# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25263003
_cell_length_b   5.09690855
_cell_length_c   50.89882501
_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   Fe36
_cell_volume   843.818934431
_cell_formula_units_Z   36
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  0.537826  0.610383  0.272501  1
  Fe  Fe2  1  1.037826  0.860383  0.299190  1
  Fe  Fe3  1  1.037826  0.360383  0.299190  1
  Fe  Fe4  1  0.537826  0.110383  0.272501  1
  Fe  Fe5  1  0.537826  0.110383  0.323699  1
  Fe  Fe6  1  1.037826  0.360383  0.348821  1
  Fe  Fe7  1  1.037826  0.860383  0.348821  1
  Fe  Fe8  1  0.537826  0.610383  0.323699  1
  Fe  Fe9  1  0.537826  0.610383  0.373724  1
  Fe  Fe10  1  1.037826  0.860383  0.398702  1
  Fe  Fe11  1  1.037826  0.360383  0.398702  1
  Fe  Fe12  1  0.537826  0.110383  0.373724  1
  Fe  Fe13  1  0.537826  0.110383  0.423654  1
  Fe  Fe14  1  1.037826  0.360383  0.448615  1
  Fe  Fe15  1  1.037826  0.860383  0.448615  1
  Fe  Fe16  1  0.537826  0.610383  0.423654  1
  Fe  Fe17  1  0.537826  0.610383  0.473573  1
  Fe  Fe18  1  1.037826  0.860383  0.498533  1
  Fe  Fe19  1  1.037826  0.360383  0.498533  1
  Fe  Fe20  1  0.537826  0.110383  0.473573  1
  Fe  Fe21  1  0.537826  0.110383  0.523491  1
  Fe  Fe22  1  1.037826  0.360383  0.548452  1
  Fe  Fe23  1  1.037826  0.860383  0.548452  1
  Fe  Fe24  1  0.537826  0.610383  0.523491  1
  Fe  Fe25  1  0.537826  0.610383  0.573404  1
  Fe  Fe26  1  1.037826  0.860383  0.598381  1
  Fe  Fe27  1  1.037826  0.360383  0.598381  1
  Fe  Fe28  1  0.537826  0.110383  0.573404  1
  Fe  Fe29  1  0.537826  0.110383  0.623285  1
  Fe  Fe30  1  1.037826  0.360383  0.648407  1
  Fe  Fe31  1  1.037826  0.860383  0.648407  1
  Fe  Fe32  1  0.537826  0.610383  0.623285  1
  Fe  Fe33  1  0.537826  0.610383  0.672915  1
  Fe  Fe34  1  1.037826  0.860383  0.699605  1
  Fe  Fe35  1  1.037826  0.360383  0.699605  1
  Fe  Fe36  1  0.537826  0.110383  0.672915  1
