# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.00311228
_cell_length_b   13.73378596
_cell_length_c   45.84548511
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.10660535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe192
_cell_volume   5356.36917907
_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  0.691667  0.539921  0.293125  1
  Fe  Fe2  1  0.191667  0.539921  0.293125  1
  Fe  Fe3  1  0.109890  0.879929  0.284592  1
  Fe  Fe4  1  0.268750  0.201374  0.301692  1
  Fe  Fe5  1  0.609890  0.879929  0.284592  1
  Fe  Fe6  1  0.768750  0.201374  0.301692  1
  Fe  Fe7  1  0.933839  0.701359  0.301688  1
  Fe  Fe8  1  0.433839  0.701359  0.301688  1
  Fe  Fe9  1  0.349462  0.039896  0.293124  1
  Fe  Fe10  1  0.771399  0.379990  0.284579  1
  Fe  Fe11  1  0.849462  0.039896  0.293124  1
  Fe  Fe12  1  0.271399  0.379990  0.284579  1
  Fe  Fe13  1  0.429995  0.521393  0.319568  1
  Fe  Fe14  1  0.929995  0.521393  0.319568  1
  Fe  Fe15  1  0.849332  0.861220  0.310501  1
  Fe  Fe16  1  0.007984  0.181464  0.328570  1
  Fe  Fe17  1  0.349332  0.861220  0.310501  1
  Fe  Fe18  1  0.507984  0.181464  0.328570  1
  Fe  Fe19  1  0.674711  0.681484  0.328565  1
  Fe  Fe20  1  0.174711  0.681484  0.328565  1
  Fe  Fe21  1  0.092646  0.021393  0.319566  1
  Fe  Fe22  1  0.513187  0.361211  0.310487  1
  Fe  Fe23  1  0.592646  0.021393  0.319566  1
  Fe  Fe24  1  0.013187  0.361211  0.310487  1
  Fe  Fe25  1  0.168559  0.500938  0.347429  1
  Fe  Fe26  1  0.668559  0.500938  0.347429  1
  Fe  Fe27  1  0.588219  0.841014  0.338382  1
  Fe  Fe28  1  0.747558  0.160868  0.356544  1
  Fe  Fe29  1  0.088219  0.841014  0.338382  1
  Fe  Fe30  1  0.247558  0.160868  0.356544  1
  Fe  Fe31  1  0.414537  0.660870  0.356541  1
  Fe  Fe32  1  0.914537  0.660870  0.356541  1
  Fe  Fe33  1  0.833616  1.000938  0.347430  1
  Fe  Fe34  1  0.254059  0.341022  0.338372  1
  Fe  Fe35  1  0.333616  1.000938  0.347430  1
  Fe  Fe36  1  0.754059  0.341022  0.338372  1
  Fe  Fe37  1  0.908240  0.481071  0.375231  1
  Fe  Fe38  1  0.408240  0.481071  0.375231  1
  Fe  Fe39  1  0.327797  0.820831  0.365928  1
  Fe  Fe40  1  0.487639  0.141133  0.384368  1
  Fe  Fe41  1  0.827797  0.820831  0.365928  1
  Fe  Fe42  1  0.987639  0.141133  0.384368  1
  Fe  Fe43  1  0.154723  0.641134  0.384364  1
  Fe  Fe44  1  0.654723  0.641134  0.384364  1
  Fe  Fe45  1  0.574067  0.981073  0.375231  1
  Fe  Fe46  1  0.994284  0.320835  0.365919  1
  Fe  Fe47  1  0.074067  0.981073  0.375231  1
  Fe  Fe48  1  0.494284  0.320835  0.365919  1
  Fe  Fe49  1  0.647903  0.461041  0.403056  1
  Fe  Fe50  1  0.147903  0.461041  0.403056  1
  Fe  Fe51  1  0.067636  0.800968  0.393845  1
  Fe  Fe52  1  0.227635  0.121097  0.412291  1
  Fe  Fe53  1  0.567636  0.800968  0.393845  1
  Fe  Fe54  1  0.727635  0.121097  0.412291  1
  Fe  Fe55  1  0.894693  0.621098  0.412288  1
  Fe  Fe56  1  0.394693  0.621098  0.412288  1
  Fe  Fe57  1  0.314372  0.961042  0.403056  1
  Fe  Fe58  1  0.734576  0.300972  0.393839  1
  Fe  Fe59  1  0.814372  0.961042  0.403056  1
  Fe  Fe60  1  0.234576  0.300972  0.393839  1
  Fe  Fe61  1  0.387829  0.441133  0.430912  1
  Fe  Fe62  1  0.887829  0.441133  0.430912  1
  Fe  Fe63  1  0.807637  0.781072  0.421626  1
  Fe  Fe64  1  0.967673  0.101178  0.440135  1
  Fe  Fe65  1  0.307637  0.781072  0.421626  1
  Fe  Fe66  1  0.467673  0.101178  0.440135  1
  Fe  Fe67  1  0.634736  0.601178  0.440131  1
  Fe  Fe68  1  0.134736  0.601178  0.440131  1
  Fe  Fe69  1  0.054538  0.941134  0.430911  1
  Fe  Fe70  1  0.474674  0.281076  0.421621  1
  Fe  Fe71  1  0.554538  0.941134  0.430911  1
  Fe  Fe72  1  0.974674  0.281076  0.421621  1
  Fe  Fe73  1  0.127795  0.421196  0.458745  1
  Fe  Fe74  1  0.627795  0.421196  0.458745  1
  Fe  Fe75  1  0.547659  0.761145  0.449490  1
  Fe  Fe76  1  0.707707  0.081231  0.468012  1
  Fe  Fe77  1  0.047659  0.761145  0.449490  1
  Fe  Fe78  1  0.207707  0.081231  0.468012  1
  Fe  Fe79  1  0.374757  0.581232  0.468008  1
  Fe  Fe80  1  0.874757  0.581232  0.468008  1
  Fe  Fe81  1  0.794634  0.921197  0.458744  1
  Fe  Fe82  1  0.214722  0.261148  0.449485  1
  Fe  Fe83  1  0.294634  0.921197  0.458744  1
  Fe  Fe84  1  0.714722  0.261148  0.449485  1
  Fe  Fe85  1  0.867808  0.401264  0.486599  1
  Fe  Fe86  1  0.367808  0.401264  0.486599  1
  Fe  Fe87  1  0.287699  0.741224  0.477321  1
  Fe  Fe88  1  0.447741  0.061304  0.495857  1
  Fe  Fe89  1  0.787699  0.741224  0.477321  1
  Fe  Fe90  1  0.947741  0.061304  0.495857  1
  Fe  Fe91  1  0.114795  0.561306  0.495853  1
  Fe  Fe92  1  0.614795  0.561306  0.495853  1
  Fe  Fe93  1  0.534690  0.901265  0.486598  1
  Fe  Fe94  1  0.954761  0.241227  0.477317  1
  Fe  Fe95  1  0.034690  0.901265  0.486598  1
  Fe  Fe96  1  0.454761  0.241227  0.477317  1
  Fe  Fe97  1  0.607842  0.381333  0.514437  1
  Fe  Fe98  1  0.107842  0.381333  0.514437  1
  Fe  Fe99  1  0.027737  0.721292  0.505183  1
  Fe  Fe100  1  0.187771  0.041371  0.523719  1
  Fe  Fe101  1  0.527737  0.721292  0.505183  1
  Fe  Fe102  1  0.687771  0.041371  0.523719  1
  Fe  Fe103  1  0.854833  0.541374  0.523715  1
  Fe  Fe104  1  0.354833  0.541374  0.523715  1
  Fe  Fe105  1  0.274725  0.881334  0.514437  1
  Fe  Fe106  1  0.694791  0.221294  0.505179  1
  Fe  Fe107  1  0.774725  0.881334  0.514437  1
  Fe  Fe108  1  0.194791  0.221294  0.505179  1
  Fe  Fe109  1  0.347898  0.361401  0.542292  1
  Fe  Fe110  1  0.847898  0.361401  0.542292  1
  Fe  Fe111  1  0.767775  0.701366  0.533028  1
  Fe  Fe112  1  0.927810  0.021450  0.551551  1
  Fe  Fe113  1  0.267775  0.701366  0.533028  1
  Fe  Fe114  1  0.427810  0.021450  0.551551  1
  Fe  Fe115  1  0.594873  0.521453  0.551546  1
  Fe  Fe116  1  0.094873  0.521453  0.551546  1
  Fe  Fe117  1  0.014737  0.861402  0.542291  1
  Fe  Fe118  1  0.434826  0.201367  0.533024  1
  Fe  Fe119  1  0.514737  0.861402  0.542291  1
  Fe  Fe120  1  0.934826  0.201367  0.533024  1
  Fe  Fe121  1  0.087995  0.341464  0.570125  1
  Fe  Fe122  1  0.587995  0.341464  0.570125  1
  Fe  Fe123  1  0.507796  0.681420  0.560905  1
  Fe  Fe124  1  0.667858  0.001522  0.579415  1
  Fe  Fe125  1  0.007796  0.681420  0.560905  1
  Fe  Fe126  1  0.167858  0.001522  0.579415  1
  Fe  Fe127  1  0.334896  0.501526  0.579410  1
  Fe  Fe128  1  0.834896  0.501526  0.579410  1
  Fe  Fe129  1  0.754704  0.841465  0.570124  1
  Fe  Fe130  1  0.174859  0.181420  0.560901  1
  Fe  Fe131  1  0.254704  0.841465  0.570124  1
  Fe  Fe132  1  0.674859  0.181420  0.560901  1
  Fe  Fe133  1  0.828160  0.321556  0.597980  1
  Fe  Fe134  1  0.328160  0.321556  0.597980  1
  Fe  Fe135  1  0.247839  0.661500  0.588748  1
  Fe  Fe136  1  0.407957  0.981626  0.607197  1
  Fe  Fe137  1  0.747839  0.661500  0.588748  1
  Fe  Fe138  1  0.907957  0.981626  0.607197  1
  Fe  Fe139  1  0.074897  0.481630  0.607191  1
  Fe  Fe140  1  0.574897  0.481630  0.607191  1
  Fe  Fe141  1  0.494630  0.821557  0.597980  1
  Fe  Fe142  1  0.914897  0.161501  0.588745  1
  Fe  Fe143  1  0.994630  0.821557  0.597980  1
  Fe  Fe144  1  0.414897  0.161501  0.588745  1
  Fe  Fe145  1  0.568465  0.301525  0.625805  1
  Fe  Fe146  1  0.068465  0.301525  0.625805  1
  Fe  Fe147  1  0.987809  0.641464  0.616672  1
  Fe  Fe148  1  0.148248  0.961763  0.635117  1
  Fe  Fe149  1  0.487809  0.641464  0.616672  1
  Fe  Fe150  1  0.648248  0.961763  0.635117  1
  Fe  Fe151  1  0.814735  0.461767  0.635108  1
  Fe  Fe152  1  0.314735  0.461767  0.635108  1
  Fe  Fe153  1  0.234293  0.801527  0.625804  1
  Fe  Fe154  1  0.654893  0.141465  0.616668  1
  Fe  Fe155  1  0.734293  0.801527  0.625804  1
  Fe  Fe156  1  0.154893  0.141465  0.616668  1
  Fe  Fe157  1  0.308916  0.281660  0.653605  1
  Fe  Fe158  1  0.808916  0.281660  0.653605  1
  Fe  Fe159  1  0.727995  0.621728  0.644495  1
  Fe  Fe160  1  0.888473  0.941576  0.662664  1
  Fe  Fe161  1  0.227995  0.621728  0.644495  1
  Fe  Fe162  1  0.388473  0.941576  0.662664  1
  Fe  Fe163  1  0.554313  0.441584  0.662654  1
  Fe  Fe164  1  0.054313  0.441584  0.662654  1
  Fe  Fe165  1  0.973973  0.781660  0.653607  1
  Fe  Fe166  1  0.394974  0.121730  0.644492  1
  Fe  Fe167  1  0.473973  0.781660  0.653607  1
  Fe  Fe168  1  0.894974  0.121730  0.644492  1
  Fe  Fe169  1  0.049886  0.261205  0.681470  1
  Fe  Fe170  1  0.549886  0.261205  0.681470  1
  Fe  Fe171  1  0.467821  0.601114  0.672471  1
  Fe  Fe172  1  0.629345  0.921387  0.690549  1
  Fe  Fe173  1  0.967821  0.601114  0.672471  1
  Fe  Fe174  1  0.129345  0.921387  0.690549  1
  Fe  Fe175  1  0.293201  0.421378  0.690534  1
  Fe  Fe176  1  0.793201  0.421378  0.690534  1
  Fe  Fe177  1  0.712537  0.761205  0.681468  1
  Fe  Fe178  1  0.134549  0.101134  0.672466  1
  Fe  Fe179  1  0.212537  0.761205  0.681468  1
  Fe  Fe180  1  0.634549  0.101134  0.672466  1
  Fe  Fe181  1  0.793071  0.242702  0.707912  1
  Fe  Fe182  1  0.293071  0.242702  0.707912  1
  Fe  Fe183  1  0.208693  0.581239  0.699348  1
  Fe  Fe184  1  0.371133  0.902608  0.716457  1
  Fe  Fe185  1  0.708693  0.581239  0.699348  1
  Fe  Fe186  1  0.871133  0.902608  0.716457  1
  Fe  Fe187  1  0.032643  0.402669  0.716443  1
  Fe  Fe188  1  0.532643  0.402669  0.716443  1
  Fe  Fe189  1  0.450866  0.742677  0.707911  1
  Fe  Fe190  1  0.873782  0.081224  0.699344  1
  Fe  Fe191  1  0.950866  0.742677  0.707911  1
  Fe  Fe192  1  0.373782  0.081224  0.699344  1
