# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49076252
_cell_length_b   10.78625498
_cell_length_c   47.57294005
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.83230965
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe48
_cell_volume   1269.01830406
_cell_formula_units_Z   48
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  0.439567  0.639883  0.295828  1
  Fe  Fe2  1  0.997805  0.220447  0.276148  1
  Fe  Fe3  1  0.160688  0.853365  0.305278  1
  Fe  Fe4  1  0.673461  0.424040  0.286523  1
  Fe  Fe5  1  0.048640  0.494827  0.332231  1
  Fe  Fe6  1  0.602974  0.071311  0.311497  1
  Fe  Fe7  1  0.835540  0.706542  0.341821  1
  Fe  Fe8  1  0.228541  0.280099  0.323117  1
  Fe  Fe9  1  0.663489  0.351271  0.369191  1
  Fe  Fe10  1  0.715688  0.924130  0.350161  1
  Fe  Fe11  1  0.425833  0.563286  0.378771  1
  Fe  Fe12  1  0.398134  0.132038  0.359660  1
  Fe  Fe13  1  1.013388  0.209484  0.405469  1
  Fe  Fe14  1  0.257977  0.779023  0.387326  1
  Fe  Fe15  1  0.957647  0.426253  0.415970  1
  Fe  Fe16  1  0.083057  0.991137  0.397249  1
  Fe  Fe17  1  0.531966  0.070590  0.442410  1
  Fe  Fe18  1  0.802548  0.640228  0.424723  1
  Fe  Fe19  1  0.437481  0.286643  0.451861  1
  Fe  Fe20  1  0.644624  0.853535  0.433814  1
  Fe  Fe21  1  0.059309  0.932415  0.479164  1
  Fe  Fe22  1  0.331564  0.502097  0.461902  1
  Fe  Fe23  1  0.945752  0.148085  0.488538  1
  Fe  Fe24  1  0.189723  0.716499  0.470738  1
  Fe  Fe25  1  0.596047  0.794853  0.516137  1
  Fe  Fe26  1  0.840017  0.363267  0.498337  1
  Fe  Fe27  1  0.454206  0.009256  0.524973  1
  Fe  Fe28  1  0.726460  0.578937  0.507711  1
  Fe  Fe29  1  0.141146  0.657817  0.553061  1
  Fe  Fe30  1  0.348288  0.224710  0.535014  1
  Fe  Fe31  1  0.983221  0.871125  0.562152  1
  Fe  Fe32  1  0.253803  0.440763  0.544465  1
  Fe  Fe33  1  0.702713  0.520215  0.589626  1
  Fe  Fe34  1  0.828123  0.085099  0.570905  1
  Fe  Fe35  1  0.527793  0.732329  0.599549  1
  Fe  Fe36  1  0.772381  0.301868  0.581406  1
  Fe  Fe37  1  0.387635  0.379314  0.627214  1
  Fe  Fe38  1  0.359936  0.948066  0.608104  1
  Fe  Fe39  1  0.070081  0.587223  0.636714  1
  Fe  Fe40  1  0.122280  0.160082  0.617684  1
  Fe  Fe41  1  0.557228  0.231253  0.663757  1
  Fe  Fe42  1  0.950229  0.804810  0.645054  1
  Fe  Fe43  1  0.182795  0.440042  0.675378  1
  Fe  Fe44  1  0.737129  0.016526  0.654644  1
  Fe  Fe45  1  0.112308  0.087313  0.700352  1
  Fe  Fe46  1  0.625081  0.657988  0.681597  1
  Fe  Fe47  1  0.787965  0.290905  0.710727  1
  Fe  Fe48  1  0.346202  0.871470  0.691046  1
