# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52786868
_cell_length_b   6.44532735
_cell_length_c   47.16480522
_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   Fe32
_cell_volume   768.453396151
_cell_formula_units_Z   32
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  0.567072  0.066208  0.323551  1
  Fe  Fe2  1  0.567072  0.633946  0.288012  1
  Fe  Fe3  1  1.067072  0.315959  0.295209  1
  Fe  Fe4  1  1.067072  0.956330  0.280836  1
  Fe  Fe5  1  0.567072  0.870153  0.369246  1
  Fe  Fe6  1  0.567072  0.442082  0.336314  1
  Fe  Fe7  1  1.067072  0.192396  0.363758  1
  Fe  Fe8  1  1.067072  0.752527  0.328802  1
  Fe  Fe9  1  0.567072  0.694638  0.421548  1
  Fe  Fe10  1  0.567072  0.314413  0.405167  1
  Fe  Fe11  1  1.067072  0.996963  0.407837  1
  Fe  Fe12  1  1.067072  0.564173  0.378116  1
  Fe  Fe13  1  0.567072  0.488011  0.488975  1
  Fe  Fe14  1  0.567072  0.071749  0.448607  1
  Fe  Fe15  1  1.067072  0.777663  0.467283  1
  Fe  Fe16  1  1.067072  0.407493  0.446796  1
  Fe  Fe17  1  0.567072  0.237140  0.531842  1
  Fe  Fe18  1  0.567072  0.866969  0.511355  1
  Fe  Fe19  1  1.067072  0.572883  0.530031  1
  Fe  Fe20  1  1.067072  0.156621  0.489663  1
  Fe  Fe21  1  0.567072  0.080459  0.600521  1
  Fe  Fe22  1  0.567072  0.647669  0.570801  1
  Fe  Fe23  1  1.067072  0.330219  0.573471  1
  Fe  Fe24  1  1.067072  0.949995  0.557090  1
  Fe  Fe25  1  0.567072  0.892105  0.649836  1
  Fe  Fe26  1  0.567072  0.452236  0.614880  1
  Fe  Fe27  1  1.067072  0.202550  0.642323  1
  Fe  Fe28  1  1.067072  0.774479  0.609392  1
  Fe  Fe29  1  0.567072  0.688302  0.697802  1
  Fe  Fe30  1  0.567072  0.328673  0.683429  1
  Fe  Fe31  1  1.067072  0.010686  0.690626  1
  Fe  Fe32  1  1.067072  0.578424  0.655087  1
