# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58095178
_cell_length_b   8.71980304
_cell_length_c   48.08071435
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.57915001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe40
_cell_volume   1069.96765425
_cell_formula_units_Z   40
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  0.833727  0.662685  0.306943  1
  Fe  Fe2  1  0.599796  0.196881  0.285008  1
  Fe  Fe3  1  0.461363  0.917557  0.302757  1
  Fe  Fe4  1  0.227638  0.451122  0.281701  1
  Fe  Fe5  1  0.300140  0.595080  0.352095  1
  Fe  Fe6  1  0.065698  0.127533  0.329380  1
  Fe  Fe7  1  0.928361  0.850750  0.348087  1
  Fe  Fe8  1  0.694155  0.383764  0.326055  1
  Fe  Fe9  1  0.766164  0.526125  0.397699  1
  Fe  Fe10  1  0.532799  0.060082  0.374912  1
  Fe  Fe11  1  0.394452  0.782001  0.393742  1
  Fe  Fe12  1  0.160886  0.315922  0.371126  1
  Fe  Fe13  1  0.232499  0.457469  0.443277  1
  Fe  Fe14  1  0.999258  0.991650  0.420482  1
  Fe  Fe15  1  0.860758  0.713373  0.439353  1
  Fe  Fe16  1  0.627484  0.247574  0.416613  1
  Fe  Fe17  1  0.698870  0.388872  0.488846  1
  Fe  Fe18  1  0.465662  0.923125  0.466056  1
  Fe  Fe19  1  0.327123  0.644785  0.484937  1
  Fe  Fe20  1  0.093907  0.179038  0.462160  1
  Fe  Fe21  1  0.165262  0.320308  0.534410  1
  Fe  Fe22  1  0.932047  0.854560  0.511632  1
  Fe  Fe23  1  0.793507  0.576221  0.530513  1
  Fe  Fe24  1  0.560300  0.110474  0.507724  1
  Fe  Fe25  1  0.631686  0.251771  0.579956  1
  Fe  Fe26  1  0.398411  0.785973  0.557216  1
  Fe  Fe27  1  0.259912  0.507696  0.576088  1
  Fe  Fe28  1  0.026671  0.041876  0.553292  1
  Fe  Fe29  1  0.098283  0.183423  0.625443  1
  Fe  Fe30  1  0.864718  0.717344  0.602827  1
  Fe  Fe31  1  0.726371  0.439264  0.621657  1
  Fe  Fe32  1  0.493006  0.973220  0.598870  1
  Fe  Fe33  1  0.565014  0.115581  0.670514  1
  Fe  Fe34  1  0.330809  0.648595  0.648482  1
  Fe  Fe35  1  0.193471  0.371812  0.667189  1
  Fe  Fe36  1  0.959030  0.904266  0.644475  1
  Fe  Fe37  1  0.031532  0.048223  0.714868  1
  Fe  Fe38  1  0.797807  0.581789  0.693812  1
  Fe  Fe39  1  0.659373  0.302464  0.711561  1
  Fe  Fe40  1  0.425442  0.836660  0.689627  1
