# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.30129105
_cell_length_b   4.90518824
_cell_length_c   46.31854525
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.43465587
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe72
_cell_volume   1965.333672
_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  0.122810  0.975822  0.291679  1
  Fe  Fe2  1  0.389620  0.943340  0.303063  1
  Fe  Fe3  1  0.660104  0.891891  0.314501  1
  Fe  Fe4  1  0.122810  0.475822  0.291679  1
  Fe  Fe5  1  0.389620  0.443340  0.303063  1
  Fe  Fe6  1  0.660104  0.391891  0.314501  1
  Fe  Fe7  1  0.931336  0.834473  0.325832  1
  Fe  Fe8  1  0.201653  0.763470  0.338985  1
  Fe  Fe9  1  0.471287  0.708933  0.350419  1
  Fe  Fe10  1  0.931336  0.334473  0.325832  1
  Fe  Fe11  1  0.201653  0.263470  0.338985  1
  Fe  Fe12  1  0.471287  0.208933  0.350419  1
  Fe  Fe13  1  0.741091  0.652283  0.361929  1
  Fe  Fe14  1  0.010576  0.594191  0.373738  1
  Fe  Fe15  1  0.281226  0.531417  0.386232  1
  Fe  Fe16  1  0.741091  0.152283  0.361929  1
  Fe  Fe17  1  0.010576  0.094191  0.373738  1
  Fe  Fe18  1  0.281226  0.031417  0.386232  1
  Fe  Fe19  1  0.551443  0.473467  0.397880  1
  Fe  Fe20  1  0.821264  0.415946  0.409585  1
  Fe  Fe21  1  0.091006  0.357501  0.421509  1
  Fe  Fe22  1  0.551443  0.973467  0.397880  1
  Fe  Fe23  1  0.821264  0.915946  0.409585  1
  Fe  Fe24  1  0.091006  0.857501  0.421509  1
  Fe  Fe25  1  0.361433  0.296685  0.433628  1
  Fe  Fe26  1  0.631537  0.238137  0.445416  1
  Fe  Fe27  1  0.901391  0.180134  0.457224  1
  Fe  Fe28  1  0.361433  0.796685  0.433628  1
  Fe  Fe29  1  0.631537  0.738137  0.445416  1
  Fe  Fe30  1  0.901391  0.680134  0.457224  1
  Fe  Fe31  1  0.171365  0.121326  0.469126  1
  Fe  Fe32  1  0.441628  0.061383  0.481129  1
  Fe  Fe33  1  0.711662  0.002644  0.492992  1
  Fe  Fe34  1  0.171365  0.621326  0.469126  1
  Fe  Fe35  1  0.441628  0.561383  0.481129  1
  Fe  Fe36  1  0.711662  0.502644  0.492992  1
  Fe  Fe37  1  0.981572  0.944394  0.504822  1
  Fe  Fe38  1  0.251606  0.885655  0.516685  1
  Fe  Fe39  1  0.521869  0.825712  0.528689  1
  Fe  Fe40  1  0.981572  0.444394  0.504822  1
  Fe  Fe41  1  0.251606  0.385655  0.516685  1
  Fe  Fe42  1  0.521869  0.325712  0.528689  1
  Fe  Fe43  1  0.791843  0.766904  0.540590  1
  Fe  Fe44  1  0.061698  0.708900  0.552398  1
  Fe  Fe45  1  0.331801  0.650353  0.564187  1
  Fe  Fe46  1  0.791843  0.266904  0.540590  1
  Fe  Fe47  1  0.061698  0.208900  0.552398  1
  Fe  Fe48  1  0.331801  0.150353  0.564187  1
  Fe  Fe49  1  0.602229  0.589536  0.576306  1
  Fe  Fe50  1  0.871971  0.531091  0.588230  1
  Fe  Fe51  1  0.141791  0.473571  0.599935  1
  Fe  Fe52  1  0.602229  0.089536  0.576306  1
  Fe  Fe53  1  0.871971  0.031091  0.588230  1
  Fe  Fe54  1  0.141791  0.973571  0.599935  1
  Fe  Fe55  1  0.412009  0.415621  0.611582  1
  Fe  Fe56  1  0.682658  0.352847  0.624076  1
  Fe  Fe57  1  0.952144  0.294755  0.635885  1
  Fe  Fe58  1  0.412009  0.915621  0.611582  1
  Fe  Fe59  1  0.682658  0.852847  0.624076  1
  Fe  Fe60  1  0.952144  0.794755  0.635885  1
  Fe  Fe61  1  0.221948  0.238104  0.647396  1
  Fe  Fe62  1  0.491581  0.183568  0.658829  1
  Fe  Fe63  1  0.761899  0.112564  0.671983  1
  Fe  Fe64  1  0.221948  0.738104  0.647396  1
  Fe  Fe65  1  0.491581  0.683568  0.658829  1
  Fe  Fe66  1  0.761899  0.612564  0.671983  1
  Fe  Fe67  1  0.033130  0.055146  0.683314  1
  Fe  Fe68  1  0.303614  0.003697  0.694751  1
  Fe  Fe69  1  0.570424  0.971216  0.706136  1
  Fe  Fe70  1  0.033130  0.555146  0.683314  1
  Fe  Fe71  1  0.303614  0.503697  0.694751  1
  Fe  Fe72  1  0.570424  0.471216  0.706136  1
