# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.36518146
_cell_length_b   4.62007449
_cell_length_c   69.43005949
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe28
_cell_volume   719.750931385
_cell_formula_units_Z   28
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  0.912707  0.572140  0.116806  1
  Fe  Fe2  1  0.915039  0.072186  0.131565  1
  Fe  Fe3  1  0.410368  0.572847  0.148343  1
  Fe  Fe4  1  0.421638  0.072527  0.163766  1
  Fe  Fe5  1  0.892921  0.575685  0.180030  1
  Fe  Fe6  1  0.999181  0.071759  0.196589  1
  Fe  Fe7  1  1.105068  0.567038  0.213451  1
  Fe  Fe8  1  0.576505  0.069664  0.229336  1
  Fe  Fe9  1  0.586583  0.568906  0.245289  1
  Fe  Fe10  1  1.082402  0.069270  0.261305  1
  Fe  Fe11  1  1.083917  0.569178  0.277139  1
  Fe  Fe12  1  0.583267  0.069239  0.293217  1
  Fe  Fe13  1  0.583505  0.569226  0.309013  1
  Fe  Fe14  1  1.083390  0.069237  0.325111  1
  Fe  Fe15  1  1.083461  0.569234  0.340899  1
  Fe  Fe16  1  0.583346  0.069245  0.356998  1
  Fe  Fe17  1  0.583583  0.569232  0.372794  1
  Fe  Fe18  1  1.082933  0.069292  0.388872  1
  Fe  Fe19  1  1.084449  0.569201  0.404706  1
  Fe  Fe20  1  0.580268  0.069565  0.420722  1
  Fe  Fe21  1  0.590345  0.568807  0.436675  1
  Fe  Fe22  1  1.061782  0.071433  0.452560  1
  Fe  Fe23  1  1.167669  0.566712  0.469422  1
  Fe  Fe24  1  0.273929  0.062786  0.485981  1
  Fe  Fe25  1  0.745212  0.565944  0.502245  1
  Fe  Fe26  1  0.756482  0.065624  0.517668  1
  Fe  Fe27  1  0.251811  0.566284  0.534446  1
  Fe  Fe28  1  0.254143  0.066331  0.549205  1
