# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56777179
_cell_length_b   8.00479402
_cell_length_c   50.17993295
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.66515215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe36
_cell_volume   1017.76376601
_cell_formula_units_Z   36
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  0.144124  0.735078  0.337233  1
  Fe  Fe2  1  0.907683  0.211759  0.290649  1
  Fe  Fe3  1  0.528226  0.971490  0.312629  1
  Fe  Fe4  1  0.674916  0.671547  0.294644  1
  Fe  Fe5  1  0.295702  0.432882  0.316935  1
  Fe  Fe6  1  0.914132  0.191655  0.341054  1
  Fe  Fe7  1  1.005380  0.011139  0.408264  1
  Fe  Fe8  1  0.765470  0.492804  0.360253  1
  Fe  Fe9  1  0.384383  0.253403  0.384549  1
  Fe  Fe10  1  0.534348  0.953508  0.364674  1
  Fe  Fe11  1  0.155188  0.710644  0.388584  1
  Fe  Fe12  1  0.775189  0.470993  0.412449  1
  Fe  Fe13  1  0.866256  0.288689  0.479905  1
  Fe  Fe14  1  0.625529  0.770851  0.432198  1
  Fe  Fe15  1  0.246020  0.529493  0.456037  1
  Fe  Fe16  1  0.395580  0.229271  0.436295  1
  Fe  Fe17  1  0.015904  0.988657  0.460205  1
  Fe  Fe18  1  0.636343  0.747497  0.484043  1
  Fe  Fe19  1  0.727352  0.565937  0.551541  1
  Fe  Fe20  1  0.486589  0.047711  0.503793  1
  Fe  Fe21  1  0.107028  0.806551  0.527631  1
  Fe  Fe22  1  0.256676  0.506519  0.507932  1
  Fe  Fe23  1  0.876912  0.265715  0.531800  1
  Fe  Fe24  1  0.497403  0.024357  0.555638  1
  Fe  Fe25  1  0.588584  0.841700  0.623162  1
  Fe  Fe26  1  0.347743  0.324215  0.575387  1
  Fe  Fe27  1  0.967744  0.084564  0.599252  1
  Fe  Fe28  1  0.117552  0.784069  0.579572  1
  Fe  Fe29  1  0.738549  0.541805  0.603288  1
  Fe  Fe30  1  0.357462  0.302404  0.627584  1
  Fe  Fe31  1  0.448016  0.123661  0.693192  1
  Fe  Fe32  1  0.208799  0.603553  0.646782  1
  Fe  Fe33  1  0.827230  0.362326  0.670902  1
  Fe  Fe34  1  0.978808  0.060130  0.650604  1
  Fe  Fe35  1  0.594706  0.823718  0.675208  1
  Fe  Fe36  1  0.215248  0.583449  0.697187  1
