# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57642279
_cell_length_b   7.99106147
_cell_length_c   49.94331445
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.29658377
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe36
_cell_volume   1014.74487238
_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  0.890760  0.775319  0.340049  1
  Fe  Fe2  1  0.128727  0.251109  0.291921  1
  Fe  Fe3  1  0.510150  0.014235  0.315794  1
  Fe  Fe4  1  0.361357  0.715913  0.295580  1
  Fe  Fe5  1  0.740747  0.474937  0.319462  1
  Fe  Fe6  1  0.120449  0.234401  0.344446  1
  Fe  Fe7  1  0.028901  0.051517  0.411530  1
  Fe  Fe8  1  0.269978  0.533792  0.363738  1
  Fe  Fe9  1  0.649700  0.293150  0.387782  1
  Fe  Fe10  1  0.500090  0.993691  0.368024  1
  Fe  Fe11  1  0.879490  0.752459  0.391567  1
  Fe  Fe12  1  0.259297  0.512011  0.415369  1
  Fe  Fe13  1  0.167313  0.328237  0.482740  1
  Fe  Fe14  1  0.408358  0.810426  0.435201  1
  Fe  Fe15  1  0.787860  0.569387  0.458972  1
  Fe  Fe16  1  0.638710  0.270776  0.439166  1
  Fe  Fe17  1  0.018092  0.029510  0.462916  1
  Fe  Fe18  1  0.397565  0.788422  0.486652  1
  Fe  Fe19  1  0.305632  0.604766  0.553982  1
  Fe  Fe20  1  0.546777  0.087120  0.506497  1
  Fe  Fe21  1  0.926249  0.846032  0.530232  1
  Fe  Fe22  1  0.777029  0.547305  0.510409  1
  Fe  Fe23  1  0.156481  0.306155  0.534177  1
  Fe  Fe24  1  0.535984  0.065116  0.557947  1
  Fe  Fe25  1  0.444252  0.881851  0.625124  1
  Fe  Fe26  1  0.685044  0.363531  0.577780  1
  Fe  Fe27  1  0.064852  0.123083  0.601581  1
  Fe  Fe28  1  0.915440  0.824025  0.581619  1
  Fe  Fe29  1  0.294642  0.582392  0.605366  1
  Fe  Fe30  1  0.674364  0.341750  0.629411  1
  Fe  Fe31  1  0.582984  0.159629  0.697568  1
  Fe  Fe32  1  0.823893  0.641141  0.648702  1
  Fe  Fe33  1  0.203595  0.400605  0.673687  1
  Fe  Fe34  1  0.053582  0.100223  0.653100  1
  Fe  Fe35  1  0.434191  0.861307  0.677355  1
  Fe  Fe36  1  0.815614  0.624433  0.701227  1
