# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57917200
_cell_length_b   6.10448842
_cell_length_c   49.14007059
_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   Fe28
_cell_volume   773.687099386
_cell_formula_units_Z   28
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  0.502746  0.277244  0.284009  1
  Fe  Fe2  1  0.002746  0.014052  0.314786  1
  Fe  Fe3  1  0.002746  0.609762  0.303226  1
  Fe  Fe4  1  0.502746  0.338368  0.336426  1
  Fe  Fe5  1  0.502746  0.747988  0.346097  1
  Fe  Fe6  1  0.002746  0.480991  0.377645  1
  Fe  Fe7  1  0.002746  0.069253  0.367355  1
  Fe  Fe8  1  0.502746  0.801588  0.398375  1
  Fe  Fe9  1  0.502746  0.211778  0.408896  1
  Fe  Fe10  1  0.002746  0.942868  0.440055  1
  Fe  Fe11  1  0.002746  0.533078  0.429602  1
  Fe  Fe12  1  0.502746  0.264253  0.460809  1
  Fe  Fe13  1  0.502746  0.674161  0.471255  1
  Fe  Fe14  1  0.002746  0.405426  0.502456  1
  Fe  Fe15  1  0.002746  0.995499  0.491998  1
  Fe  Fe16  1  0.502746  0.726763  0.523198  1
  Fe  Fe17  1  0.502746  0.136671  0.533645  1
  Fe  Fe18  1  0.002746  0.867847  0.564852  1
  Fe  Fe19  1  0.002746  0.458057  0.554399  1
  Fe  Fe20  1  0.502746  0.189147  0.585557  1
  Fe  Fe21  1  0.502746  0.599337  0.596079  1
  Fe  Fe22  1  0.002746  0.331671  0.627099  1
  Fe  Fe23  1  0.002746  0.919933  0.616808  1
  Fe  Fe24  1  0.502746  0.652937  0.648357  1
  Fe  Fe25  1  0.502746  0.062556  0.658027  1
  Fe  Fe26  1  0.002746  0.791162  0.691227  1
  Fe  Fe27  1  0.002746  0.386872  0.679668  1
  Fe  Fe28  1  0.502746  0.123680  0.710444  1
