# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83041791
_cell_length_b   2.83041791
_cell_length_c   49.05348718
_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   392.980512379
_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  0.504400  0.504400  0.303929  1
  Fe  Fe2  1  1.004400  1.004400  0.273809  1
  Fe  Fe3  1  0.504400  0.504400  0.362476  1
  Fe  Fe4  1  1.004400  1.004400  0.333023  1
  Fe  Fe5  1  0.504400  0.504400  0.421269  1
  Fe  Fe6  1  1.004400  1.004400  0.391865  1
  Fe  Fe7  1  0.504400  0.504400  0.480071  1
  Fe  Fe8  1  1.004400  1.004400  0.450670  1
  Fe  Fe9  1  0.504400  0.504400  0.538873  1
  Fe  Fe10  1  1.004400  1.004400  0.509472  1
  Fe  Fe11  1  0.504400  0.504400  0.597677  1
  Fe  Fe12  1  1.004400  1.004400  0.568274  1
  Fe  Fe13  1  0.504400  0.504400  0.656520  1
  Fe  Fe14  1  1.004400  1.004400  0.627067  1
  Fe  Fe15  1  0.504400  0.504400  0.715734  1
  Fe  Fe16  1  1.004400  1.004400  0.685614  1
