# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49266889
_cell_length_b   13.09047979
_cell_length_c   47.70942586
_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   1556.76962153
_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  0.755225  0.376393  0.286277  1
  Fe  Fe2  1  0.755225  0.675912  0.314873  1
  Fe  Fe3  1  0.255225  0.027056  0.300616  1
  Fe  Fe4  1  0.255225  0.543525  0.285847  1
  Fe  Fe5  1  0.255225  0.847085  0.313555  1
  Fe  Fe6  1  0.755225  0.196587  0.299349  1
  Fe  Fe7  1  0.255225  0.325254  0.330277  1
  Fe  Fe8  1  0.255225  0.620788  0.357974  1
  Fe  Fe9  1  0.755225  0.974131  0.344642  1
  Fe  Fe10  1  0.755225  0.491543  0.328354  1
  Fe  Fe11  1  0.755225  0.789199  0.356683  1
  Fe  Fe12  1  0.255225  0.140623  0.342445  1
  Fe  Fe13  1  0.755225  0.268382  0.373192  1
  Fe  Fe14  1  0.755225  0.565481  0.401742  1
  Fe  Fe15  1  0.255225  0.916584  0.387475  1
  Fe  Fe16  1  0.255225  0.437033  0.372347  1
  Fe  Fe17  1  0.255225  0.732913  0.400572  1
  Fe  Fe18  1  0.755225  0.085240  0.386730  1
  Fe  Fe19  1  0.255225  0.213113  0.416719  1
  Fe  Fe20  1  0.255225  0.509339  0.445229  1
  Fe  Fe21  1  0.755225  0.860910  0.430875  1
  Fe  Fe22  1  0.755225  0.380716  0.415755  1
  Fe  Fe23  1  0.755225  0.677051  0.444318  1
  Fe  Fe24  1  0.255225  0.028534  0.430175  1
  Fe  Fe25  1  0.755225  0.156873  0.460053  1
  Fe  Fe26  1  0.755225  0.453393  0.488719  1
  Fe  Fe27  1  0.255225  0.805193  0.474315  1
  Fe  Fe28  1  0.255225  0.324751  0.459266  1
  Fe  Fe29  1  0.255225  0.621063  0.487883  1
  Fe  Fe30  1  0.755225  0.972646  0.473654  1
  Fe  Fe31  1  0.255225  0.100944  0.503537  1
  Fe  Fe32  1  0.255225  0.397255  0.532155  1
  Fe  Fe33  1  0.755225  0.749360  0.517767  1
  Fe  Fe34  1  0.755225  0.268613  0.502702  1
  Fe  Fe35  1  0.755225  0.565134  0.531367  1
  Fe  Fe36  1  0.255225  0.916813  0.517105  1
  Fe  Fe37  1  0.755225  0.044955  0.547103  1
  Fe  Fe38  1  0.755225  0.341290  0.575665  1
  Fe  Fe39  1  0.255225  0.693472  0.561245  1
  Fe  Fe40  1  0.255225  0.212668  0.546191  1
  Fe  Fe41  1  0.255225  0.508893  0.574701  1
  Fe  Fe42  1  0.755225  0.861096  0.560545  1
  Fe  Fe43  1  0.255225  0.989093  0.590849  1
  Fe  Fe44  1  0.255225  0.284973  0.619073  1
  Fe  Fe45  1  0.755225  0.636766  0.604691  1
  Fe  Fe46  1  0.755225  0.156525  0.589679  1
  Fe  Fe47  1  0.755225  0.453624  0.618228  1
  Fe  Fe48  1  0.255225  0.805423  0.603946  1
  Fe  Fe49  1  0.755225  0.932807  0.634737  1
  Fe  Fe50  1  0.755225  0.230463  0.663066  1
  Fe  Fe51  1  0.255225  0.581383  0.648976  1
  Fe  Fe52  1  0.255225  0.101218  0.633446  1
  Fe  Fe53  1  0.255225  0.396752  0.661144  1
  Fe  Fe54  1  0.755225  0.747875  0.646778  1
  Fe  Fe55  1  0.255225  0.874921  0.677866  1
  Fe  Fe56  1  0.255225  0.178481  0.705573  1
  Fe  Fe57  1  0.755225  0.525419  0.692072  1
  Fe  Fe58  1  0.755225  0.046095  0.676548  1
  Fe  Fe59  1  0.755225  0.345613  0.705144  1
  Fe  Fe60  1  0.255225  0.694950  0.690805  1
