# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45804287
_cell_length_b   8.70681635
_cell_length_c   46.61371251
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.97394212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe64
_cell_volume   1747.88949247
_cell_formula_units_Z   64
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  0.290970  0.888074  0.280501  1
  Fe  Fe2  1  0.528018  0.374107  0.293020  1
  Fe  Fe3  1  0.739409  0.132457  0.286267  1
  Fe  Fe4  1  0.985727  0.617718  0.299011  1
  Fe  Fe5  1  0.774468  0.861496  0.305530  1
  Fe  Fe6  1  0.016452  0.352032  0.319694  1
  Fe  Fe7  1  0.225767  0.107694  0.312858  1
  Fe  Fe8  1  0.473465  0.596217  0.326118  1
  Fe  Fe9  1  0.257861  0.838254  0.333841  1
  Fe  Fe10  1  0.502833  0.327432  0.347329  1
  Fe  Fe11  1  0.713811  0.082150  0.340169  1
  Fe  Fe12  1  0.959838  0.571157  0.354129  1
  Fe  Fe13  1  0.745769  0.815074  0.361079  1
  Fe  Fe14  1  0.989247  0.302907  0.374966  1
  Fe  Fe15  1  0.203426  0.059299  0.368096  1
  Fe  Fe16  1  0.447961  0.547175  0.381918  1
  Fe  Fe17  1  0.233125  0.790877  0.389110  1
  Fe  Fe18  1  0.477064  0.278913  0.402936  1
  Fe  Fe19  1  0.691866  0.034948  0.395964  1
  Fe  Fe20  1  0.935981  0.522731  0.409878  1
  Fe  Fe21  1  0.721046  0.766713  0.416851  1
  Fe  Fe22  1  0.964980  0.254713  0.430792  1
  Fe  Fe23  1  0.179807  0.010813  0.423854  1
  Fe  Fe24  1  0.423920  0.498678  0.437752  1
  Fe  Fe25  1  0.208937  0.742541  0.444763  1
  Fe  Fe26  1  0.452933  0.230526  0.458686  1
  Fe  Fe27  1  0.667824  0.986573  0.451719  1
  Fe  Fe28  1  0.911824  0.474481  0.465655  1
  Fe  Fe29  1  0.696890  0.718401  0.472614  1
  Fe  Fe30  1  0.940860  0.206339  0.486558  1
  Fe  Fe31  1  0.155752  0.962401  0.479597  1
  Fe  Fe32  1  0.399749  0.450330  0.493526  1
  Fe  Fe33  1  0.184819  0.694227  0.500506  1
  Fe  Fe34  1  0.428816  0.182157  0.514436  1
  Fe  Fe35  1  0.643708  0.938218  0.507474  1
  Fe  Fe36  1  0.887679  0.426156  0.521418  1
  Fe  Fe37  1  0.672745  0.670076  0.528378  1
  Fe  Fe38  1  0.916744  0.157984  0.542314  1
  Fe  Fe39  1  0.131635  0.914031  0.535346  1
  Fe  Fe40  1  0.375631  0.402016  0.549269  1
  Fe  Fe41  1  0.160648  0.645879  0.556280  1
  Fe  Fe42  1  0.404761  0.133744  0.570178  1
  Fe  Fe43  1  0.619588  0.889844  0.563240  1
  Fe  Fe44  1  0.863522  0.377844  0.577182  1
  Fe  Fe45  1  0.648587  0.621826  0.584155  1
  Fe  Fe46  1  0.892702  0.109609  0.598069  1
  Fe  Fe47  1  0.107504  0.865644  0.591097  1
  Fe  Fe48  1  0.351444  0.353680  0.604922  1
  Fe  Fe49  1  0.136608  0.597382  0.612115  1
  Fe  Fe50  1  0.381142  0.085258  0.625937  1
  Fe  Fe51  1  0.595322  0.841650  0.619066  1
  Fe  Fe52  1  0.838799  0.329483  0.632954  1
  Fe  Fe53  1  0.624730  0.573401  0.639903  1
  Fe  Fe54  1  0.870757  0.062407  0.653864  1
  Fe  Fe55  1  0.081735  0.817125  0.646704  1
  Fe  Fe56  1  0.326707  0.306303  0.660191  1
  Fe  Fe57  1  0.111103  0.548340  0.667914  1
  Fe  Fe58  1  0.358801  0.036863  0.681174  1
  Fe  Fe59  1  0.568116  0.792525  0.674338  1
  Fe  Fe60  1  0.810100  0.283061  0.688502  1
  Fe  Fe61  1  0.598841  0.526839  0.695021  1
  Fe  Fe62  1  0.845159  0.012100  0.707765  1
  Fe  Fe63  1  0.056550  0.770450  0.701013  1
  Fe  Fe64  1  0.293598  0.256483  0.713531  1
