# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.29435371
_cell_length_b   4.76149351
_cell_length_c   47.17250949
_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   Fe20
_cell_volume   515.338452996
_cell_formula_units_Z   20
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  0.290572  0.122264  0.323591  1
  Fe  Fe2  1  0.385473  0.622264  0.323675  1
  Fe  Fe3  1  0.838563  0.871820  0.363480  1
  Fe  Fe4  1  0.838563  0.372709  0.363480  1
  Fe  Fe5  1  0.339389  0.622262  0.402362  1
  Fe  Fe6  1  0.337876  0.122266  0.401758  1
  Fe  Fe7  1  0.839803  0.372284  0.441069  1
  Fe  Fe8  1  0.839795  0.872246  0.441067  1
  Fe  Fe9  1  0.713916  0.122229  0.484179  1
  Fe  Fe10  1  0.289335  0.622307  0.481580  1
  Fe  Fe11  1  0.473422  0.871015  0.526167  1
  Fe  Fe12  1  0.474900  0.373945  0.526153  1
  Fe  Fe13  1  0.260757  0.622025  0.569506  1
  Fe  Fe14  1  0.264959  0.122918  0.569410  1
  Fe  Fe15  1  0.742826  0.371894  0.610603  1
  Fe  Fe16  1  0.521185  0.872383  0.611574  1
  Fe  Fe17  1  0.767102  0.118470  0.654345  1
  Fe  Fe18  1  0.565848  0.617418  0.654704  1
  Fe  Fe19  1  0.781983  0.866366  0.698198  1
  Fe  Fe20  1  0.573344  0.365966  0.698415  1
