# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.39112980
_cell_length_b   5.32037787
_cell_length_c   47.14513277
_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   Fe20
_cell_volume   599.766899803
_cell_formula_units_Z   20
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  -0.000336  0.145636  0.304949  1
  Fe  Fe2  1  -0.000336  0.737455  0.283084  1
  Fe  Fe3  1  0.999664  0.948293  0.350599  1
  Fe  Fe4  1  -0.000336  0.544745  0.328636  1
  Fe  Fe5  1  0.999664  0.749266  0.396201  1
  Fe  Fe6  1  -0.000336  0.346598  0.373878  1
  Fe  Fe7  1  -0.000336  0.550598  0.441729  1
  Fe  Fe8  1  -0.000336  0.148668  0.419249  1
  Fe  Fe9  1  0.999664  0.352120  0.487215  1
  Fe  Fe10  1  -0.000336  0.950489  0.464668  1
  Fe  Fe11  1  -0.000336  0.153787  0.532669  1
  Fe  Fe12  1  -0.000336  0.752156  0.510121  1
  Fe  Fe13  1  -0.000336  0.955609  0.578087  1
  Fe  Fe14  1  -0.000336  0.553679  0.555607  1
  Fe  Fe15  1  0.999664  0.757679  0.623458  1
  Fe  Fe16  1  -0.000336  0.355010  0.601136  1
  Fe  Fe17  1  -0.000336  0.559531  0.668700  1
  Fe  Fe18  1  -0.000336  0.155984  0.646737  1
  Fe  Fe19  1  -0.000336  0.366821  0.714252  1
  Fe  Fe20  1  -0.000336  0.958640  0.692387  1
