# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46932247
_cell_length_b   12.38920615
_cell_length_c   46.56125221
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1417.30570767
_cell_formula_units_Z   60
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  0.069078  0.879531  0.305418  1
  Fe  Fe2  1  0.499445  0.233995  0.275316  1
  Fe  Fe3  1  0.229243  0.550798  0.289474  1
  Fe  Fe4  1  0.484012  0.054364  0.296684  1
  Fe  Fe5  1  0.324944  0.372536  0.312191  1
  Fe  Fe6  1  0.642656  0.726925  0.281239  1
  Fe  Fe7  1  0.581494  0.848027  0.350860  1
  Fe  Fe8  1  0.948282  0.201430  0.322149  1
  Fe  Fe9  1  0.744499  0.525102  0.336066  1
  Fe  Fe10  1  0.991840  0.020488  0.343035  1
  Fe  Fe11  1  0.829785  0.343474  0.358364  1
  Fe  Fe12  1  0.156742  0.696402  0.327492  1
  Fe  Fe13  1  0.094179  0.817693  0.396317  1
  Fe  Fe14  1  0.435558  0.170988  0.366885  1
  Fe  Fe15  1  0.256589  0.494639  0.381354  1
  Fe  Fe16  1  0.506277  0.989414  0.388619  1
  Fe  Fe17  1  0.344081  0.312839  0.403898  1
  Fe  Fe18  1  0.669164  0.666658  0.373293  1
  Fe  Fe19  1  0.608206  0.787211  0.441742  1
  Fe  Fe20  1  0.937957  0.140591  0.411889  1
  Fe  Fe21  1  0.769918  0.464191  0.426691  1
  Fe  Fe22  1  0.021429  0.958934  0.434080  1
  Fe  Fe23  1  0.859301  0.282317  0.449266  1
  Fe  Fe24  1  0.183403  0.636061  0.418829  1
  Fe  Fe25  1  0.122884  0.756733  0.487158  1
  Fe  Fe26  1  0.448303  0.110268  0.457056  1
  Fe  Fe27  1  0.284427  0.433719  0.472039  1
  Fe  Fe28  1  0.536587  0.928494  0.479469  1
  Fe  Fe29  1  0.374095  0.251879  0.494566  1
  Fe  Fe30  1  0.698210  0.605529  0.464288  1
  Fe  Fe31  1  0.637786  0.726234  0.532581  1
  Fe  Fe32  1  0.961901  0.079885  0.502303  1
  Fe  Fe33  1  0.799408  0.403270  0.517399  1
  Fe  Fe34  1  0.051569  0.898045  0.524830  1
  Fe  Fe35  1  0.887693  0.221496  0.539813  1
  Fe  Fe36  1  0.213112  0.575031  0.509711  1
  Fe  Fe37  1  0.152592  0.695703  0.578040  1
  Fe  Fe38  1  0.476695  0.049447  0.547602  1
  Fe  Fe39  1  0.314567  0.372830  0.562789  1
  Fe  Fe40  1  0.566078  0.867573  0.570178  1
  Fe  Fe41  1  0.398039  0.191173  0.584980  1
  Fe  Fe42  1  0.727789  0.544553  0.555126  1
  Fe  Fe43  1  0.666832  0.665106  0.623576  1
  Fe  Fe44  1  0.991914  0.018924  0.592971  1
  Fe  Fe45  1  0.829719  0.342350  0.608249  1
  Fe  Fe46  1  0.079406  0.837125  0.615515  1
  Fe  Fe47  1  0.900437  0.160776  0.629983  1
  Fe  Fe48  1  0.241817  0.514071  0.600551  1
  Fe  Fe49  1  0.179253  0.635361  0.669376  1
  Fe  Fe50  1  0.506211  0.988290  0.638504  1
  Fe  Fe51  1  0.344156  0.311276  0.653833  1
  Fe  Fe52  1  0.591496  0.806662  0.660803  1
  Fe  Fe53  1  0.387713  0.130333  0.674719  1
  Fe  Fe54  1  0.754501  0.483736  0.646009  1
  Fe  Fe55  1  0.693340  0.604839  0.715630  1
  Fe  Fe56  1  0.011051  0.959228  0.684677  1
  Fe  Fe57  1  0.851983  0.277400  0.700185  1
  Fe  Fe58  1  0.106753  0.780966  0.707395  1
  Fe  Fe59  1  0.836550  0.097769  0.721552  1
  Fe  Fe60  1  0.266917  0.452232  0.691450  1
