# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56847518
_cell_length_b   6.13229850
_cell_length_c   49.30536536
_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   Fe28
_cell_volume   776.591873474
_cell_formula_units_Z   28
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  0.510154  0.226163  0.284763  1
  Fe  Fe2  1  1.010154  0.958101  0.314026  1
  Fe  Fe3  1  1.010154  0.550407  0.303583  1
  Fe  Fe4  1  0.510154  0.282625  0.335356  1
  Fe  Fe5  1  0.510154  0.691559  0.345030  1
  Fe  Fe6  1  0.010154  0.423689  0.376813  1
  Fe  Fe7  1  1.010154  0.012672  0.365879  1
  Fe  Fe8  1  0.510154  0.744686  0.397358  1
  Fe  Fe9  1  0.510154  0.153873  0.407772  1
  Fe  Fe10  1  0.010154  0.884112  0.439100  1
  Fe  Fe11  1  1.010154  0.473967  0.428868  1
  Fe  Fe12  1  0.510154  0.204056  0.460107  1
  Fe  Fe13  1  0.510154  0.614270  0.470520  1
  Fe  Fe14  1  0.010154  0.344081  0.501849  1
  Fe  Fe15  1  1.010154  0.934292  0.491447  1
  Fe  Fe16  1  0.510154  0.664103  0.522775  1
  Fe  Fe17  1  0.510154  0.074317  0.533188  1
  Fe  Fe18  1  0.010154  0.804406  0.564427  1
  Fe  Fe19  1  1.010154  0.394261  0.554195  1
  Fe  Fe20  1  0.510154  0.124500  0.585524  1
  Fe  Fe21  1  0.510154  0.533687  0.595938  1
  Fe  Fe22  1  0.010154  0.265702  0.627416  1
  Fe  Fe23  1  1.010154  0.854684  0.616483  1
  Fe  Fe24  1  0.510154  0.586814  0.648266  1
  Fe  Fe25  1  0.510154  0.995748  0.657940  1
  Fe  Fe26  1  0.010154  0.727966  0.689712  1
  Fe  Fe27  1  0.010154  0.320272  0.679269  1
  Fe  Fe28  1  0.510154  0.052210  0.708533  1
