# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82692233
_cell_length_b   6.38378529
_cell_length_c   46.18996151
_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   Fe32
_cell_volume   833.565532286
_cell_formula_units_Z   32
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  0.505021  0.076795  0.325321  1
  Fe  Fe2  1  0.505021  0.685335  0.295832  1
  Fe  Fe3  1  0.005021  0.374644  0.308969  1
  Fe  Fe4  1  0.005021  0.997440  0.283207  1
  Fe  Fe5  1  0.505021  0.876568  0.379498  1
  Fe  Fe6  1  0.505021  0.476529  0.351107  1
  Fe  Fe7  1  0.005021  0.178985  0.366053  1
  Fe  Fe8  1  0.005021  0.776143  0.337675  1
  Fe  Fe9  1  0.505021  0.675877  0.434976  1
  Fe  Fe10  1  0.505021  0.277166  0.407475  1
  Fe  Fe11  1  0.005021  0.976220  0.421192  1
  Fe  Fe12  1  0.005021  0.576212  0.393136  1
  Fe  Fe13  1  0.505021  0.475295  0.490689  1
  Fe  Fe14  1  0.505021  0.075572  0.462874  1
  Fe  Fe15  1  0.005021  0.775354  0.476742  1
  Fe  Fe16  1  0.005021  0.376129  0.449049  1
  Fe  Fe17  1  0.505021  0.274010  0.546181  1
  Fe  Fe18  1  0.505021  0.874785  0.518488  1
  Fe  Fe19  1  0.005021  0.574567  0.532356  1
  Fe  Fe20  1  0.005021  0.174844  0.504541  1
  Fe  Fe21  1  0.505021  0.073927  0.602095  1
  Fe  Fe22  1  0.505021  0.673920  0.574038  1
  Fe  Fe23  1  0.005021  0.372973  0.587755  1
  Fe  Fe24  1  0.005021  0.974262  0.560254  1
  Fe  Fe25  1  0.505021  0.873996  0.657555  1
  Fe  Fe26  1  0.505021  0.471154  0.629177  1
  Fe  Fe27  1  0.005021  0.173610  0.644123  1
  Fe  Fe28  1  0.005021  0.773572  0.615733  1
  Fe  Fe29  1  0.505021  0.652700  0.712024  1
  Fe  Fe30  1  0.505021  0.275496  0.686261  1
  Fe  Fe31  1  0.005021  0.964804  0.699399  1
  Fe  Fe32  1  0.005021  0.573344  0.669909  1
