# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04699348
_cell_length_b   4.04699348
_cell_length_c   47.79337757
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe26
_cell_volume   677.89645658
_cell_formula_units_Z   26
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  0.166232  0.583044  0.303425  1
  Fe  Fe2  1  0.499566  0.249710  0.286620  1
  Fe  Fe3  1  0.499566  0.249710  0.337376  1
  Fe  Fe4  1  0.832899  0.916377  0.318219  1
  Fe  Fe5  1  0.832899  0.916377  0.370921  1
  Fe  Fe6  1  0.166232  0.583044  0.354438  1
  Fe  Fe7  1  0.166232  0.583044  0.406028  1
  Fe  Fe8  1  0.499566  0.249710  0.388956  1
  Fe  Fe9  1  0.499566  0.249710  0.440651  1
  Fe  Fe10  1  0.832899  0.916377  0.423074  1
  Fe  Fe11  1  0.832899  0.916377  0.475016  1
  Fe  Fe12  1  0.166232  0.583044  0.457761  1
  Fe  Fe13  1  0.166232  0.583044  0.509527  1
  Fe  Fe14  1  0.499566  0.249710  0.492398  1
  Fe  Fe15  1  0.499566  0.249710  0.544165  1
  Fe  Fe16  1  0.832899  0.916377  0.526910  1
  Fe  Fe17  1  0.832899  0.916377  0.578851  1
  Fe  Fe18  1  0.166232  0.583044  0.561275  1
  Fe  Fe19  1  0.166232  0.583044  0.612969  1
  Fe  Fe20  1  0.499566  0.249710  0.595898  1
  Fe  Fe21  1  0.499566  0.249710  0.647487  1
  Fe  Fe22  1  0.832899  0.916377  0.631004  1
  Fe  Fe23  1  0.832899  0.916377  0.683707  1
  Fe  Fe24  1  0.166232  0.583044  0.664550  1
  Fe  Fe25  1  0.166232  0.583044  0.715305  1
  Fe  Fe26  1  0.499566  0.249710  0.698501  1
