# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83174602
_cell_length_b   2.83174602
_cell_length_c   49.02554476
_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   Fe16
_cell_volume   393.125328108
_cell_formula_units_Z   16
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  0.504161  0.504161  0.304220  1
  Fe  Fe2  1  0.004161  0.004161  0.274090  1
  Fe  Fe3  1  0.504161  0.504161  0.362750  1
  Fe  Fe4  1  0.004161  0.004161  0.333296  1
  Fe  Fe5  1  0.504161  0.504161  0.421546  1
  Fe  Fe6  1  0.004161  0.004161  0.392142  1
  Fe  Fe7  1  0.504161  0.504161  0.480350  1
  Fe  Fe8  1  0.004161  0.004161  0.450948  1
  Fe  Fe9  1  0.504161  0.504161  0.539154  1
  Fe  Fe10  1  0.004161  0.004161  0.509752  1
  Fe  Fe11  1  0.504161  0.504161  0.597960  1
  Fe  Fe12  1  0.004161  0.004161  0.568556  1
  Fe  Fe13  1  0.504161  0.504161  0.656806  1
  Fe  Fe14  1  0.004161  0.004161  0.627353  1
  Fe  Fe15  1  0.504161  0.504161  0.716012  1
  Fe  Fe16  1  0.004161  0.004161  0.685882  1
