# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83410973
_cell_length_b   14.53491618
_cell_length_c   54.38498626
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe84
_cell_volume   2240.31050865
_cell_formula_units_Z   84
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  1.140136  0.485059  0.267319  1
  Fe  Fe2  1  1.140136  0.245861  0.226945  1
  Fe  Fe3  1  1.140136  0.872472  0.246449  1
  Fe  Fe4  1  0.640136  0.370110  0.244945  1
  Fe  Fe5  1  0.640136  -0.014142  0.267384  1
  Fe  Fe6  1  0.640136  0.603518  0.286684  1
  Fe  Fe7  1  0.640136  0.557271  0.236891  1
  Fe  Fe8  1  0.640136  0.175860  0.257602  1
  Fe  Fe9  1  0.640136  0.794913  0.277162  1
  Fe  Fe10  1  1.140136  0.294642  0.276751  1
  Fe  Fe11  1  1.140136  0.061768  0.236517  1
  Fe  Fe12  1  1.140136  0.680432  0.255018  1
  Fe  Fe13  1  1.140136  0.333344  0.329360  1
  Fe  Fe14  1  1.140136  0.100631  0.288370  1
  Fe  Fe15  1  1.140136  0.717444  0.308154  1
  Fe  Fe16  1  0.640136  0.217998  0.308504  1
  Fe  Fe17  1  0.640136  0.832429  0.329459  1
  Fe  Fe18  1  0.640136  0.449531  0.349944  1
  Fe  Fe19  1  0.640136  0.409007  0.298089  1
  Fe  Fe20  1  0.640136  0.024517  0.319408  1
  Fe  Fe21  1  0.640136  0.641122  0.339520  1
  Fe  Fe22  1  1.140136  0.141125  0.339887  1
  Fe  Fe23  1  1.140136  0.909161  0.298327  1
  Fe  Fe24  1  1.140136  0.526223  0.318426  1
  Fe  Fe25  1  1.140136  0.180288  0.391912  1
  Fe  Fe26  1  1.140136  0.948018  0.350484  1
  Fe  Fe27  1  1.140136  0.564735  0.370910  1
  Fe  Fe28  1  0.640136  0.064318  0.371164  1
  Fe  Fe29  1  0.640136  0.679850  0.391979  1
  Fe  Fe30  1  0.640136  0.296173  0.412678  1
  Fe  Fe31  1  0.640136  0.256918  0.360642  1
  Fe  Fe32  1  0.640136  0.871679  0.381674  1
  Fe  Fe33  1  0.640136  0.488221  0.402270  1
  Fe  Fe34  1  1.140136  -0.012259  0.402434  1
  Fe  Fe35  1  1.140136  0.756124  0.360687  1
  Fe  Fe36  1  1.140136  0.372853  0.381346  1
  Fe  Fe37  1  1.140136  0.027255  0.454478  1
  Fe  Fe38  1  1.140136  0.795357  0.412931  1
  Fe  Fe39  1  1.140136  0.411637  0.433598  1
  Fe  Fe40  1  0.640136  0.911280  0.433719  1
  Fe  Fe41  1  0.640136  0.526898  0.454599  1
  Fe  Fe42  1  0.640136  0.143177  0.475266  1
  Fe  Fe43  1  0.640136  0.103727  0.423191  1
  Fe  Fe44  1  0.640136  0.718930  0.444217  1
  Fe  Fe45  1  0.640136  0.335097  0.464910  1
  Fe  Fe46  1  1.140136  0.834807  0.465006  1
  Fe  Fe47  1  1.140136  0.603437  0.423287  1
  Fe  Fe48  1  1.140136  0.219605  0.443980  1
  Fe  Fe49  1  1.140136  0.874216  0.517033  1
  Fe  Fe50  1  1.140136  0.642362  0.475519  1
  Fe  Fe51  1  1.140136  0.258685  0.496218  1
  Fe  Fe52  1  0.640136  0.758247  0.496284  1
  Fe  Fe53  1  0.640136  0.373800  0.517287  1
  Fe  Fe54  1  0.640136  -0.009483  0.537712  1
  Fe  Fe55  1  0.640136  -0.049206  0.485762  1
  Fe  Fe56  1  0.640136  0.565682  0.506851  1
  Fe  Fe57  1  0.640136  0.182410  0.527510  1
  Fe  Fe58  1  1.140136  0.681617  0.527555  1
  Fe  Fe59  1  1.140136  0.450314  0.485927  1
  Fe  Fe60  1  1.140136  0.066856  0.506522  1
  Fe  Fe61  1  1.140136  0.720536  0.579693  1
  Fe  Fe62  1  1.140136  0.489003  0.538253  1
  Fe  Fe63  1  1.140136  0.106105  0.558738  1
  Fe  Fe64  1  0.640136  0.605191  0.558837  1
  Fe  Fe65  1  0.640136  0.221091  0.580043  1
  Fe  Fe66  1  0.640136  0.837904  0.599827  1
  Fe  Fe67  1  0.640136  0.797410  0.548309  1
  Fe  Fe68  1  0.640136  0.412312  0.569771  1
  Fe  Fe69  1  0.640136  0.029373  0.589869  1
  Fe  Fe70  1  1.140136  0.529528  0.590108  1
  Fe  Fe71  1  1.140136  0.297412  0.548677  1
  Fe  Fe72  1  1.140136  0.914018  0.568789  1
  Fe  Fe73  1  1.140136  0.568425  0.643252  1
  Fe  Fe74  1  1.140136  0.335016  0.601513  1
  Fe  Fe75  1  1.140136  -0.047324  0.620812  1
  Fe  Fe76  1  0.640136  0.453476  0.620878  1
  Fe  Fe77  1  0.640136  0.066062  0.641748  1
  Fe  Fe78  1  0.640136  0.692674  0.661252  1
  Fe  Fe79  1  0.640136  0.643893  0.611445  1
  Fe  Fe80  1  0.640136  0.258102  0.633178  1
  Fe  Fe81  1  0.640136  0.876767  0.651680  1
  Fe  Fe82  1  1.140136  0.381263  0.651306  1
  Fe  Fe83  1  1.140136  0.143622  0.611035  1
  Fe  Fe84  1  1.140136  0.762674  0.630594  1
