# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53690332
_cell_length_b   8.36679263
_cell_length_c   53.52439485
_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   Fe48
_cell_volume   1136.09510435
_cell_formula_units_Z   48
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  0.565052  0.266805  0.239192  1
  Fe  Fe2  1  0.565052  0.807865  0.279196  1
  Fe  Fe3  1  0.565052  0.534983  0.259131  1
  Fe  Fe4  1  1.065052  0.307865  0.279196  1
  Fe  Fe5  1  1.065052  1.034983  0.259131  1
  Fe  Fe6  1  1.065052  0.766805  0.239192  1
  Fe  Fe7  1  0.565052  0.085402  0.298041  1
  Fe  Fe8  1  0.565052  0.646492  0.335663  1
  Fe  Fe9  1  0.565052  0.365559  0.317052  1
  Fe  Fe10  1  1.065052  0.146492  0.335663  1
  Fe  Fe11  1  1.065052  0.865559  0.317052  1
  Fe  Fe12  1  1.065052  0.585402  0.298041  1
  Fe  Fe13  1  0.565052  0.927874  0.354458  1
  Fe  Fe14  1  0.565052  0.490496  0.391862  1
  Fe  Fe15  1  0.565052  0.209126  0.373118  1
  Fe  Fe16  1  1.065052  0.990496  0.391862  1
  Fe  Fe17  1  1.065052  0.709126  0.373118  1
  Fe  Fe18  1  1.065052  0.427874  0.354458  1
  Fe  Fe19  1  0.565052  0.771794  0.410550  1
  Fe  Fe20  1  0.565052  0.334455  0.447975  1
  Fe  Fe21  1  0.565052  0.053143  0.429276  1
  Fe  Fe22  1  1.065052  0.834455  0.447975  1
  Fe  Fe23  1  1.065052  0.553143  0.429276  1
  Fe  Fe24  1  1.065052  0.271794  0.410550  1
  Fe  Fe25  1  0.565052  0.615798  0.466696  1
  Fe  Fe26  1  0.565052  0.178458  0.504120  1
  Fe  Fe27  1  0.565052  0.897110  0.485394  1
  Fe  Fe28  1  1.065052  0.678458  0.504120  1
  Fe  Fe29  1  1.065052  0.397110  0.485394  1
  Fe  Fe30  1  1.065052  0.115798  0.466696  1
  Fe  Fe31  1  0.565052  0.459757  0.522808  1
  Fe  Fe32  1  0.565052  1.022379  0.560212  1
  Fe  Fe33  1  0.565052  0.741127  0.541552  1
  Fe  Fe34  1  1.065052  0.522379  0.560212  1
  Fe  Fe35  1  1.065052  0.241127  0.541552  1
  Fe  Fe36  1  1.065052  0.959757  0.522808  1
  Fe  Fe37  1  0.565052  0.303761  0.579007  1
  Fe  Fe38  1  0.565052  0.864851  0.616629  1
  Fe  Fe39  1  0.565052  0.584693  0.597618  1
  Fe  Fe40  1  1.065052  0.364851  0.616629  1
  Fe  Fe41  1  1.065052  0.084693  0.597618  1
  Fe  Fe42  1  1.065052  0.803761  0.579007  1
  Fe  Fe43  1  0.565052  0.142388  0.635474  1
  Fe  Fe44  1  0.565052  0.683448  0.675478  1
  Fe  Fe45  1  0.565052  0.415270  0.655539  1
  Fe  Fe46  1  1.065052  0.183448  0.675478  1
  Fe  Fe47  1  1.065052  0.915270  0.655539  1
  Fe  Fe48  1  1.065052  0.642388  0.635474  1
