# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83142634
_cell_length_b   10.35465807
_cell_length_c   47.85680736
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe54
_cell_volume   1403.08749047
_cell_formula_units_Z   54
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  0.506096  0.178392  0.320469  1
  Fe  Fe2  1  0.506096  0.957620  0.285834  1
  Fe  Fe3  1  0.506096  0.565972  0.302116  1
  Fe  Fe4  1  1.006096  0.369158  0.309581  1
  Fe  Fe5  1  1.006096  0.151411  0.279764  1
  Fe  Fe6  1  1.006096  0.761210  0.293912  1
  Fe  Fe7  1  0.506096  0.025370  0.369197  1
  Fe  Fe8  1  0.506096  0.794922  0.335287  1
  Fe  Fe9  1  0.506096  0.410062  0.351527  1
  Fe  Fe10  1  1.006096  0.218846  0.361325  1
  Fe  Fe11  1  1.006096  0.986948  0.327396  1
  Fe  Fe12  1  1.006096  0.602335  0.343373  1
  Fe  Fe13  1  0.506096  0.871051  0.418894  1
  Fe  Fe14  1  0.506096  0.640350  0.385249  1
  Fe  Fe15  1  0.506096  0.256598  0.402692  1
  Fe  Fe16  1  1.006096  0.063755  0.410852  1
  Fe  Fe17  1  1.006096  0.832723  0.377124  1
  Fe  Fe18  1  1.006096  0.448307  0.393613  1
  Fe  Fe19  1  0.506096  0.716868  0.468876  1
  Fe  Fe20  1  0.506096  0.486533  0.435527  1
  Fe  Fe21  1  0.506096  0.101954  0.452521  1
  Fe  Fe22  1  1.006096  0.909315  0.460634  1
  Fe  Fe23  1  1.006096  0.678627  0.427085  1
  Fe  Fe24  1  1.006096  0.294552  0.444265  1
  Fe  Fe25  1  0.506096  0.562942  0.519193  1
  Fe  Fe26  1  0.506096  0.332641  0.485944  1
  Fe  Fe27  1  0.506096  0.947533  0.502349  1
  Fe  Fe28  1  1.006096  0.755042  0.510618  1
  Fe  Fe29  1  1.006096  0.524741  0.477369  1
  Fe  Fe30  1  1.006096  0.140150  0.494212  1
  Fe  Fe31  1  0.506096  0.409056  0.569477  1
  Fe  Fe32  1  0.506096  0.178369  0.535928  1
  Fe  Fe33  1  0.506096  0.793131  0.552296  1
  Fe  Fe34  1  1.006096  0.601150  0.561035  1
  Fe  Fe35  1  1.006096  0.370815  0.527686  1
  Fe  Fe36  1  1.006096  0.985729  0.544041  1
  Fe  Fe37  1  0.506096  0.254960  0.619437  1
  Fe  Fe38  1  0.506096  0.023929  0.585710  1
  Fe  Fe39  1  0.506096  0.639376  0.602949  1
  Fe  Fe40  1  1.006096  0.447333  0.611313  1
  Fe  Fe41  1  1.006096  0.216632  0.577667  1
  Fe  Fe42  1  1.006096  0.831086  0.593869  1
  Fe  Fe43  1  0.506096  0.100735  0.669166  1
  Fe  Fe44  1  0.506096  0.868837  0.635237  1
  Fe  Fe45  1  0.506096  0.485348  0.653188  1
  Fe  Fe46  1  1.006096  0.292762  0.661274  1
  Fe  Fe47  1  1.006096  0.062313  0.627365  1
  Fe  Fe48  1  1.006096  0.677622  0.645034  1
  Fe  Fe49  1  0.506096  0.936272  0.716797  1
  Fe  Fe50  1  0.506096  0.718525  0.686981  1
  Fe  Fe51  1  0.506096  0.326473  0.702650  1
  Fe  Fe52  1  1.006096  0.130063  0.710728  1
  Fe  Fe53  1  1.006096  0.909291  0.676093  1
  Fe  Fe54  1  1.006096  0.521711  0.694446  1
