# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58382099
_cell_length_b   4.15646078
_cell_length_c   47.57913615
_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   Fe18
_cell_volume   510.978540832
_cell_formula_units_Z   18
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  1.004185  0.251334  0.315283  1
  Fe  Fe2  1  0.504185  0.751334  0.300387  1
  Fe  Fe3  1  0.504185  0.251334  0.362615  1
  Fe  Fe4  1  1.004185  0.751334  0.346965  1
  Fe  Fe5  1  1.004185  0.251334  0.410455  1
  Fe  Fe6  1  0.504185  0.751334  0.394475  1
  Fe  Fe7  1  0.504185  0.251334  0.458218  1
  Fe  Fe8  1  1.004185  0.751334  0.442197  1
  Fe  Fe9  1  1.004185  0.251334  0.505963  1
  Fe  Fe10  1  0.504185  0.751334  0.489936  1
  Fe  Fe11  1  0.504185  0.251334  0.553702  1
  Fe  Fe12  1  1.004185  0.751334  0.537682  1
  Fe  Fe13  1  1.004185  0.251334  0.601424  1
  Fe  Fe14  1  0.504185  0.751334  0.585444  1
  Fe  Fe15  1  0.504185  0.251334  0.648934  1
  Fe  Fe16  1  1.004185  0.751334  0.633284  1
  Fe  Fe17  1  1.004185  0.251334  0.695513  1
  Fe  Fe18  1  0.504185  0.751334  0.680616  1
