# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82663269
_cell_length_b   9.00474818
_cell_length_c   49.08167961
_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   Fe48
_cell_volume   1249.28166188
_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  0.505075  0.903561  0.330640  1
  Fe  Fe2  1  0.505075  0.607281  0.312964  1
  Fe  Fe3  1  0.505075  0.310702  0.292384  1
  Fe  Fe4  1  0.005075  0.100562  0.310041  1
  Fe  Fe5  1  0.005075  0.807596  0.292854  1
  Fe  Fe6  1  0.005075  0.522241  0.275291  1
  Fe  Fe7  1  0.505075  0.804474  0.385963  1
  Fe  Fe8  1  0.505075  0.502773  0.367075  1
  Fe  Fe9  1  0.505075  0.202524  0.347589  1
  Fe  Fe10  1  0.005075  0.004938  0.367053  1
  Fe  Fe11  1  0.005075  0.705090  0.349242  1
  Fe  Fe12  1  0.005075  0.403760  0.329774  1
  Fe  Fe13  1  0.505075  0.702308  0.441157  1
  Fe  Fe14  1  0.505075  0.401962  0.422382  1
  Fe  Fe15  1  0.505075  0.103316  0.404060  1
  Fe  Fe16  1  0.005075  0.903382  0.422817  1
  Fe  Fe17  1  0.005075  0.602784  0.404119  1
  Fe  Fe18  1  0.005075  0.302022  0.385119  1
  Fe  Fe19  1  0.505075  0.601021  0.496602  1
  Fe  Fe20  1  0.505075  0.301712  0.478173  1
  Fe  Fe21  1  0.505075  0.002439  0.459785  1
  Fe  Fe22  1  0.005075  0.801685  0.478191  1
  Fe  Fe23  1  0.005075  0.501604  0.459523  1
  Fe  Fe24  1  0.005075  0.202426  0.441110  1
  Fe  Fe25  1  0.505075  0.500304  0.552303  1
  Fe  Fe26  1  0.505075  0.201126  0.533890  1
  Fe  Fe27  1  0.505075  0.901044  0.515222  1
  Fe  Fe28  1  0.005075  0.700291  0.533628  1
  Fe  Fe29  1  0.005075  0.401018  0.515240  1
  Fe  Fe30  1  0.005075  0.101708  0.496811  1
  Fe  Fe31  1  0.505075  0.400708  0.608294  1
  Fe  Fe32  1  0.505075  0.099946  0.589294  1
  Fe  Fe33  1  0.505075  0.799348  0.570596  1
  Fe  Fe34  1  0.005075  0.599414  0.589353  1
  Fe  Fe35  1  0.005075  0.300768  0.571031  1
  Fe  Fe36  1  0.005075  1.000422  0.552256  1
  Fe  Fe37  1  0.505075  0.298969  0.663639  1
  Fe  Fe38  1  0.505075  0.997639  0.644171  1
  Fe  Fe39  1  0.505075  0.697792  0.626360  1
  Fe  Fe40  1  0.005075  0.500206  0.645824  1
  Fe  Fe41  1  0.005075  0.199957  0.626338  1
  Fe  Fe42  1  0.005075  0.898256  0.607450  1
  Fe  Fe43  1  0.505075  0.180489  0.718122  1
  Fe  Fe44  1  0.505075  0.895133  0.700559  1
  Fe  Fe45  1  0.505075  0.602168  0.683372  1
  Fe  Fe46  1  0.005075  0.392028  0.701029  1
  Fe  Fe47  1  0.005075  0.095449  0.680449  1
  Fe  Fe48  1  0.005075  0.799169  0.662773  1
