# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45804321
_cell_length_b   8.70627830
_cell_length_c   46.62212751
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.97393428
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe64
_cell_volume   1748.09719782
_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  0.290985  0.888117  0.280439  1
  Fe  Fe2  1  0.528018  0.374155  0.292957  1
  Fe  Fe3  1  0.739438  0.132505  0.286206  1
  Fe  Fe4  1  0.985757  0.617757  0.298948  1
  Fe  Fe5  1  0.774481  0.861537  0.305465  1
  Fe  Fe6  1  0.016459  0.352074  0.319629  1
  Fe  Fe7  1  0.225791  0.107736  0.312793  1
  Fe  Fe8  1  0.473493  0.596260  0.326052  1
  Fe  Fe9  1  0.257874  0.838299  0.333771  1
  Fe  Fe10  1  0.502846  0.327475  0.347258  1
  Fe  Fe11  1  0.713840  0.082194  0.340100  1
  Fe  Fe12  1  0.959867  0.571200  0.354059  1
  Fe  Fe13  1  0.745782  0.815118  0.361007  1
  Fe  Fe14  1  0.989258  0.302948  0.374893  1
  Fe  Fe15  1  0.203455  0.059340  0.368023  1
  Fe  Fe16  1  0.447988  0.547216  0.381844  1
  Fe  Fe17  1  0.233138  0.790918  0.389035  1
  Fe  Fe18  1  0.477076  0.278952  0.402859  1
  Fe  Fe19  1  0.691893  0.034988  0.395888  1
  Fe  Fe20  1  0.936007  0.522770  0.409800  1
  Fe  Fe21  1  0.721058  0.766752  0.416771  1
  Fe  Fe22  1  0.964991  0.254750  0.430711  1
  Fe  Fe23  1  0.179833  0.010850  0.423774  1
  Fe  Fe24  1  0.423944  0.498714  0.437670  1
  Fe  Fe25  1  0.208949  0.742577  0.444680  1
  Fe  Fe26  1  0.452944  0.230561  0.458602  1
  Fe  Fe27  1  0.667848  0.986608  0.451635  1
  Fe  Fe28  1  0.911847  0.474515  0.465569  1
  Fe  Fe29  1  0.696900  0.718435  0.472528  1
  Fe  Fe30  1  0.940869  0.206372  0.486470  1
  Fe  Fe31  1  0.155775  0.962433  0.479509  1
  Fe  Fe32  1  0.399771  0.450362  0.493437  1
  Fe  Fe33  1  0.184828  0.694259  0.500416  1
  Fe  Fe34  1  0.428824  0.182187  0.514344  1
  Fe  Fe35  1  0.643730  0.938249  0.507383  1
  Fe  Fe36  1  0.887700  0.426185  0.521325  1
  Fe  Fe37  1  0.672753  0.670105  0.528284  1
  Fe  Fe38  1  0.916751  0.158012  0.542218  1
  Fe  Fe39  1  0.131655  0.914059  0.535251  1
  Fe  Fe40  1  0.375651  0.402043  0.549173  1
  Fe  Fe41  1  0.160656  0.645906  0.556183  1
  Fe  Fe42  1  0.404767  0.133770  0.570079  1
  Fe  Fe43  1  0.619609  0.889871  0.563141  1
  Fe  Fe44  1  0.863541  0.377869  0.577081  1
  Fe  Fe45  1  0.648592  0.621851  0.584053  1
  Fe  Fe46  1  0.892707  0.109633  0.597965  1
  Fe  Fe47  1  0.107523  0.865668  0.590994  1
  Fe  Fe48  1  0.351461  0.353702  0.604818  1
  Fe  Fe49  1  0.136612  0.597405  0.612009  1
  Fe  Fe50  1  0.381145  0.085280  0.625829  1
  Fe  Fe51  1  0.595341  0.841672  0.618960  1
  Fe  Fe52  1  0.838817  0.329503  0.632846  1
  Fe  Fe53  1  0.624733  0.573420  0.639794  1
  Fe  Fe54  1  0.870759  0.062426  0.653753  1
  Fe  Fe55  1  0.081754  0.817145  0.646594  1
  Fe  Fe56  1  0.326725  0.306321  0.660081  1
  Fe  Fe57  1  0.111107  0.548361  0.667800  1
  Fe  Fe58  1  0.358808  0.036884  0.681059  1
  Fe  Fe59  1  0.568140  0.792546  0.674224  1
  Fe  Fe60  1  0.810119  0.283083  0.688388  1
  Fe  Fe61  1  0.598842  0.526864  0.694905  1
  Fe  Fe62  1  0.845162  0.012115  0.707647  1
  Fe  Fe63  1  0.056582  0.770465  0.700896  1
  Fe  Fe64  1  0.293614  0.256503  0.713413  1
