# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49336895
_cell_length_b   9.26681155
_cell_length_c   52.49614924
_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   1212.95398681
_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  0.573521  0.935936  0.258238  1
  Fe  Fe2  1  0.573521  0.542424  0.295902  1
  Fe  Fe3  1  0.573521  0.197441  0.263251  1
  Fe  Fe4  1  0.073521  0.042424  0.295902  1
  Fe  Fe5  1  0.073521  0.697441  0.263251  1
  Fe  Fe6  1  0.073521  0.435936  0.258238  1
  Fe  Fe7  1  0.573521  0.808963  0.299999  1
  Fe  Fe8  1  0.573521  0.419266  0.337913  1
  Fe  Fe9  1  0.573521  0.154049  0.332462  1
  Fe  Fe10  1  0.073521  0.919266  0.337913  1
  Fe  Fe11  1  0.073521  0.654049  0.332462  1
  Fe  Fe12  1  0.073521  0.308963  0.299999  1
  Fe  Fe13  1  0.573521  0.763110  0.369682  1
  Fe  Fe14  1  0.573521  0.373165  0.406703  1
  Fe  Fe15  1  0.573521  0.029825  0.375093  1
  Fe  Fe16  1  0.073521  0.873165  0.406703  1
  Fe  Fe17  1  0.073521  0.529825  0.375093  1
  Fe  Fe18  1  0.073521  0.263110  0.369682  1
  Fe  Fe19  1  0.573521  0.639829  0.412302  1
  Fe  Fe20  1  0.573521  0.249796  0.449419  1
  Fe  Fe21  1  0.573521  0.982944  0.443801  1
  Fe  Fe22  1  0.073521  0.749796  0.449419  1
  Fe  Fe23  1  0.073521  0.482944  0.443801  1
  Fe  Fe24  1  0.073521  0.139829  0.412302  1
  Fe  Fe25  1  0.573521  0.592839  0.480900  1
  Fe  Fe26  1  0.573521  0.202805  0.518018  1
  Fe  Fe27  1  0.573521  0.859690  0.486519  1
  Fe  Fe28  1  0.073521  0.702805  0.518018  1
  Fe  Fe29  1  0.073521  0.359690  0.486519  1
  Fe  Fe30  1  0.073521  0.092839  0.480900  1
  Fe  Fe31  1  0.573521  0.469470  0.523616  1
  Fe  Fe32  1  0.573521  0.079525  0.560638  1
  Fe  Fe33  1  0.573521  0.812809  0.555227  1
  Fe  Fe34  1  0.073521  0.579525  0.560638  1
  Fe  Fe35  1  0.073521  0.312809  0.555227  1
  Fe  Fe36  1  0.073521  0.969470  0.523616  1
  Fe  Fe37  1  0.573521  0.423369  0.592407  1
  Fe  Fe38  1  0.573521  0.033672  0.630321  1
  Fe  Fe39  1  0.573521  0.688585  0.597857  1
  Fe  Fe40  1  0.073521  0.533672  0.630321  1
  Fe  Fe41  1  0.073521  0.188585  0.597857  1
  Fe  Fe42  1  0.073521  0.923369  0.592407  1
  Fe  Fe43  1  0.573521  0.300211  0.634417  1
  Fe  Fe44  1  0.573521  0.906698  0.672081  1
  Fe  Fe45  1  0.573521  0.645194  0.667069  1
  Fe  Fe46  1  0.073521  0.406698  0.672081  1
  Fe  Fe47  1  0.073521  0.145194  0.667069  1
  Fe  Fe48  1  0.073521  0.800211  0.634417  1
