# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57514861
_cell_length_b   6.13158371
_cell_length_c   49.14872350
_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   Fe28
_cell_volume   776.045528934
_cell_formula_units_Z   28
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  0.505883  0.268002  0.286155  1
  Fe  Fe2  1  1.005883  1.000030  0.315745  1
  Fe  Fe3  1  1.005883  0.591029  0.305450  1
  Fe  Fe4  1  0.505883  0.323870  0.336917  1
  Fe  Fe5  1  0.505883  0.732947  0.346919  1
  Fe  Fe6  1  1.005883  0.464926  0.378503  1
  Fe  Fe7  1  1.005883  0.054394  0.367674  1
  Fe  Fe8  1  0.505883  0.786223  0.399115  1
  Fe  Fe9  1  0.505883  0.195445  0.409598  1
  Fe  Fe10  1  1.005883  0.926424  0.440933  1
  Fe  Fe11  1  1.005883  0.516635  0.430528  1
  Fe  Fe12  1  0.505883  0.247450  0.461784  1
  Fe  Fe13  1  0.505883  0.657351  0.472289  1
  Fe  Fe14  1  1.005883  0.388087  0.503597  1
  Fe  Fe15  1  1.005883  0.978413  0.493111  1
  Fe  Fe16  1  0.505883  0.709150  0.524419  1
  Fe  Fe17  1  0.505883  0.119050  0.534924  1
  Fe  Fe18  1  1.005883  0.849865  0.566179  1
  Fe  Fe19  1  1.005883  0.440076  0.555774  1
  Fe  Fe20  1  0.505883  0.171056  0.587109  1
  Fe  Fe21  1  0.505883  0.580277  0.597593  1
  Fe  Fe22  1  1.005883  0.312106  0.629033  1
  Fe  Fe23  1  1.005883  0.901574  0.618205  1
  Fe  Fe24  1  0.505883  0.633553  0.649789  1
  Fe  Fe25  1  0.505883  0.042630  0.659791  1
  Fe  Fe26  1  1.005883  0.775472  0.691257  1
  Fe  Fe27  1  1.005883  0.366470  0.680963  1
  Fe  Fe28  1  0.505883  0.098499  0.710552  1
