# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49492107
_cell_length_b   4.89266981
_cell_length_c   48.64922429
_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   1069.90174997
_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  0.166849  0.983074  0.285069  1
  Fe  Fe2  1  0.667508  0.854451  0.305653  1
  Fe  Fe3  1  0.337121  0.483074  0.285069  1
  Fe  Fe4  1  0.836461  0.354451  0.305653  1
  Fe  Fe5  1  0.167153  0.708604  0.329262  1
  Fe  Fe6  1  0.667729  0.574817  0.351000  1
  Fe  Fe7  1  0.336817  0.208604  0.329262  1
  Fe  Fe8  1  0.836241  0.074817  0.351000  1
  Fe  Fe9  1  0.168048  0.431735  0.374403  1
  Fe  Fe10  1  0.668943  0.293660  0.396791  1
  Fe  Fe11  1  0.335922  0.931735  0.374403  1
  Fe  Fe12  1  0.835027  0.793660  0.396791  1
  Fe  Fe13  1  0.168525  0.151984  0.419823  1
  Fe  Fe14  1  0.668902  0.012497  0.442479  1
  Fe  Fe15  1  0.335445  0.651984  0.419823  1
  Fe  Fe16  1  0.835068  0.512497  0.442479  1
  Fe  Fe17  1  0.168737  0.871527  0.465364  1
  Fe  Fe18  1  0.668822  0.731528  0.488103  1
  Fe  Fe19  1  0.335233  0.371527  0.465364  1
  Fe  Fe20  1  0.835148  0.231528  0.488103  1
  Fe  Fe21  1  0.168822  0.590770  0.510953  1
  Fe  Fe22  1  0.668737  0.450771  0.533692  1
  Fe  Fe23  1  0.335148  0.090770  0.510953  1
  Fe  Fe24  1  0.835233  0.950771  0.533692  1
  Fe  Fe25  1  0.168902  0.309801  0.556577  1
  Fe  Fe26  1  0.668525  0.170314  0.579233  1
  Fe  Fe27  1  0.335068  0.809801  0.556577  1
  Fe  Fe28  1  0.835445  0.670314  0.579233  1
  Fe  Fe29  1  0.168943  0.028638  0.602265  1
  Fe  Fe30  1  0.668048  0.890563  0.624653  1
  Fe  Fe31  1  0.335027  0.528638  0.602265  1
  Fe  Fe32  1  0.835922  0.390563  0.624653  1
  Fe  Fe33  1  0.167729  0.747481  0.648056  1
  Fe  Fe34  1  0.667153  0.613694  0.669794  1
  Fe  Fe35  1  0.336241  0.247481  0.648056  1
  Fe  Fe36  1  0.836817  0.113694  0.669794  1
  Fe  Fe37  1  0.167508  0.467847  0.693403  1
  Fe  Fe38  1  0.666849  0.339224  0.713987  1
  Fe  Fe39  1  0.336461  0.967847  0.693403  1
  Fe  Fe40  1  0.837121  0.839224  0.713987  1
