# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58006687
_cell_length_b   10.76195224
_cell_length_c   47.39685715
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.90053670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe48
_cell_volume   1306.51434367
_cell_formula_units_Z   48
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  0.035481  0.566163  0.294440  1
  Fe  Fe2  1  0.315639  0.126991  0.277373  1
  Fe  Fe3  1  0.633924  0.762576  0.309134  1
  Fe  Fe4  1  0.915690  0.326674  0.291604  1
  Fe  Fe5  1  0.469340  0.434019  0.332368  1
  Fe  Fe6  1  0.751142  0.998248  0.313744  1
  Fe  Fe7  1  0.067248  0.629513  0.347790  1
  Fe  Fe8  1  0.349872  0.195129  0.330228  1
  Fe  Fe9  1  0.903807  0.302949  0.369750  1
  Fe  Fe10  1  0.186071  0.867684  0.350673  1
  Fe  Fe11  1  0.501575  0.498189  0.384817  1
  Fe  Fe12  1  0.783861  0.062987  0.366729  1
  Fe  Fe13  1  0.337728  0.170733  0.406676  1
  Fe  Fe14  1  0.620766  0.736833  0.387770  1
  Fe  Fe15  1  0.935697  0.366354  0.421908  1
  Fe  Fe16  1  0.218230  0.931544  0.403358  1
  Fe  Fe17  1  0.771791  0.038760  0.443520  1
  Fe  Fe18  1  0.054926  0.605031  0.424934  1
  Fe  Fe19  1  0.369731  0.234323  0.458871  1
  Fe  Fe20  1  0.652586  0.800097  0.440275  1
  Fe  Fe21  1  0.205970  0.906998  0.480460  1
  Fe  Fe22  1  0.489063  0.473187  0.461991  1
  Fe  Fe23  1  0.803828  0.102412  0.495796  1
  Fe  Fe24  1  0.086845  0.668471  0.477293  1
  Fe  Fe25  1  0.640167  0.775257  0.517467  1
  Fe  Fe26  1  0.923184  0.341316  0.498963  1
  Fe  Fe27  1  0.237949  0.970542  0.532768  1
  Fe  Fe28  1  0.521042  0.536731  0.514300  1
  Fe  Fe29  1  0.074426  0.643632  0.554484  1
  Fe  Fe30  1  0.357280  0.209405  0.535889  1
  Fe  Fe31  1  0.672086  0.838698  0.569825  1
  Fe  Fe32  1  0.955221  0.404968  0.551240  1
  Fe  Fe33  1  0.508781  0.512184  0.591402  1
  Fe  Fe34  1  0.791314  0.077375  0.572852  1
  Fe  Fe35  1  0.106246  0.706895  0.606989  1
  Fe  Fe36  1  0.389284  0.272996  0.588084  1
  Fe  Fe37  1  0.943151  0.380742  0.628030  1
  Fe  Fe38  1  0.225436  0.945539  0.609943  1
  Fe  Fe39  1  0.540941  0.576045  0.644086  1
  Fe  Fe40  1  0.823205  0.140780  0.625010  1
  Fe  Fe41  1  0.377140  0.248600  0.664532  1
  Fe  Fe42  1  0.659764  0.814216  0.646969  1
  Fe  Fe43  1  0.975870  0.445481  0.681016  1
  Fe  Fe44  1  0.257672  0.009710  0.662392  1
  Fe  Fe45  1  0.811322  0.117054  0.703155  1
  Fe  Fe46  1  0.093087  0.681153  0.685625  1
  Fe  Fe47  1  0.411373  0.316738  0.717387  1
  Fe  Fe48  1  0.691531  0.877566  0.700320  1
