# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25745745
_cell_length_b   8.05165525
_cell_length_c   48.27856032
_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   1266.24643071
_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  0.537029  0.260683  0.311499  1
  Fe  Fe2  1  0.537029  0.864391  0.277569  1
  Fe  Fe3  1  1.037029  0.660420  0.260002  1
  Fe  Fe4  1  1.037029  0.061793  0.294948  1
  Fe  Fe5  1  1.037029  0.364391  0.277569  1
  Fe  Fe6  1  1.037029  0.760683  0.311499  1
  Fe  Fe7  1  0.537029  0.561793  0.294948  1
  Fe  Fe8  1  0.537029  0.160420  0.260002  1
  Fe  Fe9  1  0.537029  0.061091  0.377983  1
  Fe  Fe10  1  0.537029  0.661244  0.344725  1
  Fe  Fe11  1  1.037029  0.461162  0.328006  1
  Fe  Fe12  1  1.037029  0.861208  0.361343  1
  Fe  Fe13  1  1.037029  0.161244  0.344725  1
  Fe  Fe14  1  1.037029  0.561091  0.377983  1
  Fe  Fe15  1  0.537029  0.361208  0.361343  1
  Fe  Fe16  1  0.537029  0.961162  0.328006  1
  Fe  Fe17  1  0.537029  0.860934  0.444540  1
  Fe  Fe18  1  0.537029  0.461025  0.411263  1
  Fe  Fe19  1  1.037029  0.261079  0.394622  1
  Fe  Fe20  1  1.037029  0.660982  0.427900  1
  Fe  Fe21  1  1.037029  0.961025  0.411263  1
  Fe  Fe22  1  1.037029  0.360934  0.444540  1
  Fe  Fe23  1  0.537029  0.160982  0.427900  1
  Fe  Fe24  1  0.537029  0.761079  0.394622  1
  Fe  Fe25  1  0.537029  0.660751  0.511095  1
  Fe  Fe26  1  0.537029  0.260843  0.477817  1
  Fe  Fe27  1  1.037029  0.060890  0.461178  1
  Fe  Fe28  1  1.037029  0.460799  0.494456  1
  Fe  Fe29  1  1.037029  0.760843  0.477817  1
  Fe  Fe30  1  1.037029  0.160751  0.511095  1
  Fe  Fe31  1  0.537029  0.960799  0.494456  1
  Fe  Fe32  1  0.537029  0.560890  0.461178  1
  Fe  Fe33  1  0.537029  0.460563  0.577651  1
  Fe  Fe34  1  0.537029  0.060659  0.544373  1
  Fe  Fe35  1  1.037029  0.860708  0.527733  1
  Fe  Fe36  1  1.037029  0.260617  0.561010  1
  Fe  Fe37  1  1.037029  0.560659  0.544373  1
  Fe  Fe38  1  1.037029  0.960563  0.577651  1
  Fe  Fe39  1  0.537029  0.760617  0.561010  1
  Fe  Fe40  1  0.537029  0.360708  0.527733  1
  Fe  Fe41  1  0.537029  0.260480  0.644267  1
  Fe  Fe42  1  0.537029  0.860434  0.610930  1
  Fe  Fe43  1  1.037029  0.660551  0.594290  1
  Fe  Fe44  1  1.037029  0.060398  0.627548  1
  Fe  Fe45  1  1.037029  0.360434  0.610930  1
  Fe  Fe46  1  1.037029  0.760480  0.644267  1
  Fe  Fe47  1  0.537029  0.560398  0.627548  1
  Fe  Fe48  1  0.537029  0.160551  0.594290  1
  Fe  Fe49  1  0.537029  0.061221  0.712271  1
  Fe  Fe50  1  0.537029  0.659849  0.677325  1
  Fe  Fe51  1  1.037029  0.460958  0.660774  1
  Fe  Fe52  1  1.037029  0.857251  0.694704  1
  Fe  Fe53  1  1.037029  0.159849  0.677325  1
  Fe  Fe54  1  1.037029  0.561221  0.712271  1
  Fe  Fe55  1  0.537029  0.357251  0.694704  1
  Fe  Fe56  1  0.537029  0.960958  0.660774  1
