# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54162975
_cell_length_b   4.42000478
_cell_length_c   47.40004664
_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   Fe20
_cell_volume   532.49286561
_cell_formula_units_Z   20
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  0.710234  0.880511  0.282045  1
  Fe  Fe2  1  0.210234  0.380511  0.282045  1
  Fe  Fe3  1  0.210234  0.712151  0.326902  1
  Fe  Fe4  1  0.710234  0.212151  0.326902  1
  Fe  Fe5  1  0.710234  0.544002  0.372253  1
  Fe  Fe6  1  0.210234  1.044002  0.372253  1
  Fe  Fe7  1  0.210234  0.375849  0.417592  1
  Fe  Fe8  1  0.710234  0.875849  0.417592  1
  Fe  Fe9  1  0.710234  0.207696  0.462932  1
  Fe  Fe10  1  0.210234  0.707696  0.462932  1
  Fe  Fe11  1  0.210234  1.039542  0.508271  1
  Fe  Fe12  1  0.710234  0.539542  0.508271  1
  Fe  Fe13  1  0.710234  0.871389  0.553611  1
  Fe  Fe14  1  0.210234  0.371389  0.553611  1
  Fe  Fe15  1  0.710234  0.539543  0.598950  1
  Fe  Fe16  1  0.210234  1.039543  0.598950  1
  Fe  Fe17  1  0.210234  0.707691  0.644301  1
  Fe  Fe18  1  0.710234  0.207691  0.644301  1
  Fe  Fe19  1  0.710234  0.539331  0.689158  1
  Fe  Fe20  1  0.210234  1.039331  0.689158  1
