# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05213027
_cell_length_b   9.15532450
_cell_length_c   47.52717650
_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   1763.19016768
_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  0.764242  0.118488  0.305790  1
  Fe  Fe2  1  0.764242  0.863413  0.292076  1
  Fe  Fe3  1  0.764242  0.600380  0.279992  1
  Fe  Fe4  1  0.264242  0.228920  0.285963  1
  Fe  Fe5  1  0.264242  0.741852  0.310322  1
  Fe  Fe6  1  0.264242  0.485772  0.299059  1
  Fe  Fe7  1  0.764242  0.886596  0.344057  1
  Fe  Fe8  1  0.764242  0.630008  0.331436  1
  Fe  Fe9  1  0.764242  0.372923  0.317755  1
  Fe  Fe10  1  0.264242  0.999478  0.323029  1
  Fe  Fe11  1  0.264242  0.512774  0.350565  1
  Fe  Fe12  1  0.264242  0.256584  0.337719  1
  Fe  Fe13  1  0.764242  0.655882  0.383524  1
  Fe  Fe14  1  0.764242  0.399057  0.370476  1
  Fe  Fe15  1  0.764242  0.142828  0.357376  1
  Fe  Fe16  1  0.264242  0.769374  0.362237  1
  Fe  Fe17  1  0.264242  0.281731  0.389443  1
  Fe  Fe18  1  0.264242  0.025950  0.375034  1
  Fe  Fe19  1  0.764242  0.436593  0.423732  1
  Fe  Fe20  1  0.764242  0.175847  0.410075  1
  Fe  Fe21  1  0.764242  0.915105  0.396798  1
  Fe  Fe22  1  0.264242  0.534605  0.402552  1
  Fe  Fe23  1  0.264242  0.031130  0.425482  1
  Fe  Fe24  1  0.264242  0.783011  0.412922  1
  Fe  Fe25  1  0.764242  0.304789  0.468005  1
  Fe  Fe26  1  0.764242  0.022686  0.452713  1
  Fe  Fe27  1  0.764242  0.707725  0.436669  1
  Fe  Fe28  1  0.264242  0.274758  0.440792  1
  Fe  Fe29  1  0.264242  0.807951  0.464644  1
  Fe  Fe30  1  0.264242  0.535515  0.453492  1
  Fe  Fe31  1  0.764242  0.131444  0.507672  1
  Fe  Fe32  1  0.764242  0.852580  0.492143  1
  Fe  Fe33  1  0.764242  0.576335  0.480708  1
  Fe  Fe34  1  0.264242  0.086941  0.479881  1
  Fe  Fe35  1  0.264242  0.642050  0.506845  1
  Fe  Fe36  1  0.264242  0.365805  0.495410  1
  Fe  Fe37  1  0.764242  0.943627  0.546762  1
  Fe  Fe38  1  0.764242  0.682870  0.534061  1
  Fe  Fe39  1  0.764242  0.410435  0.522909  1
  Fe  Fe40  1  0.264242  0.913597  0.519548  1
  Fe  Fe41  1  0.264242  0.510661  0.550884  1
  Fe  Fe42  1  0.264242  0.195700  0.534840  1
  Fe  Fe43  1  0.764242  0.683781  0.585001  1
  Fe  Fe44  1  0.764242  0.435375  0.574631  1
  Fe  Fe45  1  0.764242  0.187256  0.562072  1
  Fe  Fe46  1  0.264242  0.781792  0.563822  1
  Fe  Fe47  1  0.264242  0.303281  0.590755  1
  Fe  Fe48  1  0.264242  0.042538  0.577478  1
  Fe  Fe49  1  0.764242  0.449011  0.625316  1
  Fe  Fe50  1  0.764242  0.192435  0.612519  1
  Fe  Fe51  1  0.764242  0.936655  0.598110  1
  Fe  Fe52  1  0.264242  0.562503  0.604029  1
  Fe  Fe53  1  0.264242  0.075557  0.630177  1
  Fe  Fe54  1  0.264242  0.819328  0.617077  1
  Fe  Fe55  1  0.764242  0.218907  0.664524  1
  Fe  Fe56  1  0.764242  0.961801  0.649835  1
  Fe  Fe57  1  0.764242  0.705611  0.636989  1
  Fe  Fe58  1  0.264242  0.331790  0.643497  1
  Fe  Fe59  1  0.264242  0.845462  0.669798  1
  Fe  Fe60  1  0.264242  0.588377  0.656117  1
  Fe  Fe61  1  0.764242  0.989465  0.701591  1
  Fe  Fe62  1  0.764242  0.732614  0.688495  1
  Fe  Fe63  1  0.764242  0.476534  0.677231  1
  Fe  Fe64  1  0.264242  0.099898  0.681763  1
  Fe  Fe65  1  0.264242  0.618005  0.707561  1
  Fe  Fe66  1  0.264242  0.354973  0.695477  1
