# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57419263
_cell_length_b   13.25566779
_cell_length_c   47.12598415
_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   1608.06310233
_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  1.009021  0.384662  0.279181  1
  Fe  Fe2  1  1.009021  0.680246  0.308234  1
  Fe  Fe3  1  0.509021  0.032201  0.293675  1
  Fe  Fe4  1  0.509021  0.550261  0.279623  1
  Fe  Fe5  1  0.509021  0.846292  0.307531  1
  Fe  Fe6  1  1.009021  0.198576  0.293113  1
  Fe  Fe7  1  0.509021  0.326696  0.323236  1
  Fe  Fe8  1  0.509021  0.622926  0.353338  1
  Fe  Fe9  1  1.009021  0.974269  0.337834  1
  Fe  Fe10  1  1.009021  0.493655  0.323769  1
  Fe  Fe11  1  1.009021  0.789601  0.353012  1
  Fe  Fe12  1  0.509021  0.141443  0.338070  1
  Fe  Fe13  1  1.009021  0.269095  0.368600  1
  Fe  Fe14  1  1.009021  0.563743  0.398979  1
  Fe  Fe15  1  0.509021  0.916380  0.383558  1
  Fe  Fe16  1  0.509021  0.436105  0.368643  1
  Fe  Fe17  1  0.509021  0.730543  0.398755  1
  Fe  Fe18  1  1.009021  0.082999  0.383456  1
  Fe  Fe19  1  0.509021  0.210319  0.414051  1
  Fe  Fe20  1  0.509021  0.504745  0.444541  1
  Fe  Fe21  1  1.009021  0.857618  0.429230  1
  Fe  Fe22  1  1.009021  0.377325  0.414098  1
  Fe  Fe23  1  1.009021  0.671596  0.444432  1
  Fe  Fe24  1  0.509021  0.024357  0.429126  1
  Fe  Fe25  1  1.009021  0.151620  0.459620  1
  Fe  Fe26  1  1.009021  0.445842  0.490099  1
  Fe  Fe27  1  0.509021  0.798794  0.474878  1
  Fe  Fe28  1  0.509021  0.318492  0.459613  1
  Fe  Fe29  1  0.509021  0.612699  0.490050  1
  Fe  Fe30  1  1.009021  0.965561  0.474761  1
  Fe  Fe31  1  0.509021  0.092807  0.505222  1
  Fe  Fe32  1  0.509021  0.387014  0.535659  1
  Fe  Fe33  1  1.009021  0.739944  0.520510  1
  Fe  Fe34  1  1.009021  0.259663  0.505172  1
  Fe  Fe35  1  1.009021  0.553886  0.535652  1
  Fe  Fe36  1  0.509021  0.906711  0.520394  1
  Fe  Fe37  1  1.009021  0.033910  0.550840  1
  Fe  Fe38  1  1.009021  0.328181  0.581173  1
  Fe  Fe39  1  0.509021  0.681148  0.566146  1
  Fe  Fe40  1  0.509021  0.200760  0.550731  1
  Fe  Fe41  1  0.509021  0.495186  0.581220  1
  Fe  Fe42  1  1.009021  0.847887  0.566042  1
  Fe  Fe43  1  0.509021  0.974962  0.596516  1
  Fe  Fe44  1  0.509021  0.269401  0.626629  1
  Fe  Fe45  1  1.009021  0.622507  0.611816  1
  Fe  Fe46  1  1.009021  0.141762  0.596293  1
  Fe  Fe47  1  1.009021  0.436411  0.626671  1
  Fe  Fe48  1  0.509021  0.789126  0.611714  1
  Fe  Fe49  1  1.009021  0.915904  0.642260  1
  Fe  Fe50  1  1.009021  0.211851  0.671502  1
  Fe  Fe51  1  0.509021  0.564062  0.657201  1
  Fe  Fe52  1  0.509021  0.082579  0.641934  1
  Fe  Fe53  1  0.509021  0.378810  0.672036  1
  Fe  Fe54  1  1.009021  0.731236  0.657438  1
  Fe  Fe55  1  0.509021  0.859213  0.687740  1
  Fe  Fe56  1  0.509021  0.155244  0.715648  1
  Fe  Fe57  1  1.009021  0.506930  0.702158  1
  Fe  Fe58  1  1.009021  0.025259  0.687037  1
  Fe  Fe59  1  1.009021  0.320844  0.716091  1
  Fe  Fe60  1  0.509021  0.673305  0.701597  1
