# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09344269
_cell_length_b   4.20884068
_cell_length_c   71.33392459
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304098
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe44
_cell_volume   1204.15650206
_cell_formula_units_Z   44
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  0.221649  0.244843  0.113933  1
  Fe  Fe2  1  0.795111  0.777214  0.113933  1
  Fe  Fe3  1  0.722674  0.260431  0.133874  1
  Fe  Fe4  1  0.294086  0.761626  0.133874  1
  Fe  Fe5  1  0.223053  0.255698  0.153186  1
  Fe  Fe6  1  0.793707  0.766359  0.153186  1
  Fe  Fe7  1  0.723234  0.256394  0.172891  1
  Fe  Fe8  1  0.293526  0.765663  0.172891  1
  Fe  Fe9  1  0.793497  0.765638  0.192508  1
  Fe  Fe10  1  0.223263  0.256420  0.192508  1
  Fe  Fe11  1  0.293463  0.765694  0.212146  1
  Fe  Fe12  1  0.723297  0.256364  0.212146  1
  Fe  Fe13  1  0.793450  0.765660  0.231779  1
  Fe  Fe14  1  0.223310  0.256397  0.231779  1
  Fe  Fe15  1  0.293442  0.765672  0.251413  1
  Fe  Fe16  1  0.723318  0.256386  0.251413  1
  Fe  Fe17  1  0.793438  0.765667  0.271046  1
  Fe  Fe18  1  0.223321  0.256390  0.271046  1
  Fe  Fe19  1  0.293436  0.765668  0.290680  1
  Fe  Fe20  1  0.723323  0.256389  0.290680  1
  Fe  Fe21  1  0.793436  0.765668  0.310313  1
  Fe  Fe22  1  0.223324  0.256390  0.310313  1
  Fe  Fe23  1  0.293436  0.765668  0.329947  1
  Fe  Fe24  1  0.723324  0.256390  0.329947  1
  Fe  Fe25  1  0.793436  0.765668  0.349581  1
  Fe  Fe26  1  0.223323  0.256389  0.349581  1
  Fe  Fe27  1  0.293438  0.765667  0.369214  1
  Fe  Fe28  1  0.723321  0.256390  0.369214  1
  Fe  Fe29  1  0.793442  0.765672  0.388848  1
  Fe  Fe30  1  0.223318  0.256386  0.388848  1
  Fe  Fe31  1  0.293450  0.765660  0.408482  1
  Fe  Fe32  1  0.723310  0.256397  0.408482  1
  Fe  Fe33  1  0.793463  0.765694  0.428115  1
  Fe  Fe34  1  0.223297  0.256364  0.428115  1
  Fe  Fe35  1  0.293497  0.765638  0.447752  1
  Fe  Fe36  1  0.723263  0.256420  0.447752  1
  Fe  Fe37  1  0.223234  0.256394  0.467369  1
  Fe  Fe38  1  0.793526  0.765663  0.467369  1
  Fe  Fe39  1  0.723053  0.255698  0.487075  1
  Fe  Fe40  1  0.293707  0.766359  0.487075  1
  Fe  Fe41  1  0.222674  0.260431  0.506386  1
  Fe  Fe42  1  0.794086  0.761626  0.506386  1
  Fe  Fe43  1  0.721649  0.244843  0.526328  1
  Fe  Fe44  1  0.295111  0.777214  0.526328  1
