# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05924096
_cell_length_b   9.13512253
_cell_length_c   47.54416877
_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   Fe66
_cell_volume   1763.01687093
_cell_formula_units_Z   66
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  0.760598  0.121792  0.308523  1
  Fe  Fe2  1  0.760598  0.866618  0.294822  1
  Fe  Fe3  1  0.760598  0.603265  0.282794  1
  Fe  Fe4  1  0.260598  0.232048  0.288793  1
  Fe  Fe5  1  0.260598  0.745124  0.313050  1
  Fe  Fe6  1  0.260598  0.489048  0.301819  1
  Fe  Fe7  1  0.760598  0.889845  0.346787  1
  Fe  Fe8  1  0.760598  0.633280  0.334191  1
  Fe  Fe9  1  0.760598  0.375965  0.320525  1
  Fe  Fe10  1  0.260598  1.002722  0.325810  1
  Fe  Fe11  1  0.260598  0.516205  0.353336  1
  Fe  Fe12  1  0.260598  0.260025  0.340529  1
  Fe  Fe13  1  0.760598  0.659272  0.386224  1
  Fe  Fe14  1  0.760598  0.402527  0.373214  1
  Fe  Fe15  1  0.760598  0.146204  0.360140  1
  Fe  Fe16  1  0.260598  0.772707  0.365009  1
  Fe  Fe17  1  0.260598  0.285541  0.392240  1
  Fe  Fe18  1  0.260598  0.029436  0.377809  1
  Fe  Fe19  1  0.760598  0.440343  0.426358  1
  Fe  Fe20  1  0.760598  0.179221  0.412744  1
  Fe  Fe21  1  0.760598  0.918544  0.399399  1
  Fe  Fe22  1  0.260598  0.538448  0.405337  1
  Fe  Fe23  1  0.260598  0.035412  0.428211  1
  Fe  Fe24  1  0.260598  0.787227  0.415711  1
  Fe  Fe25  1  0.760598  0.309103  0.470678  1
  Fe  Fe26  1  0.760598  0.025866  0.455360  1
  Fe  Fe27  1  0.760598  0.711539  0.439315  1
  Fe  Fe28  1  0.260598  0.278455  0.443620  1
  Fe  Fe29  1  0.260598  0.811826  0.467382  1
  Fe  Fe30  1  0.260598  0.539521  0.456255  1
  Fe  Fe31  1  0.760598  0.135682  0.510338  1
  Fe  Fe32  1  0.760598  0.856199  0.494791  1
  Fe  Fe33  1  0.760598  0.580540  0.483340  1
  Fe  Fe34  1  0.260598  0.090967  0.482617  1
  Fe  Fe35  1  0.260598  0.646110  0.509615  1
  Fe  Fe36  1  0.260598  0.370450  0.498165  1
  Fe  Fe37  1  0.760598  0.948194  0.549335  1
  Fe  Fe38  1  0.760598  0.687129  0.536700  1
  Fe  Fe39  1  0.760598  0.414824  0.525573  1
  Fe  Fe40  1  0.260598  0.917546  0.522278  1
  Fe  Fe41  1  0.260598  0.515110  0.553640  1
  Fe  Fe42  1  0.260598  0.200784  0.537596  1
  Fe  Fe43  1  0.760598  0.688201  0.587618  1
  Fe  Fe44  1  0.760598  0.439423  0.577245  1
  Fe  Fe45  1  0.760598  0.191238  0.564744  1
  Fe  Fe46  1  0.260598  0.786306  0.566597  1
  Fe  Fe47  1  0.260598  0.308106  0.593556  1
  Fe  Fe48  1  0.260598  0.047428  0.580212  1
  Fe  Fe49  1  0.760598  0.453943  0.627947  1
  Fe  Fe50  1  0.760598  0.197213  0.615147  1
  Fe  Fe51  1  0.760598  0.941109  0.600716  1
  Fe  Fe52  1  0.260598  0.567377  0.606732  1
  Fe  Fe53  1  0.260598  0.080446  0.632816  1
  Fe  Fe54  1  0.260598  0.824122  0.619741  1
  Fe  Fe55  1  0.760598  0.223927  0.667146  1
  Fe  Fe56  1  0.760598  0.966624  0.652426  1
  Fe  Fe57  1  0.760598  0.710444  0.639619  1
  Fe  Fe58  1  0.260598  0.336804  0.646168  1
  Fe  Fe59  1  0.260598  0.850684  0.672431  1
  Fe  Fe60  1  0.260598  0.593369  0.658765  1
  Fe  Fe61  1  0.760598  0.994601  0.704162  1
  Fe  Fe62  1  0.760598  0.737601  0.691136  1
  Fe  Fe63  1  0.760598  0.481526  0.679905  1
  Fe  Fe64  1  0.260598  0.104858  0.684433  1
  Fe  Fe65  1  0.260598  0.623384  0.710161  1
  Fe  Fe66  1  0.260598  0.360031  0.698134  1
