# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82342538
_cell_length_b   9.05108969
_cell_length_c   49.39749028
_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   1262.35663662
_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  0.507628  0.002159  0.283164  1
  Fe  Fe2  1  0.507628  0.588235  0.320699  1
  Fe  Fe3  1  0.507628  0.287769  0.299837  1
  Fe  Fe4  1  0.007628  0.088235  0.320699  1
  Fe  Fe5  1  0.007628  0.787769  0.299837  1
  Fe  Fe6  1  0.007628  0.502159  0.283164  1
  Fe  Fe7  1  0.507628  0.885874  0.337296  1
  Fe  Fe8  1  0.507628  0.486254  0.374831  1
  Fe  Fe9  1  0.507628  0.188668  0.356838  1
  Fe  Fe10  1  1.007628  0.986254  0.374831  1
  Fe  Fe11  1  0.007628  0.688668  0.356838  1
  Fe  Fe12  1  0.007628  0.385874  0.337296  1
  Fe  Fe13  1  0.507628  0.786833  0.393694  1
  Fe  Fe14  1  0.507628  0.385745  0.430666  1
  Fe  Fe15  1  0.507628  0.085831  0.412017  1
  Fe  Fe16  1  0.007628  0.885745  0.430666  1
  Fe  Fe17  1  1.007628  0.585831  0.412017  1
  Fe  Fe18  1  1.007628  0.286833  0.393694  1
  Fe  Fe19  1  0.507628  0.685091  0.449118  1
  Fe  Fe20  1  0.507628  0.284258  0.486184  1
  Fe  Fe21  1  0.507628  0.984794  0.467692  1
  Fe  Fe22  1  1.007628  0.784258  0.486184  1
  Fe  Fe23  1  1.007628  0.484794  0.467692  1
  Fe  Fe24  1  0.007628  0.185091  0.449118  1
  Fe  Fe25  1  0.507628  0.583909  0.504741  1
  Fe  Fe26  1  0.507628  0.183076  0.541807  1
  Fe  Fe27  1  0.507628  0.883373  0.523233  1
  Fe  Fe28  1  1.007628  0.683076  0.541807  1
  Fe  Fe29  1  1.007628  0.383373  0.523233  1
  Fe  Fe30  1  1.007628  0.083909  0.504741  1
  Fe  Fe31  1  0.507628  0.482422  0.560259  1
  Fe  Fe32  1  0.507628  0.081334  0.597231  1
  Fe  Fe33  1  0.507628  0.782336  0.578908  1
  Fe  Fe34  1  1.007628  0.581334  0.597231  1
  Fe  Fe35  1  1.007628  0.282336  0.578908  1
  Fe  Fe36  1  1.007628  0.982422  0.560259  1
  Fe  Fe37  1  0.507628  0.381913  0.616094  1
  Fe  Fe38  1  0.507628  0.982293  0.653629  1
  Fe  Fe39  1  0.507628  0.679499  0.634087  1
  Fe  Fe40  1  0.007628  0.482293  0.653629  1
  Fe  Fe41  1  1.007628  0.179499  0.634087  1
  Fe  Fe42  1  1.007628  0.881913  0.616094  1
  Fe  Fe43  1  0.507628  0.279932  0.670226  1
  Fe  Fe44  1  0.507628  0.866008  0.707761  1
  Fe  Fe45  1  0.507628  0.580398  0.691088  1
  Fe  Fe46  1  0.007628  0.366008  0.707761  1
  Fe  Fe47  1  0.007628  0.080398  0.691088  1
  Fe  Fe48  1  0.007628  0.779932  0.670226  1
