# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34859574
_cell_length_b   5.33048964
_cell_length_c   46.57605374
_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   Fe26
_cell_volume   788.703498747
_cell_formula_units_Z   26
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  0.417270  0.071223  0.280657  1
  Fe  Fe2  1  0.646394  0.530086  0.296674  1
  Fe  Fe3  1  0.868185  0.973781  0.315667  1
  Fe  Fe4  1  0.090724  0.419341  0.331735  1
  Fe  Fe5  1  0.311383  0.860878  0.349676  1
  Fe  Fe6  1  0.534521  0.307522  0.366372  1
  Fe  Fe7  1  0.755885  0.750528  0.384056  1
  Fe  Fe8  1  0.978491  0.196080  0.400955  1
  Fe  Fe9  1  0.200122  0.639644  0.418465  1
  Fe  Fe10  1  0.422542  0.084807  0.435494  1
  Fe  Fe11  1  0.644323  0.528679  0.452910  1
  Fe  Fe12  1  0.866637  0.973626  0.470003  1
  Fe  Fe13  1  0.088483  0.417633  0.487379  1
  Fe  Fe14  1  0.310766  0.862516  0.504491  1
  Fe  Fe15  1  0.532613  0.306523  0.521867  1
  Fe  Fe16  1  0.754927  0.751470  0.538960  1
  Fe  Fe17  1  0.976708  0.195343  0.556377  1
  Fe  Fe18  1  0.199127  0.640505  0.573405  1
  Fe  Fe19  1  0.420759  0.084069  0.590916  1
  Fe  Fe20  1  0.643365  0.529621  0.607814  1
  Fe  Fe21  1  0.864729  0.972627  0.625499  1
  Fe  Fe22  1  0.087867  0.419271  0.642194  1
  Fe  Fe23  1  0.308525  0.860808  0.660135  1
  Fe  Fe24  1  0.531064  0.306368  0.676203  1
  Fe  Fe25  1  0.752856  0.750063  0.695196  1
  Fe  Fe26  1  0.981980  0.208927  0.711213  1
