# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.50017436
_cell_length_b   7.59408917
_cell_length_c   48.02666832
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.25431404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe36
_cell_volume   899.992055261
_cell_formula_units_Z   36
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  0.898203  0.806502  0.342306  1
  Fe  Fe2  1  0.145597  0.303931  0.293667  1
  Fe  Fe3  1  0.515956  0.042907  0.316671  1
  Fe  Fe4  1  0.356235  0.726367  0.297917  1
  Fe  Fe5  1  0.742658  0.500153  0.325430  1
  Fe  Fe6  1  0.122046  0.256445  0.346386  1
  Fe  Fe7  1  0.042115  0.093967  0.413161  1
  Fe  Fe8  1  0.279375  0.570853  0.367078  1
  Fe  Fe9  1  0.659846  0.330241  0.389217  1
  Fe  Fe10  1  0.504496  0.021340  0.370182  1
  Fe  Fe11  1  0.886721  0.786605  0.394685  1
  Fe  Fe12  1  0.266762  0.545960  0.418183  1
  Fe  Fe13  1  0.185868  0.381390  0.484265  1
  Fe  Fe14  1  0.423263  0.856846  0.437211  1
  Fe  Fe15  1  0.804340  0.618813  0.460708  1
  Fe  Fe16  1  0.648213  0.308291  0.441598  1
  Fe  Fe17  1  0.029866  0.071637  0.465403  1
  Fe  Fe18  1  0.410942  0.833719  0.489098  1
  Fe  Fe19  1  0.329886  0.669182  0.555469  1
  Fe  Fe20  1  0.567158  0.143754  0.507970  1
  Fe  Fe21  1  0.948234  0.905836  0.531664  1
  Fe  Fe22  1  0.792232  0.596082  0.512803  1
  Fe  Fe23  1  0.173760  0.358660  0.536359  1
  Fe  Fe24  1  0.554837  0.120626  0.559856  1
  Fe  Fe25  1  0.473604  0.956132  0.626886  1
  Fe  Fe26  1  0.711337  0.431512  0.578885  1
  Fe  Fe27  1  0.091379  0.190868  0.602383  1
  Fe  Fe28  1  0.935985  0.883506  0.583907  1
  Fe  Fe29  1  0.318254  0.647231  0.607851  1
  Fe  Fe30  1  0.698725  0.406619  0.629989  1
  Fe  Fe31  1  0.621864  0.251106  0.699150  1
  Fe  Fe32  1  0.856054  0.721028  0.650681  1
  Fe  Fe33  1  0.235442  0.477319  0.671637  1
  Fe  Fe34  1  0.079896  0.170971  0.654761  1
  Fe  Fe35  1  0.462143  0.934565  0.680396  1
  Fe  Fe36  1  0.832502  0.673541  0.703401  1
