# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99498736
_cell_length_b   8.99353460
_cell_length_c   46.61772626
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe144
_cell_volume   3752.31812873
_cell_formula_units_Z   144
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  0.972711  0.307585  0.320084  1
  Fe  Fe2  1  0.307249  0.973045  0.320085  1
  Fe  Fe3  1  0.379412  0.379758  0.284117  1
  Fe  Fe4  1  0.642691  0.643031  0.322586  1
  Fe  Fe5  1  0.714504  0.046395  0.284919  1
  Fe  Fe6  1  0.676151  0.337513  0.302015  1
  Fe  Fe7  1  0.046047  0.714849  0.284919  1
  Fe  Fe8  1  0.007017  0.007367  0.301973  1
  Fe  Fe9  1  0.337171  0.676499  0.302014  1
  Fe  Fe10  1  0.794354  0.126375  0.331398  1
  Fe  Fe11  1  0.126039  0.794691  0.331397  1
  Fe  Fe12  1  0.193953  0.194294  0.293264  1
  Fe  Fe13  1  0.565074  0.565426  0.276150  1
  Fe  Fe14  1  0.530599  0.855737  0.293099  1
  Fe  Fe15  1  0.489427  0.156061  0.311179  1
  Fe  Fe16  1  0.855384  0.530943  0.293099  1
  Fe  Fe17  1  0.822850  0.823187  0.311636  1
  Fe  Fe18  1  0.155725  0.489764  0.311179  1
  Fe  Fe19  1  0.885234  0.218198  0.376787  1
  Fe  Fe20  1  0.217878  0.885554  0.376787  1
  Fe  Fe21  1  0.279783  0.280114  0.339415  1
  Fe  Fe22  1  0.551266  0.551585  0.376686  1
  Fe  Fe23  1  0.611917  0.946109  0.339684  1
  Fe  Fe24  1  0.580554  0.248598  0.357760  1
  Fe  Fe25  1  0.945778  0.612247  0.339684  1
  Fe  Fe26  1  0.914850  0.915176  0.358129  1
  Fe  Fe27  1  0.248272  0.580880  0.357760  1
  Fe  Fe28  1  0.702227  0.036520  0.385987  1
  Fe  Fe29  1  0.036203  0.702544  0.385987  1
  Fe  Fe30  1  0.097474  0.097803  0.348538  1
  Fe  Fe31  1  0.462060  0.462397  0.330189  1
  Fe  Fe32  1  0.429138  0.764471  0.348753  1
  Fe  Fe33  1  0.398702  0.066297  0.366868  1
  Fe  Fe34  1  0.764142  0.429466  0.348752  1
  Fe  Fe35  1  0.733812  0.734134  0.367783  1
  Fe  Fe36  1  0.065975  0.399023  0.366867  1
  Fe  Fe37  1  0.792877  0.126639  0.432251  1
  Fe  Fe38  1  0.126337  0.793179  0.432251  1
  Fe  Fe39  1  0.187368  0.187681  0.395036  1
  Fe  Fe40  1  0.459556  0.459858  0.432154  1
  Fe  Fe41  1  0.520047  0.854581  0.395129  1
  Fe  Fe42  1  0.489534  0.156926  0.413500  1
  Fe  Fe43  1  0.854268  0.520360  0.395129  1
  Fe  Fe44  1  0.823717  0.824025  0.413834  1
  Fe  Fe45  1  0.156618  0.489841  0.413500  1
  Fe  Fe46  1  0.610737  0.944756  0.441470  1
  Fe  Fe47  1  0.944457  0.611035  0.441470  1
  Fe  Fe48  1  0.005423  0.005734  0.404449  1
  Fe  Fe49  1  0.369248  0.369565  0.385791  1
  Fe  Fe50  1  0.338328  0.672083  0.404298  1
  Fe  Fe51  1  0.308069  0.975388  0.422982  1
  Fe  Fe52  1  0.671773  0.338639  0.404298  1
  Fe  Fe53  1  0.641594  0.641898  0.422946  1
  Fe  Fe54  1  0.975083  0.308373  0.422982  1
  Fe  Fe55  1  0.701194  0.035021  0.487798  1
  Fe  Fe56  1  0.034738  0.701478  0.487798  1
  Fe  Fe57  1  0.095771  0.096067  0.450782  1
  Fe  Fe58  1  0.368073  0.368357  0.487835  1
  Fe  Fe59  1  0.428920  0.762581  0.450694  1
  Fe  Fe60  1  0.398457  0.065565  0.469292  1
  Fe  Fe61  1  0.762286  0.429215  0.450694  1
  Fe  Fe62  1  0.731874  0.732164  0.469263  1
  Fe  Fe63  1  0.065275  0.398746  0.469292  1
  Fe  Fe64  1  0.519378  0.852976  0.497060  1
  Fe  Fe65  1  0.852696  0.519658  0.497060  1
  Fe  Fe66  1  0.913885  0.914178  0.460069  1
  Fe  Fe67  1  0.277662  0.277961  0.441451  1
  Fe  Fe68  1  0.247084  0.580512  0.459944  1
  Fe  Fe69  1  0.216665  0.883493  0.478560  1
  Fe  Fe70  1  0.580219  0.247376  0.459944  1
  Fe  Fe71  1  0.549922  0.550208  0.478514  1
  Fe  Fe72  1  0.883207  0.216952  0.478560  1
  Fe  Fe73  1  0.609821  0.943350  0.543417  1
  Fe  Fe74  1  0.943084  0.610086  0.543417  1
  Fe  Fe75  1  0.004195  0.004472  0.506357  1
  Fe  Fe76  1  0.276611  0.276877  0.543498  1
  Fe  Fe77  1  0.337547  0.670939  0.506332  1
  Fe  Fe78  1  0.307028  0.973788  0.524881  1
  Fe  Fe79  1  0.670661  0.337824  0.506332  1
  Fe  Fe80  1  0.640291  0.640563  0.524863  1
  Fe  Fe81  1  0.973516  0.307300  0.524881  1
  Fe  Fe82  1  0.428049  0.761254  0.552704  1
  Fe  Fe83  1  0.760992  0.428312  0.552704  1
  Fe  Fe84  1  0.822203  0.822477  0.515582  1
  Fe  Fe85  1  0.186161  0.186442  0.497125  1
  Fe  Fe86  1  0.155607  0.489116  0.515632  1
  Fe  Fe87  1  0.125056  0.791805  0.534110  1
  Fe  Fe88  1  0.488841  0.155882  0.515632  1
  Fe  Fe89  1  0.458542  0.458810  0.534245  1
  Fe  Fe90  1  0.791537  0.125324  0.534110  1
  Fe  Fe91  1  0.518694  0.851393  0.599098  1
  Fe  Fe92  1  0.851146  0.518942  0.599098  1
  Fe  Fe93  1  0.912534  0.912793  0.561885  1
  Fe  Fe94  1  0.185040  0.185288  0.598957  1
  Fe  Fe95  1  0.245966  0.579475  0.561982  1
  Fe  Fe96  1  0.215364  0.881907  0.580380  1
  Fe  Fe97  1  0.579215  0.246226  0.561982  1
  Fe  Fe98  1  0.549165  0.549419  0.580727  1
  Fe  Fe99  1  0.881653  0.215617  0.580380  1
  Fe  Fe100  1  0.336507  0.669579  0.608347  1
  Fe  Fe101  1  0.669334  0.336752  0.608347  1
  Fe  Fe102  1  0.730615  0.730871  0.571182  1
  Fe  Fe103  1  0.094553  0.094816  0.552663  1
  Fe  Fe104  1  0.063713  0.397689  0.571194  1
  Fe  Fe105  1  0.033467  0.700584  0.589793  1
  Fe  Fe106  1  0.397432  0.063969  0.571194  1
  Fe  Fe107  1  0.367245  0.367496  0.589926  1
  Fe  Fe108  1  0.700334  0.033717  0.589793  1
  Fe  Fe109  1  0.426295  0.759392  0.654733  1
  Fe  Fe110  1  0.759162  0.426525  0.654733  1
  Fe  Fe111  1  0.820672  0.820912  0.617399  1
  Fe  Fe112  1  0.093620  0.093852  0.654477  1
  Fe  Fe113  1  0.153840  0.488247  0.617446  1
  Fe  Fe114  1  0.124559  0.790670  0.636256  1
  Fe  Fe115  1  0.488006  0.154081  0.617446  1
  Fe  Fe116  1  0.458004  0.458241  0.636570  1
  Fe  Fe117  1  0.790434  0.124795  0.636256  1
  Fe  Fe118  1  0.242833  0.578542  0.663821  1
  Fe  Fe119  1  0.578316  0.243058  0.663821  1
  Fe  Fe120  1  0.639983  0.640223  0.627422  1
  Fe  Fe121  1  0.002932  0.003177  0.608157  1
  Fe  Fe122  1  0.971470  0.305636  0.626496  1
  Fe  Fe123  1  0.940997  0.609615  0.645583  1
  Fe  Fe124  1  0.305397  0.971708  0.626496  1
  Fe  Fe125  1  0.275916  0.276147  0.645231  1
  Fe  Fe126  1  0.609383  0.941229  0.645583  1
  Fe  Fe127  1  0.326355  0.661306  0.710051  1
  Fe  Fe128  1  0.661092  0.326573  0.710051  1
  Fe  Fe129  1  0.732241  0.732465  0.674352  1
  Fe  Fe130  1  0.993541  0.993757  0.709296  1
  Fe  Fe131  1  0.063411  0.395760  0.671812  1
  Fe  Fe132  1  0.029973  0.701915  0.692293  1
  Fe  Fe133  1  0.395541  0.063632  0.671812  1
  Fe  Fe134  1  0.367094  0.367315  0.691715  1
  Fe  Fe135  1  0.701695  0.030187  0.692293  1
  Fe  Fe136  1  0.142067  0.473586  0.718228  1
  Fe  Fe137  1  0.473378  0.142279  0.718228  1
  Fe  Fe138  1  0.550238  0.550463  0.683239  1
  Fe  Fe139  1  0.912371  0.912597  0.662749  1
  Fe  Fe140  1  0.883108  0.216360  0.682832  1
  Fe  Fe141  1  0.851430  0.509266  0.701164  1
  Fe  Fe142  1  0.216136  0.883333  0.682832  1
  Fe  Fe143  1  0.181834  0.182039  0.701232  1
  Fe  Fe144  1  0.509050  0.851640  0.701165  1
