# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.38134163
_cell_length_b   4.66713949
_cell_length_c   68.14512047
_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   718.502865173
_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  0.885769  0.636759  0.134181  1
  Fe  Fe2  1  0.885769  0.136759  0.148400  1
  Fe  Fe3  1  0.385769  0.636759  0.166062  1
  Fe  Fe4  1  0.385769  0.136759  0.181650  1
  Fe  Fe5  1  0.885769  0.636759  0.198939  1
  Fe  Fe6  1  0.885769  0.136759  0.214797  1
  Fe  Fe7  1  0.385769  0.636759  0.231922  1
  Fe  Fe8  1  0.385769  0.136759  0.247872  1
  Fe  Fe9  1  0.885769  0.636759  0.264943  1
  Fe  Fe10  1  0.885769  0.136759  0.280925  1
  Fe  Fe11  1  0.385769  0.636759  0.297979  1
  Fe  Fe12  1  0.385769  0.136759  0.313971  1
  Fe  Fe13  1  0.885769  0.636759  0.331019  1
  Fe  Fe14  1  0.885769  0.136759  0.347013  1
  Fe  Fe15  1  0.385769  0.636759  0.364061  1
  Fe  Fe16  1  0.385769  0.136759  0.380053  1
  Fe  Fe17  1  0.885769  0.636759  0.397107  1
  Fe  Fe18  1  0.885769  0.136759  0.413088  1
  Fe  Fe19  1  0.385769  0.636759  0.430160  1
  Fe  Fe20  1  0.385769  0.136759  0.446110  1
  Fe  Fe21  1  0.885769  0.636759  0.463235  1
  Fe  Fe22  1  0.885769  0.136759  0.479092  1
  Fe  Fe23  1  0.385769  0.636759  0.496381  1
  Fe  Fe24  1  0.385769  0.136759  0.511969  1
  Fe  Fe25  1  0.885769  0.636759  0.529632  1
  Fe  Fe26  1  0.885769  0.136759  0.543850  1
