# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59190481
_cell_length_b   10.91453059
_cell_length_c   47.66206508
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.83195450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe48
_cell_volume   1338.75830684
_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  0.045711  0.587529  0.297955  1
  Fe  Fe2  1  0.329434  0.155002  0.279976  1
  Fe  Fe3  1  0.643473  0.782803  0.312732  1
  Fe  Fe4  1  0.926663  0.349196  0.294476  1
  Fe  Fe5  1  0.481121  0.458302  0.334272  1
  Fe  Fe6  1  0.763153  0.022573  0.315564  1
  Fe  Fe7  1  0.079470  0.654842  0.349592  1
  Fe  Fe8  1  0.361547  0.219068  0.331121  1
  Fe  Fe9  1  0.916390  0.328868  0.371325  1
  Fe  Fe10  1  0.198691  0.893500  0.352485  1
  Fe  Fe11  1  0.514759  0.525452  0.386683  1
  Fe  Fe12  1  0.796827  0.089610  0.368021  1
  Fe  Fe13  1  0.351684  0.199468  0.408348  1
  Fe  Fe14  1  0.634229  0.764545  0.389776  1
  Fe  Fe15  1  0.950051  0.396051  0.423751  1
  Fe  Fe16  1  0.232383  0.960713  0.405130  1
  Fe  Fe17  1  0.787105  0.070313  0.445458  1
  Fe  Fe18  1  0.069526  0.635141  0.426912  1
  Fe  Fe19  1  0.385417  0.266789  0.460833  1
  Fe  Fe20  1  0.667805  0.831558  0.442268  1
  Fe  Fe21  1  0.222499  0.941102  0.482576  1
  Fe  Fe22  1  0.504836  0.505769  0.464014  1
  Fe  Fe23  1  0.820808  0.137575  0.497941  1
  Fe  Fe24  1  0.103150  0.702255  0.479379  1
  Fe  Fe25  1  0.657848  0.811805  0.519681  1
  Fe  Fe26  1  0.940191  0.376485  0.501119  1
  Fe  Fe27  1  0.256162  0.008291  0.535046  1
  Fe  Fe28  1  0.538500  0.572958  0.516484  1
  Fe  Fe29  1  0.093193  0.682502  0.556792  1
  Fe  Fe30  1  0.375581  0.247271  0.538226  1
  Fe  Fe31  1  0.691472  0.878919  0.572148  1
  Fe  Fe32  1  0.973893  0.443747  0.553602  1
  Fe  Fe33  1  0.528615  0.553347  0.593930  1
  Fe  Fe34  1  0.810947  0.118010  0.575309  1
  Fe  Fe35  1  0.126769  0.749515  0.609284  1
  Fe  Fe36  1  0.409314  0.314592  0.590712  1
  Fe  Fe37  1  0.964171  0.424450  0.631038  1
  Fe  Fe38  1  0.246239  0.988608  0.612376  1
  Fe  Fe39  1  0.562308  0.620560  0.646575  1
  Fe  Fe40  1  0.844608  0.185192  0.627734  1
  Fe  Fe41  1  0.399451  0.294992  0.667939  1
  Fe  Fe42  1  0.681528  0.859218  0.649468  1
  Fe  Fe43  1  0.997845  0.491487  0.683496  1
  Fe  Fe44  1  0.279877  0.055758  0.664788  1
  Fe  Fe45  1  0.834335  0.164865  0.704583  1
  Fe  Fe46  1  0.117525  0.731258  0.686328  1
  Fe  Fe47  1  0.431564  0.359058  0.719083  1
  Fe  Fe48  1  0.715287  0.926531  0.701105  1
