# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34731396
_cell_length_b   4.78841921
_cell_length_c   47.56968809
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe40
_cell_volume   990.246860533
_cell_formula_units_Z   40
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  0.175003  0.038739  0.281575  1
  Fe  Fe2  1  0.677637  0.911791  0.302507  1
  Fe  Fe3  1  0.328502  0.538739  0.281575  1
  Fe  Fe4  1  0.825868  0.411791  0.302507  1
  Fe  Fe5  1  0.177241  0.773755  0.326796  1
  Fe  Fe6  1  0.673144  0.637195  0.348393  1
  Fe  Fe7  1  0.326263  0.273755  0.326796  1
  Fe  Fe8  1  0.830361  0.137195  0.348393  1
  Fe  Fe9  1  0.170010  0.500753  0.371940  1
  Fe  Fe10  1  0.669851  0.365722  0.394219  1
  Fe  Fe11  1  0.333495  1.000753  0.371940  1
  Fe  Fe12  1  0.833654  0.865722  0.394219  1
  Fe  Fe13  1  0.169533  0.229274  0.417267  1
  Fe  Fe14  1  0.669597  0.093634  0.439792  1
  Fe  Fe15  1  0.333972  0.729274  0.417267  1
  Fe  Fe16  1  0.833908  0.593634  0.439792  1
  Fe  Fe17  1  0.169470  0.957451  0.462662  1
  Fe  Fe18  1  0.669496  0.821667  0.485284  1
  Fe  Fe19  1  0.334035  0.457451  0.462662  1
  Fe  Fe20  1  0.834009  0.321667  0.485284  1
  Fe  Fe21  1  0.169496  0.685550  0.508109  1
  Fe  Fe22  1  0.669470  0.549767  0.530731  1
  Fe  Fe23  1  0.334009  0.185550  0.508109  1
  Fe  Fe24  1  0.834035  0.049767  0.530731  1
  Fe  Fe25  1  0.169597  0.413584  0.553601  1
  Fe  Fe26  1  0.669533  0.277943  0.576125  1
  Fe  Fe27  1  0.333908  0.913584  0.553601  1
  Fe  Fe28  1  0.833972  0.777943  0.576125  1
  Fe  Fe29  1  0.169851  0.141495  0.599173  1
  Fe  Fe30  1  0.670010  0.006465  0.621453  1
  Fe  Fe31  1  0.333654  0.641495  0.599173  1
  Fe  Fe32  1  0.833495  0.506465  0.621453  1
  Fe  Fe33  1  0.173144  0.870023  0.644999  1
  Fe  Fe34  1  0.677241  0.733463  0.666596  1
  Fe  Fe35  1  0.330361  0.370023  0.644999  1
  Fe  Fe36  1  0.826263  0.233463  0.666596  1
  Fe  Fe37  1  0.177637  0.595426  0.690886  1
  Fe  Fe38  1  0.675003  0.468478  0.711818  1
  Fe  Fe39  1  0.325868  0.095426  0.690886  1
  Fe  Fe40  1  0.828502  0.968478  0.711818  1
