# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57563691
_cell_length_b   10.80195766
_cell_length_c   47.43431410
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.91754418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe48
_cell_volume   1310.10688792
_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  0.031283  0.556581  0.296876  1
  Fe  Fe2  1  0.314450  0.123658  0.279348  1
  Fe  Fe3  1  0.630183  0.752803  0.311294  1
  Fe  Fe4  1  0.912871  0.318726  0.293437  1
  Fe  Fe5  1  0.466348  0.426132  0.333259  1
  Fe  Fe6  1  0.747863  0.990923  0.314536  1
  Fe  Fe7  1  0.065184  0.622091  0.348350  1
  Fe  Fe8  1  0.347674  0.187811  0.330432  1
  Fe  Fe9  1  0.901204  0.294555  0.370473  1
  Fe  Fe10  1  0.183162  0.859880  0.351325  1
  Fe  Fe11  1  0.499634  0.490025  0.385587  1
  Fe  Fe12  1  0.781426  0.055069  0.366845  1
  Fe  Fe13  1  0.335066  0.161965  0.407262  1
  Fe  Fe14  1  0.618257  0.728472  0.388617  1
  Fe  Fe15  1  0.933594  0.357413  0.422801  1
  Fe  Fe16  1  0.216380  0.923506  0.403968  1
  Fe  Fe17  1  0.769645  0.029888  0.444314  1
  Fe  Fe18  1  0.052702  0.596137  0.425845  1
  Fe  Fe19  1  0.367936  0.225081  0.459806  1
  Fe  Fe20  1  0.650950  0.791335  0.441165  1
  Fe  Fe21  1  0.204202  0.897710  0.481444  1
  Fe  Fe22  1  0.486985  0.463890  0.463029  1
  Fe  Fe23  1  0.802480  0.092900  0.496874  1
  Fe  Fe24  1  0.085290  0.659094  0.478361  1
  Fe  Fe25  1  0.638534  0.765393  0.518625  1
  Fe  Fe26  1  0.921345  0.331586  0.500112  1
  Fe  Fe27  1  0.236840  0.960597  0.533957  1
  Fe  Fe28  1  0.519622  0.526776  0.515542  1
  Fe  Fe29  1  0.072875  0.633151  0.555822  1
  Fe  Fe30  1  0.355888  0.199406  0.537180  1
  Fe  Fe31  1  0.671122  0.828350  0.571141  1
  Fe  Fe32  1  0.954179  0.394598  0.552673  1
  Fe  Fe33  1  0.507444  0.500981  0.593018  1
  Fe  Fe34  1  0.790230  0.067073  0.574186  1
  Fe  Fe35  1  0.105567  0.696014  0.608369  1
  Fe  Fe36  1  0.388758  0.262522  0.589725  1
  Fe  Fe37  1  0.942398  0.369417  0.630141  1
  Fe  Fe38  1  0.224190  0.934461  0.611399  1
  Fe  Fe39  1  0.540662  0.564606  0.645661  1
  Fe  Fe40  1  0.822620  0.129931  0.626513  1
  Fe  Fe41  1  0.376151  0.236675  0.666554  1
  Fe  Fe42  1  0.658640  0.802396  0.648636  1
  Fe  Fe43  1  0.975961  0.433563  0.682450  1
  Fe  Fe44  1  0.257477  0.998354  0.663727  1
  Fe  Fe45  1  0.810953  0.105760  0.703550  1
  Fe  Fe46  1  0.093642  0.671683  0.685692  1
  Fe  Fe47  1  0.409374  0.300828  0.717638  1
  Fe  Fe48  1  0.692541  0.867905  0.700110  1
