119  0.437427  1
  Fe  Fe67  1  0.634831  0.589170  0.437456  1
  Fe  Fe68  1  0.134831  0.589170  0.437456  1
  Fe  Fe69  1  0.054784  0.929480  0.428165  1
  Fe  Fe70  1  0.475057  0.269764  0.418848  1
  Fe  Fe71  1  0.554784  0.929480  0.428165  1
  Fe  Fe72  1  0.975057  0.269764  0.418848  1
  Fe  Fe73  1  0.126030  0.408372  0.456079  1
  Fe  Fe74  1  0.626030  0.408372  0.456079  1
  Fe  Fe75  1  0.546169  0.748727  0.446789  1
  Fe  Fe76  1  0.705814  0.068011  0.465377  1
  Fe  Fe77  1  0.046169  0.748727  0.446789  1
  Fe  Fe78  1  0.205814  0.068011  0.465377  1
  Fe  Fe79  1  0.374230  0.568047  0.465399  1
  Fe  Fe80  1  0.874230  0.568047  0.465399  1
  Fe  Fe81  1  0.794364  0.908406  0.456074  1
  Fe  Fe82  1  0.214523  0.248712  0.446808  1
  Fe  Fe83  1  0.294364  0.908406  0.456074  1
  Fe  Fe84  1  0.714523  0.248712  0.446808  1
  Fe  Fe85  1  0.865511  0.387300  0.484002  1
  Fe  Fe86  1  0.365511  0.387300  0.484002  1
  Fe  Fe87  1  0.285663  0.727680  0.474682  1
  Fe  Fe88  1  0.445313  0.046966  0.493285  1
  Fe  Fe89  1  0.785663  0.727680  0.474682  1
  Fe  Fe90  1  0.945313  0.046966  0.493285  1
  Fe  Fe91  1  0.113706  0.546980  0.493302  1
  Fe  Fe92  1  0.613706  0.546980  0.493302  1
  Fe  Fe93  1  0.533843  0.887338  0.484002  1
  Fe  Fe94  1  0.954025  0.227674  0.474696  1
  Fe  Fe95  1  0.033843  0.887338  0.484002  1
  Fe  Fe96  1  0.454025  0.227674  0.474696  1
  Fe  Fe97  1  0.604988  0.366229  0.511914  1
  Fe  Fe98  1  0.104988  0.366229  0.511914  1
  Fe  Fe99  1  0.025125  0.706588  0.502614  1
  Fe  Fe100  1  0.184806  0.025893  0.521220  1
  Fe  Fe101  1  0.525125  0.706588  0.502614  1
  Fe  Fe102  1  0.684806  0.025893  0.521220  1
  Fe  Fe103  1  0.853168  0.525888  0.521235  1
  Fe  Fe104  1  0.353168  0.525888  0.521235  1
  Fe  Fe105  1  0.273320  0.866268  0.511915  1
  Fe  Fe106  1  0.693518  0.206601  0.502631  1
  Fe  Fe107  1  0.773320  0.866268  0.511915  1
  Fe  Fe108  1  0.193518  0.206601  0.502631  1
  Fe  Fe109  1  0.344466  0.345161  0.539843  1
  Fe  Fe110  1  0.844466  0.345161  0.539843  1
  Fe  Fe111  1  0.764601  0.685521  0.530518  1
  Fe  Fe112  1  0.924308  0.004856  0.549109  1
  Fe  Fe113  1  0.264601  0.685521  0.530518  1
  Fe  Fe114  1  0.424308  0.004856  0.549109  1
  Fe  Fe115  1  0.592662  0.504841  0.549128  1
  Fe  Fe116  1  0.092662  0.504841  0.549128  1
  Fe  Fe117  1  0.012800  0.845196  0.539838  1
  Fe  Fe118  1  0.433016  0.185557  0.530539  1
  Fe  Fe119  1  0.512800  0.845196  0.539838  1
  Fe  Fe120  1  0.933016  0.185557  0.530539  1
  Fe  Fe121  1  0.084046  0.324088  0.567751  1
  Fe  Fe122  1  0.584046  0.324088  0.567751  1
  Fe  Fe123  1  0.503999  0.664398  0.558460  1
  Fe  Fe124  1  0.663774  0.983804  0.577068  1
  Fe  Fe125  1  1.003999  0.664398  0.558460  1
  Fe  Fe126  1  0.163774  0.983804  0.577068  1
  Fe  Fe127  1  0.332207  0.483780  0.577098  1
  Fe  Fe128  1  0.832207  0.483780  0.577098  1
  Fe  Fe129  1  0.752162  0.824095  0.567733  1
  Fe  Fe130  1  0.172512  0.164448  0.558490  1
  Fe  Fe131  1  0.252162  0.824095  0.567733  1
  Fe  Fe132  1  0.672512  0.164448  0.558490  1
  Fe  Fe133  1  0.823546  0.302967  0.595685  1
  Fe  Fe134  1  0.323546  0.302967  0.595685  1
  Fe  Fe135  1  0.243488  0.643358  0.586358  1
  Fe  Fe136  1  0.403397  0.962828  0.604827  1
  Fe  Fe137  1  0.743488  0.643358  0.586358  1
  Fe  Fe138  1  0.903397  0.962828  0.604827  1
  Fe  Fe139  1  0.071676  0.462820  0.604888  1
  Fe  Fe140  1  0.571676  0.462820  0.604888  1
  Fe  Fe141  1  0.491578  0.802975  0.595655  1
  Fe  Fe142  1  0.912003  0.143434  0.586390  1
  Fe  Fe143  1  0.991578  0.802975  0.595655  1
  Fe  Fe144  1  0.412003  0.143434  0.586390  1
  Fe  Fe145  1  0.563306  0.281764  0.623581  1
  Fe  Fe146  1  0.063306  0.281764  0.623581  1
  Fe  Fe147  1  0.982762  0.622287  0.614428  1
  Fe  Fe148  1  0.143088  0.941502  0.632837  1
  Fe  Fe149  1  0.482762  0.622287  0.614428  1
  Fe  Fe150  1  0.643088  0.941502  0.632837  1
  Fe  Fe151  1  0.810799  0.441457  0.632923  1
  Fe  Fe152  1  0.310799  0.441457  0.632923  1
  Fe  Fe153  1  0.230628  0.781730  0.623535  1
  Fe  Fe154  1  0.651606  0.122347  0.614472  1
  Fe  Fe155  1  0.730628  0.781730  0.623535  1
  Fe  Fe156  1  0.151606  0.122347  0.614472  1
  Fe  Fe157  1  0.303657  0.261536  0.651625  1
  Fe  Fe158  1  0.803657  0.261536  0.651625  1
  Fe  Fe159  1  0.722997  0.601467  0.642216  1
  Fe  Fe160  1  0.883028  0.921190  0.660063  1
  Fe  Fe161  1  0.222997  0.601467  0.642216  1
  Fe  Fe162  1  0.383028  0.921190  0.660063  1
  Fe  Fe163  1  0.550685  0.421184  0.660218  1
  Fe  Fe164  1  0.050685  0.421184  0.660218  1
  Fe  Fe165  1  0.970237  0.761656  0.651584  1
  Fe  Fe166  1  0.390557  0.101459  0.642244  1
  Fe  Fe167  1  0.470237  0.761656  0.651584  1
  Fe  Fe168  1  0.890557  0.101459  0.642244  1
  Fe  Fe169  1  0.043843  0.239824  0.678923  1
  Fe  Fe170  1  0.543843  0.239824  0.678923  1
  Fe  Fe171  1  0.461279  0.579467  0.670074  1
  Fe  Fe172  1  0.626003  0.900859  0.688469  1
  Fe  Fe173  1  0.961279  0.579467  0.670074  1
  Fe  Fe174  1  0.126003  0.900859  0.688469  1
  Fe  Fe175  1  0.288526  0.400997  0.688654  1
  Fe  Fe176  1  0.788526  0.400997  0.688654  1
  Fe  Fe177  1  0.708467  0.739720  0.678951  1
  Fe  Fe178  1  0.130022  0.079129  0.670139  1
  Fe  Fe179  1  0.208467  0.739720  0.678951  1
  Fe  Fe180  1  0.630022  0.079129  0.670139  1
  Fe  Fe181  1  0.782323  0.218664  0.705626  1
  Fe  Fe182  1  0.282323  0.218664  0.705626  1
  Fe  Fe183  1  0.200404  0.560255  0.697315  1
  Fe  Fe184  1  0.366905  0.879328  0.713469  1
  Fe  Fe185  1  0.700404  0.560255  0.697315  1
  Fe  Fe186  1  0.866905  0.879328  0.713469  1
  Fe  Fe187  1  0.025776  0.378415  0.713670  1
  Fe  Fe188  1  0.525776  0.378415  0.713670  1
  Fe  Fe189  1  0.448510  0.718961  0.705589  1
  Fe  Fe190  1  0.872224  0.060640  0.697348  1
  Fe  Fe191  1  0.948510  0.718961  0.705589  1
  Fe  Fe192  1  0.372224  0.060640  0.697348  1
