# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56776020
_cell_length_b   8.00384126
_cell_length_c   50.18283425
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.33484785
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe36
_cell_volume   1017.69687091
_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  0.876542  0.735087  0.337194  1
  Fe  Fe2  1  0.113070  0.211804  0.290614  1
  Fe  Fe3  1  0.492498  0.971506  0.312592  1
  Fe  Fe4  1  0.345744  0.671539  0.294606  1
  Fe  Fe5  1  0.725002  0.432898  0.316907  1
  Fe  Fe6  1  0.106434  0.191649  0.341019  1
  Fe  Fe7  1  0.015251  0.011182  0.408230  1
  Fe  Fe8  1  0.255212  0.492816  0.360224  1
  Fe  Fe9  1  0.636233  0.253422  0.384514  1
  Fe  Fe10  1  0.486272  0.953501  0.364642  1
  Fe  Fe11  1  0.865462  0.710662  0.388552  1
  Fe  Fe12  1  0.245440  0.471004  0.412420  1
  Fe  Fe13  1  0.154371  0.288756  0.479874  1
  Fe  Fe14  1  0.395112  0.770897  0.432165  1
  Fe  Fe15  1  0.774616  0.529555  0.456005  1
  Fe  Fe16  1  0.625030  0.229298  0.436267  1
  Fe  Fe17  1  1.004713  0.988688  0.460177  1
  Fe  Fe18  1  0.384273  0.747541  0.484016  1
  Fe  Fe19  1  0.293278  0.566030  0.551513  1
  Fe  Fe20  1  0.534036  0.047787  0.503763  1
  Fe  Fe21  1  0.913595  0.806640  0.527603  1
  Fe  Fe22  1  0.763937  0.506572  0.507905  1
  Fe  Fe23  1  0.143692  0.265774  0.531774  1
  Fe  Fe24  1  0.523197  0.024431  0.555614  1
  Fe  Fe25  1  0.432037  0.841827  0.623137  1
  Fe  Fe26  1  0.672869  0.324324  0.575360  1
  Fe  Fe27  1  0.052846  0.084666  0.599228  1
  Fe  Fe28  1  0.903058  0.784146  0.579549  1
  Fe  Fe29  1  0.282076  0.541907  0.603265  1
  Fe  Fe30  1  0.663097  0.302512  0.627556  1
  Fe  Fe31  1  0.572564  0.123789  0.693174  1
  Fe  Fe32  1  0.811875  0.603679  0.646760  1
  Fe  Fe33  1  0.193307  0.362430  0.670872  1
  Fe  Fe34  1  0.041767  0.060241  0.650585  1
  Fe  Fe35  1  0.425810  0.823823  0.675187  1
  Fe  Fe36  1  0.805238  0.583524  0.697165  1
