# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86074858
_cell_length_b   6.34259791
_cell_length_c   41.67140334
_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   Fe30
_cell_volume   756.11002789
_cell_formula_units_Z   30
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  0.141065  1.039902  0.367294  1
  Fe  Fe2  1  0.641065  0.729319  0.352807  1
  Fe  Fe3  1  0.141065  0.417145  0.338907  1
  Fe  Fe4  1  0.641065  0.938521  0.413829  1
  Fe  Fe5  1  0.141065  0.638651  0.399007  1
  Fe  Fe6  1  0.641065  0.337711  0.385372  1
  Fe  Fe7  1  0.141065  0.839266  0.460239  1
  Fe  Fe8  1  0.641065  0.538666  0.445195  1
  Fe  Fe9  1  0.141065  0.236053  0.430381  1
  Fe  Fe10  1  0.641065  0.740094  0.506441  1
  Fe  Fe11  1  0.141065  0.439487  0.491252  1
  Fe  Fe12  1  0.641065  0.138324  0.476138  1
  Fe  Fe13  1  0.141065  0.641169  0.552540  1
  Fe  Fe14  1  0.641065  0.340562  0.537298  1
  Fe  Fe15  1  0.141065  1.039806  0.522069  1
  Fe  Fe16  1  0.641065  0.542417  0.598566  1
  Fe  Fe17  1  0.141065  0.241661  0.583338  1
  Fe  Fe18  1  0.641065  0.941053  0.568095  1
  Fe  Fe19  1  0.141065  0.443898  0.644497  1
  Fe  Fe20  1  0.641065  0.142736  0.629383  1
  Fe  Fe21  1  0.141065  0.842128  0.614194  1
  Fe  Fe22  1  0.641065  0.346169  0.690254  1
  Fe  Fe23  1  0.141065  1.043557  0.675441  1
  Fe  Fe24  1  0.641065  0.742956  0.660397  1
  Fe  Fe25  1  0.141065  0.244511  0.735263  1
  Fe  Fe26  1  0.641065  0.943571  0.721628  1
  Fe  Fe27  1  0.141065  0.643702  0.706806  1
  Fe  Fe28  1  0.641065  0.165078  0.781728  1
  Fe  Fe29  1  0.141065  0.852903  0.767828  1
  Fe  Fe30  1  0.641065  0.542320  0.753341  1
