# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.29270042
_cell_length_b   2.41761011
_cell_length_c   60.81142513
_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   Fe13
_cell_volume   337.068956296
_cell_formula_units_Z   13
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  0.734592  0.425700  0.193271  1
  Fe  Fe2  1  0.234592  0.925700  0.225757  1
  Fe  Fe3  1  0.734592  0.425700  0.258511  1
  Fe  Fe4  1  0.234592  0.925700  0.291262  1
  Fe  Fe5  1  0.734592  0.425700  0.324012  1
  Fe  Fe6  1  0.234592  0.925700  0.356763  1
  Fe  Fe7  1  0.734592  0.425700  0.389514  1
  Fe  Fe8  1  0.234592  0.925700  0.422264  1
  Fe  Fe9  1  0.734592  0.425700  0.455015  1
  Fe  Fe10  1  0.234592  0.925700  0.487766  1
  Fe  Fe11  1  0.734592  0.425700  0.520516  1
  Fe  Fe12  1  0.234592  0.925700  0.553270  1
  Fe  Fe13  1  0.734592  0.425700  0.585757  1
