# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83050312
_cell_length_b   9.00869734
_cell_length_c   54.48951565
_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   1389.43611307
_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  1.146239  0.327084  0.241062  1
  Fe  Fe2  1  1.146239  0.727524  0.274916  1
  Fe  Fe3  1  0.646239  0.525614  0.259583  1
  Fe  Fe4  1  0.646239  0.114946  0.225876  1
  Fe  Fe5  1  0.646239  0.227524  0.274916  1
  Fe  Fe6  1  0.646239  0.827084  0.241062  1
  Fe  Fe7  1  1.146239  0.614946  0.225876  1
  Fe  Fe8  1  1.146239  0.025614  0.259583  1
  Fe  Fe9  1  1.146239  0.127117  0.308558  1
  Fe  Fe10  1  1.146239  0.527330  0.341974  1
  Fe  Fe11  1  0.646239  0.326635  0.325426  1
  Fe  Fe12  1  0.646239  0.925344  0.292218  1
  Fe  Fe13  1  0.646239  0.027330  0.341974  1
  Fe  Fe14  1  0.646239  0.627117  0.308558  1
  Fe  Fe15  1  1.146239  0.425344  0.292218  1
  Fe  Fe16  1  1.146239  0.826635  0.325426  1
  Fe  Fe17  1  1.146239  0.927803  0.375346  1
  Fe  Fe18  1  1.146239  0.328335  0.408698  1
  Fe  Fe19  1  0.646239  0.127995  0.392043  1
  Fe  Fe20  1  0.646239  0.727366  0.358720  1
  Fe  Fe21  1  0.646239  0.828335  0.408698  1
  Fe  Fe22  1  0.646239  0.427803  0.375346  1
  Fe  Fe23  1  1.146239  0.227366  0.358720  1
  Fe  Fe24  1  1.146239  0.627995  0.392043  1
  Fe  Fe25  1  1.146239  0.728894  0.442043  1
  Fe  Fe26  1  1.146239  0.129466  0.475383  1
  Fe  Fe27  1  0.646239  0.929156  0.458720  1
  Fe  Fe28  1  0.646239  0.528584  0.425379  1
  Fe  Fe29  1  0.646239  0.629466  0.475383  1
  Fe  Fe30  1  0.646239  0.228894  0.442043  1
  Fe  Fe31  1  1.146239  0.028584  0.425379  1
  Fe  Fe32  1  1.146239  0.429156  0.458720  1
  Fe  Fe33  1  1.146239  0.530056  0.508719  1
  Fe  Fe34  1  1.146239  0.930684  0.542043  1
  Fe  Fe35  1  0.646239  0.730247  0.525416  1
  Fe  Fe36  1  0.646239  0.329715  0.492064  1
  Fe  Fe37  1  0.646239  0.430684  0.542043  1
  Fe  Fe38  1  0.646239  0.030056  0.508719  1
  Fe  Fe39  1  1.146239  0.829715  0.492064  1
  Fe  Fe40  1  1.146239  0.230247  0.525416  1
  Fe  Fe41  1  1.146239  0.331416  0.575336  1
  Fe  Fe42  1  1.146239  0.732707  0.608545  1
  Fe  Fe43  1  0.646239  0.530933  0.592205  1
  Fe  Fe44  1  0.646239  0.130721  0.558788  1
  Fe  Fe45  1  0.646239  0.232707  0.608545  1
  Fe  Fe46  1  0.646239  0.831416  0.575336  1
  Fe  Fe47  1  1.146239  0.630721  0.558788  1
  Fe  Fe48  1  1.146239  0.030933  0.592205  1
  Fe  Fe49  1  1.146239  0.132437  0.641179  1
  Fe  Fe50  1  1.146239  0.543105  0.674887  1
  Fe  Fe51  1  0.646239  0.330967  0.659701  1
  Fe  Fe52  1  0.646239  0.930527  0.625847  1
  Fe  Fe53  1  0.646239  0.043105  0.674887  1
  Fe  Fe54  1  0.646239  0.632437  0.641179  1
  Fe  Fe55  1  1.146239  0.430527  0.625847  1
  Fe  Fe56  1  1.146239  0.830967  0.659701  1
