# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59154577
_cell_length_b   8.08519677
_cell_length_c   46.77091789
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.74568596
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe36
_cell_volume   967.243006035
_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  0.169349  0.665472  0.331048  1
  Fe  Fe2  1  0.931325  0.141565  0.280847  1
  Fe  Fe3  1  0.550473  0.903683  0.305362  1
  Fe  Fe4  1  0.699632  0.604068  0.285073  1
  Fe  Fe5  1  0.319501  0.364696  0.309316  1
  Fe  Fe6  1  0.939155  0.125514  0.335150  1
  Fe  Fe7  1  0.028273  0.947722  0.407986  1
  Fe  Fe8  1  0.789194  0.425824  0.356450  1
  Fe  Fe9  1  0.408657  0.186959  0.382281  1
  Fe  Fe10  1  0.558455  0.886830  0.360855  1
  Fe  Fe11  1  0.178198  0.647376  0.386512  1
  Fe  Fe12  1  0.797703  0.408402  0.412162  1
  Fe  Fe13  1  0.887042  0.230246  0.485042  1
  Fe  Fe14  1  0.647879  0.708529  0.433660  1
  Fe  Fe15  1  0.267471  0.469372  0.459338  1
  Fe  Fe16  1  0.417248  0.169321  0.437880  1
  Fe  Fe17  1  0.036846  0.930145  0.463571  1
  Fe  Fe18  1  0.656445  0.690970  0.489253  1
  Fe  Fe19  1  0.745819  0.512754  0.562105  1
  Fe  Fe20  1  0.506622  0.991104  0.510732  1
  Fe  Fe21  1  0.126221  0.751930  0.536413  1
  Fe  Fe22  1  0.276025  0.451828  0.514943  1
  Fe  Fe23  1  0.895596  0.212702  0.540647  1
  Fe  Fe24  1  0.515188  0.973546  0.566324  1
  Fe  Fe25  1  0.604611  0.795244  0.639129  1
  Fe  Fe26  1  0.365364  0.273673  0.587823  1
  Fe  Fe27  1  0.984869  0.034699  0.613472  1
  Fe  Fe28  1  0.134794  0.734352  0.591998  1
  Fe  Fe29  1  0.754410  0.495116  0.617703  1
  Fe  Fe30  1  0.373873  0.256250  0.643535  1
  Fe  Fe31  1  0.463435  0.078006  0.714912  1
  Fe  Fe32  1  0.223912  0.556561  0.664834  1
  Fe  Fe33  1  0.843565  0.317379  0.690668  1
  Fe  Fe34  1  0.993718  0.016602  0.668936  1
  Fe  Fe35  1  0.612594  0.778391  0.694622  1
  Fe  Fe36  1  0.231741  0.540509  0.719137  1
