# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55976690
_cell_length_b   2.55976690
_cell_length_c   71.18278660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe15
_cell_volume   403.930320445
_cell_formula_units_Z   15
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  0.235754  0.304841  0.112776  1
  Fe  Fe2  1  0.902421  0.971508  0.141767  1
  Fe  Fe3  1  0.569087  0.638175  0.171239  1
  Fe  Fe4  1  0.235754  0.304841  0.200700  1
  Fe  Fe5  1  0.902421  0.971508  0.230160  1
  Fe  Fe6  1  0.569087  0.638175  0.259621  1
  Fe  Fe7  1  0.235754  0.304841  0.289082  1
  Fe  Fe8  1  0.902421  0.971508  0.318543  1
  Fe  Fe9  1  0.569087  0.638175  0.348004  1
  Fe  Fe10  1  0.235754  0.304841  0.377465  1
  Fe  Fe11  1  0.902421  0.971508  0.406926  1
  Fe  Fe12  1  0.569087  0.638175  0.436387  1
  Fe  Fe13  1  0.235754  0.304841  0.465847  1
  Fe  Fe14  1  0.902421  0.971508  0.495319  1
  Fe  Fe15  1  0.569087  0.638175  0.524310  1
