# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46530787
_cell_length_b   4.90302257
_cell_length_c   47.43001674
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.32807467
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe34
_cell_volume   922.514940458
_cell_formula_units_Z   34
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  0.746679  0.297652  0.283093  1
  Fe  Fe2  1  0.305851  0.754421  0.294239  1
  Fe  Fe3  1  0.197511  0.206517  0.306701  1
  Fe  Fe4  1  0.757307  0.668299  0.319965  1
  Fe  Fe5  1  0.648256  0.119694  0.333703  1
  Fe  Fe6  1  0.209701  0.574190  0.345848  1
  Fe  Fe7  1  0.104415  0.031741  0.359400  1
  Fe  Fe8  1  0.666714  0.488160  0.372601  1
  Fe  Fe9  1  0.556921  0.941125  0.385860  1
  Fe  Fe10  1  0.121033  0.396654  0.398966  1
  Fe  Fe11  1  0.013117  0.852075  0.412218  1
  Fe  Fe12  1  0.576691  0.307178  0.425438  1
  Fe  Fe13  1  0.467944  0.761949  0.438646  1
  Fe  Fe14  1  0.031718  0.217172  0.451854  1
  Fe  Fe15  1  0.923294  0.672261  0.465056  1
  Fe  Fe16  1  0.486961  0.127366  0.478284  1
  Fe  Fe17  1  0.378451  0.582389  0.491480  1
  Fe  Fe18  1  0.942151  0.037538  0.504702  1
  Fe  Fe19  1  0.833641  0.492561  0.517898  1
  Fe  Fe20  1  0.397308  0.947667  0.531126  1
  Fe  Fe21  1  0.288884  0.402756  0.544328  1
  Fe  Fe22  1  0.852658  0.857979  0.557536  1
  Fe  Fe23  1  0.743911  0.312749  0.570744  1
  Fe  Fe24  1  0.307485  0.767852  0.583964  1
  Fe  Fe25  1  0.199570  0.223273  0.597216  1
  Fe  Fe26  1  0.763681  0.678802  0.610322  1
  Fe  Fe27  1  0.653888  0.131767  0.623581  1
  Fe  Fe28  1  0.216187  0.588186  0.636781  1
  Fe  Fe29  1  0.110901  0.045738  0.650334  1
  Fe  Fe30  1  0.672346  0.500233  0.662479  1
  Fe  Fe31  1  0.563295  0.951628  0.676217  1
  Fe  Fe32  1  0.123091  0.413411  0.689481  1
  Fe  Fe33  1  0.014751  0.865507  0.701943  1
  Fe  Fe34  1  0.573923  0.322276  0.713089  1
