# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59322225
_cell_length_b   13.48820361
_cell_length_c   46.78523314
_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   Fe60
_cell_volume   1636.44965968
_cell_formula_units_Z   60
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  1.001728  0.408519  0.280542  1
  Fe  Fe2  1  1.001728  0.704807  0.309852  1
  Fe  Fe3  1  0.501728  0.057358  0.295504  1
  Fe  Fe4  1  0.501728  0.573184  0.280764  1
  Fe  Fe5  1  0.501728  0.871644  0.309985  1
  Fe  Fe6  1  1.001728  0.222967  0.295094  1
  Fe  Fe7  1  0.501728  0.352375  0.325178  1
  Fe  Fe8  1  0.501728  0.649381  0.355280  1
  Fe  Fe9  1  1.001728  1.000673  0.340164  1
  Fe  Fe10  1  1.001728  0.519336  0.325355  1
  Fe  Fe11  1  1.001728  0.815960  0.355088  1
  Fe  Fe12  1  0.501728  0.167612  0.340211  1
  Fe  Fe13  1  1.001728  0.297101  0.370699  1
  Fe  Fe14  1  1.001728  0.593734  0.400892  1
  Fe  Fe15  1  0.501728  0.945301  0.385713  1
  Fe  Fe16  1  0.501728  0.463887  0.370673  1
  Fe  Fe17  1  0.501728  0.760518  0.400711  1
  Fe  Fe18  1  1.001728  0.112041  0.385692  1
  Fe  Fe19  1  0.501728  0.241615  0.416195  1
  Fe  Fe20  1  0.501728  0.538188  0.446453  1
  Fe  Fe21  1  1.001728  0.889908  0.431270  1
  Fe  Fe22  1  1.001728  0.408483  0.416111  1
  Fe  Fe23  1  1.001728  0.705019  0.446287  1
  Fe  Fe24  1  0.501728  0.056637  0.431205  1
  Fe  Fe25  1  1.001728  0.186167  0.461715  1
  Fe  Fe26  1  1.001728  0.482682  0.491986  1
  Fe  Fe27  1  0.501728  0.834465  0.476817  1
  Fe  Fe28  1  0.501728  0.353025  0.461595  1
  Fe  Fe29  1  0.501728  0.649532  0.491842  1
  Fe  Fe30  1  1.001728  1.001214  0.476737  1
  Fe  Fe31  1  0.501728  0.130703  0.507252  1
  Fe  Fe32  1  0.501728  0.427210  0.537499  1
  Fe  Fe33  1  1.001728  0.779021  0.522357  1
  Fe  Fe34  1  1.001728  0.297553  0.507108  1
  Fe  Fe35  1  1.001728  0.594068  0.537379  1
  Fe  Fe36  1  0.501728  0.945770  0.522277  1
  Fe  Fe37  1  1.001728  0.075216  0.552807  1
  Fe  Fe38  1  1.001728  0.371752  0.582983  1
  Fe  Fe39  1  0.501728  0.723598  0.567889  1
  Fe  Fe40  1  0.501728  0.242047  0.552641  1
  Fe  Fe41  1  0.501728  0.538620  0.582899  1
  Fe  Fe42  1  1.001728  0.890327  0.567824  1
  Fe  Fe43  1  0.501728  0.019717  0.598383  1
  Fe  Fe44  1  0.501728  0.316348  0.628421  1
  Fe  Fe45  1  1.001728  0.668194  0.613402  1
  Fe  Fe46  1  1.001728  0.186501  0.598202  1
  Fe  Fe47  1  1.001728  0.483134  0.628395  1
  Fe  Fe48  1  0.501728  0.834934  0.613381  1
  Fe  Fe49  1  1.001728  0.964275  0.644006  1
  Fe  Fe50  1  1.001728  0.260899  0.673739  1
  Fe  Fe51  1  0.501728  0.612623  0.658883  1
  Fe  Fe52  1  0.501728  0.130854  0.643814  1
  Fe  Fe53  1  0.501728  0.427860  0.673916  1
  Fe  Fe54  1  1.001728  0.779562  0.658930  1
  Fe  Fe55  1  0.501728  0.908591  0.689109  1
  Fe  Fe56  1  0.501728  0.207051  0.718330  1
  Fe  Fe57  1  1.001728  0.557268  0.704000  1
  Fe  Fe58  1  1.001728  0.075428  0.689242  1
  Fe  Fe59  1  1.001728  0.371716  0.718552  1
  Fe  Fe60  1  0.501728  0.722877  0.703590  1
