# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83507297
_cell_length_b   9.04215516
_cell_length_c   54.69461483
_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   Fe56
_cell_volume   1402.10573173
_cell_formula_units_Z   56
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  1.139918  0.518773  0.253982  1
  Fe  Fe2  1  1.139918  0.110682  0.221517  1
  Fe  Fe3  1  0.639918  0.320082  0.235536  1
  Fe  Fe4  1  0.639918  0.721421  0.269287  1
  Fe  Fe5  1  0.639918  0.610682  0.221517  1
  Fe  Fe6  1  0.639918  0.018773  0.253982  1
  Fe  Fe7  1  1.139918  0.221421  0.269287  1
  Fe  Fe8  1  1.139918  0.820082  0.235536  1
  Fe  Fe9  1  1.139918  0.320618  0.319945  1
  Fe  Fe10  1  1.139918  0.919186  0.286729  1
  Fe  Fe11  1  0.639918  0.121143  0.303007  1
  Fe  Fe12  1  0.639918  0.521483  0.336483  1
  Fe  Fe13  1  0.639918  0.419186  0.286729  1
  Fe  Fe14  1  0.639918  0.820618  0.319945  1
  Fe  Fe15  1  1.139918  0.021483  0.336483  1
  Fe  Fe16  1  1.139918  0.621143  0.303007  1
  Fe  Fe17  1  1.139918  0.122337  0.386621  1
  Fe  Fe18  1  1.139918  0.721539  0.353264  1
  Fe  Fe19  1  0.639918  0.922087  0.369899  1
  Fe  Fe20  1  0.639918  0.322767  0.403290  1
  Fe  Fe21  1  0.639918  0.221539  0.353264  1
  Fe  Fe22  1  0.639918  0.622337  0.386621  1
  Fe  Fe23  1  1.139918  0.822767  0.403290  1
  Fe  Fe24  1  1.139918  0.422087  0.369899  1
  Fe  Fe25  1  1.139918  0.923811  0.453370  1
  Fe  Fe26  1  1.139918  0.523084  0.419992  1
  Fe  Fe27  1  0.639918  0.723477  0.436672  1
  Fe  Fe28  1  0.639918  0.124204  0.470049  1
  Fe  Fe29  1  0.639918  0.023084  0.419992  1
  Fe  Fe30  1  0.639918  0.423811  0.453370  1
  Fe  Fe31  1  1.139918  0.624204  0.470049  1
  Fe  Fe32  1  1.139918  0.223477  0.436672  1
  Fe  Fe33  1  1.139918  0.725201  0.520143  1
  Fe  Fe34  1  1.139918  0.324521  0.486752  1
  Fe  Fe35  1  0.639918  0.524951  0.503421  1
  Fe  Fe36  1  0.639918  0.925748  0.536778  1
  Fe  Fe37  1  0.639918  0.824521  0.486752  1
  Fe  Fe38  1  0.639918  0.225201  0.520143  1
  Fe  Fe39  1  1.139918  0.425748  0.536778  1
  Fe  Fe40  1  1.139918  0.024951  0.503421  1
  Fe  Fe41  1  1.139918  0.526144  0.587035  1
  Fe  Fe42  1  1.139918  0.125804  0.553558  1
  Fe  Fe43  1  0.639918  0.326670  0.570096  1
  Fe  Fe44  1  0.639918  0.728101  0.603313  1
  Fe  Fe45  1  0.639918  0.625804  0.553558  1
  Fe  Fe46  1  0.639918  0.026144  0.587035  1
  Fe  Fe47  1  1.139918  0.228101  0.603313  1
  Fe  Fe48  1  1.139918  0.826670  0.570096  1
  Fe  Fe49  1  1.139918  0.327205  0.654505  1
  Fe  Fe50  1  1.139918  0.925867  0.620754  1
  Fe  Fe51  1  0.639918  0.128515  0.636060  1
  Fe  Fe52  1  0.639918  0.536606  0.668525  1
  Fe  Fe53  1  0.639918  0.425867  0.620754  1
  Fe  Fe54  1  0.639918  0.827205  0.654505  1
  Fe  Fe55  1  1.139918  0.036606  0.668525  1
  Fe  Fe56  1  1.139918  0.628515  0.636060  1
