# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42314200
_cell_length_b   6.40131395
_cell_length_c   46.74790280
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe72
_cell_volume   1883.2778556
_cell_formula_units_Z   72
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  0.644721  0.646569  0.308732  1
  Fe  Fe2  1  0.144721  0.146569  0.308732  1
  Fe  Fe3  1  0.019721  0.521569  0.325499  1
  Fe  Fe4  1  0.519721  0.021569  0.325499  1
  Fe  Fe5  1  0.394721  0.396569  0.308732  1
  Fe  Fe6  1  0.894721  0.896569  0.308732  1
  Fe  Fe7  1  0.769721  0.271569  0.325499  1
  Fe  Fe8  1  0.269721  0.771569  0.325499  1
  Fe  Fe9  1  0.519721  0.521569  0.355683  1
  Fe  Fe10  1  0.019721  0.021569  0.355683  1
  Fe  Fe11  1  0.894721  0.396569  0.371252  1
  Fe  Fe12  1  0.394721  0.896569  0.371252  1
  Fe  Fe13  1  0.269721  0.271569  0.355683  1
  Fe  Fe14  1  0.769721  0.771569  0.355683  1
  Fe  Fe15  1  0.644721  0.146569  0.371252  1
  Fe  Fe16  1  0.144721  0.646569  0.371252  1
  Fe  Fe17  1  0.394721  0.396569  0.401645  1
  Fe  Fe18  1  0.894721  0.896569  0.401645  1
  Fe  Fe19  1  0.769721  0.271569  0.416897  1
  Fe  Fe20  1  0.269721  0.771569  0.416897  1
  Fe  Fe21  1  0.144721  0.146569  0.401645  1
  Fe  Fe22  1  0.644721  0.646569  0.401645  1
  Fe  Fe23  1  0.519721  0.021569  0.416897  1
  Fe  Fe24  1  0.019721  0.521569  0.416897  1
  Fe  Fe25  1  0.269721  0.271569  0.447453  1
  Fe  Fe26  1  0.769721  0.771569  0.447453  1
  Fe  Fe27  1  0.644721  0.146569  0.462581  1
  Fe  Fe28  1  0.144721  0.646569  0.462581  1
  Fe  Fe29  1  0.019721  0.021569  0.447453  1
  Fe  Fe30  1  0.519721  0.521569  0.447453  1
  Fe  Fe31  1  0.394721  0.896569  0.462581  1
  Fe  Fe32  1  0.894721  0.396569  0.462581  1
  Fe  Fe33  1  0.144721  0.146569  0.493196  1
  Fe  Fe34  1  0.644721  0.646569  0.493196  1
  Fe  Fe35  1  0.519721  0.021569  0.508290  1
  Fe  Fe36  1  0.019721  0.521569  0.508290  1
  Fe  Fe37  1  0.894721  0.896569  0.493196  1
  Fe  Fe38  1  0.394721  0.396569  0.493196  1
  Fe  Fe39  1  0.269721  0.771569  0.508290  1
  Fe  Fe40  1  0.769721  0.271569  0.508290  1
  Fe  Fe41  1  0.019721  0.021569  0.538905  1
  Fe  Fe42  1  0.519721  0.521569  0.538905  1
  Fe  Fe43  1  0.394721  0.896569  0.554033  1
  Fe  Fe44  1  0.894721  0.396569  0.554033  1
  Fe  Fe45  1  0.769721  0.771569  0.538905  1
  Fe  Fe46  1  0.269721  0.271569  0.538905  1
  Fe  Fe47  1  0.144721  0.646569  0.554033  1
  Fe  Fe48  1  0.644721  0.146569  0.554033  1
  Fe  Fe49  1  0.894721  0.896569  0.584588  1
  Fe  Fe50  1  0.394721  0.396569  0.584588  1
  Fe  Fe51  1  0.269721  0.771569  0.599841  1
  Fe  Fe52  1  0.769721  0.271569  0.599841  1
  Fe  Fe53  1  0.644721  0.646569  0.584588  1
  Fe  Fe54  1  0.144721  0.146569  0.584588  1
  Fe  Fe55  1  0.019721  0.521569  0.599841  1
  Fe  Fe56  1  0.519721  0.021569  0.599841  1
  Fe  Fe57  1  0.769721  0.771569  0.630234  1
  Fe  Fe58  1  0.269721  0.271569  0.630234  1
  Fe  Fe59  1  0.144721  0.646569  0.645803  1
  Fe  Fe60  1  0.644721  0.146569  0.645803  1
  Fe  Fe61  1  0.519721  0.521569  0.630234  1
  Fe  Fe62  1  0.019721  0.021569  0.630234  1
  Fe  Fe63  1  0.894721  0.396569  0.645803  1
  Fe  Fe64  1  0.394721  0.896569  0.645803  1
  Fe  Fe65  1  0.644721  0.646569  0.675987  1
  Fe  Fe66  1  0.144721  0.146569  0.675987  1
  Fe  Fe67  1  0.019721  0.521569  0.692753  1
  Fe  Fe68  1  0.519721  0.021569  0.692753  1
  Fe  Fe69  1  0.394721  0.396569  0.675987  1
  Fe  Fe70  1  0.894721  0.896569  0.675987  1
  Fe  Fe71  1  0.769721  0.271569  0.692753  1
  Fe  Fe72  1  0.269721  0.771569  0.692753  1
