# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82103032
_cell_length_b   6.42414814
_cell_length_c   46.46163397
_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   Fe32
_cell_volume   842.011028761
_cell_formula_units_Z   32
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  0.508059  0.075562  0.324508  1
  Fe  Fe2  1  0.508059  0.688413  0.294962  1
  Fe  Fe3  1  1.008059  0.374743  0.307989  1
  Fe  Fe4  1  1.008059  0.000716  0.282346  1
  Fe  Fe5  1  0.508059  0.875658  0.378474  1
  Fe  Fe6  1  0.508059  0.475722  0.349889  1
  Fe  Fe7  1  1.008059  0.178652  0.365153  1
  Fe  Fe8  1  1.008059  0.775273  0.336567  1
  Fe  Fe9  1  0.508059  0.674800  0.433943  1
  Fe  Fe10  1  0.508059  0.276394  0.406543  1
  Fe  Fe11  1  1.008059  0.975245  0.420189  1
  Fe  Fe12  1  1.008059  0.575177  0.392040  1
  Fe  Fe13  1  0.508059  0.474162  0.489730  1
  Fe  Fe14  1  0.508059  0.074459  0.461884  1
  Fe  Fe15  1  1.008059  0.774201  0.475752  1
  Fe  Fe16  1  1.008059  0.375161  0.448095  1
  Fe  Fe17  1  0.508059  0.272588  0.545193  1
  Fe  Fe18  1  0.508059  0.873548  0.517535  1
  Fe  Fe19  1  1.008059  0.573290  0.531403  1
  Fe  Fe20  1  1.008059  0.173587  0.503557  1
  Fe  Fe21  1  0.508059  0.072572  0.601247  1
  Fe  Fe22  1  0.508059  0.672504  0.573099  1
  Fe  Fe23  1  1.008059  0.371355  0.586745  1
  Fe  Fe24  1  1.008059  0.972949  0.559344  1
  Fe  Fe25  1  0.508059  0.872476  0.656720  1
  Fe  Fe26  1  0.508059  0.469098  0.628135  1
  Fe  Fe27  1  1.008059  0.172028  0.643399  1
  Fe  Fe28  1  1.008059  0.772091  0.614813  1
  Fe  Fe29  1  0.508059  0.647033  0.710941  1
  Fe  Fe30  1  0.508059  0.273006  0.685298  1
  Fe  Fe31  1  1.008059  0.959337  0.698325  1
  Fe  Fe32  1  1.008059  0.572188  0.668779  1
