# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23960228
_cell_length_b   9.36519489
_cell_length_c   46.83194127
_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   Fe66
_cell_volume   1859.44825589
_cell_formula_units_Z   66
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  0.751150  0.039005  0.315761  1
  Fe  Fe2  1  0.751150  0.769739  0.303219  1
  Fe  Fe3  1  0.751150  0.503168  0.290301  1
  Fe  Fe4  1  0.251150  0.090540  0.287303  1
  Fe  Fe5  1  0.251150  0.618991  0.311344  1
  Fe  Fe6  1  0.251150  0.353520  0.298620  1
  Fe  Fe7  1  0.751150  0.847586  0.355657  1
  Fe  Fe8  1  0.751150  0.577294  0.342386  1
  Fe  Fe9  1  0.751150  0.306634  0.328317  1
  Fe  Fe10  1  0.251150  0.887804  0.324340  1
  Fe  Fe11  1  0.251150  0.424850  0.351186  1
  Fe  Fe12  1  0.251150  0.156848  0.338478  1
  Fe  Fe13  1  0.751150  0.654890  0.395683  1
  Fe  Fe14  1  0.751150  0.385094  0.382156  1
  Fe  Fe15  1  0.751150  0.116565  0.369063  1
  Fe  Fe16  1  0.251150  0.694166  0.364465  1
  Fe  Fe17  1  0.251150  0.232102  0.391553  1
  Fe  Fe18  1  0.251150  0.962640  0.377998  1
  Fe  Fe19  1  0.751150  0.462555  0.435738  1
  Fe  Fe20  1  0.751150  0.193417  0.422520  1
  Fe  Fe21  1  0.751150  0.924172  0.409125  1
  Fe  Fe22  1  0.251150  0.501086  0.404624  1
  Fe  Fe23  1  0.251150  0.039254  0.431481  1
  Fe  Fe24  1  0.251150  0.770051  0.418040  1
  Fe  Fe25  1  0.751150  0.270381  0.475955  1
  Fe  Fe26  1  0.751150  0.001030  0.462590  1
  Fe  Fe27  1  0.751150  0.731773  0.449169  1
  Fe  Fe28  1  0.251150  0.308711  0.444871  1
  Fe  Fe29  1  0.251150  0.846836  0.471537  1
  Fe  Fe30  1  0.251150  0.577715  0.458156  1
  Fe  Fe31  1  0.751150  0.077960  0.516037  1
  Fe  Fe32  1  0.751150  0.808647  0.502649  1
  Fe  Fe33  1  0.751150  0.539533  0.489279  1
  Fe  Fe34  1  0.251150  0.116175  0.484922  1
  Fe  Fe35  1  0.251150  0.654602  0.511680  1
  Fe  Fe36  1  0.251150  0.385488  0.498310  1
  Fe  Fe37  1  0.751150  0.885424  0.556087  1
  Fe  Fe38  1  0.751150  0.616420  0.542803  1
  Fe  Fe39  1  0.751150  0.347299  0.529422  1
  Fe  Fe40  1  0.251150  0.923755  0.525004  1
  Fe  Fe41  1  0.251150  0.462362  0.551789  1
  Fe  Fe42  1  0.251150  0.193105  0.538369  1
  Fe  Fe43  1  0.751150  0.693049  0.596335  1
  Fe  Fe44  1  0.751150  0.424084  0.582919  1
  Fe  Fe45  1  0.751150  0.154881  0.569478  1
  Fe  Fe46  1  0.251150  0.731580  0.565221  1
  Fe  Fe47  1  0.251150  0.269963  0.591834  1
  Fe  Fe48  1  0.251150  1.000718  0.578439  1
  Fe  Fe49  1  0.751150  0.499969  0.636494  1
  Fe  Fe50  1  0.751150  0.231495  0.622960  1
  Fe  Fe51  1  0.751150  0.962034  0.609406  1
  Fe  Fe52  1  0.251150  0.539245  0.605276  1
  Fe  Fe53  1  0.251150  0.077570  0.631896  1
  Fe  Fe54  1  0.251150  0.809041  0.618803  1
  Fe  Fe55  1  0.751150  0.306331  0.676619  1
  Fe  Fe56  1  0.751150  0.037287  0.662481  1
  Fe  Fe57  1  0.751150  0.769285  0.649773  1
  Fe  Fe58  1  0.251150  0.346550  0.645302  1
  Fe  Fe59  1  0.251150  0.887501  0.672641  1
  Fe  Fe60  1  0.251150  0.616841  0.658572  1
  Fe  Fe61  1  0.751150  0.103595  0.713656  1
  Fe  Fe62  1  0.751150  0.840616  0.702339  1
  Fe  Fe63  1  0.751150  0.575144  0.689615  1
  Fe  Fe64  1  0.251150  0.155130  0.685197  1
  Fe  Fe65  1  0.251150  0.690967  0.710657  1
  Fe  Fe66  1  0.251150  0.424396  0.697739  1
