# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.31026685
_cell_length_b   4.47270365
_cell_length_c   71.61935204
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe28
_cell_volume   702.075652702
_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  0.847046  0.580012  0.102941  1
  Fe  Fe2  1  0.847046  0.080012  0.118832  1
  Fe  Fe3  1  0.347046  0.580012  0.135666  1
  Fe  Fe4  1  0.347046  0.080012  0.151247  1
  Fe  Fe5  1  0.847046  0.580012  0.167497  1
  Fe  Fe6  1  0.847046  0.080012  0.183149  1
  Fe  Fe7  1  0.347046  0.580012  0.199361  1
  Fe  Fe8  1  0.347046  0.080012  0.215026  1
  Fe  Fe9  1  0.847046  0.580012  0.231233  1
  Fe  Fe10  1  0.847046  0.080012  0.246900  1
  Fe  Fe11  1  0.347046  0.580012  0.263105  1
  Fe  Fe12  1  0.347046  0.080012  0.278773  1
  Fe  Fe13  1  0.847046  0.580012  0.294978  1
  Fe  Fe14  1  0.847046  0.080012  0.310646  1
  Fe  Fe15  1  0.347046  0.580012  0.326851  1
  Fe  Fe16  1  0.347046  0.080012  0.342519  1
  Fe  Fe17  1  0.847046  0.580012  0.358724  1
  Fe  Fe18  1  0.847046  0.080012  0.374392  1
  Fe  Fe19  1  0.347046  0.580012  0.390597  1
  Fe  Fe20  1  0.347046  0.080012  0.406265  1
  Fe  Fe21  1  0.847046  0.580012  0.422471  1
  Fe  Fe22  1  0.847046  0.080012  0.438136  1
  Fe  Fe23  1  0.347046  0.580012  0.454348  1
  Fe  Fe24  1  0.347046  0.080012  0.470001  1
  Fe  Fe25  1  0.847046  0.580012  0.486250  1
  Fe  Fe26  1  0.847046  0.080012  0.501831  1
  Fe  Fe27  1  0.347046  0.580012  0.518665  1
  Fe  Fe28  1  0.347046  0.080012  0.534557  1
