# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06634319
_cell_length_b   7.39252107
_cell_length_c   42.13492176
_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   Fe48
_cell_volume   1266.59798323
_cell_formula_units_Z   48
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  0.765138  0.239911  0.365009  1
  Fe  Fe2  1  0.765138  -0.027442  0.330291  1
  Fe  Fe3  1  0.765138  0.610826  0.348366  1
  Fe  Fe4  1  0.265138  0.154500  0.323308  1
  Fe  Fe5  1  0.265138  0.794893  0.339506  1
  Fe  Fe6  1  0.265138  0.426813  0.357417  1
  Fe  Fe7  1  0.765138  0.130051  0.421835  1
  Fe  Fe8  1  0.765138  0.868544  0.385392  1
  Fe  Fe9  1  0.765138  0.497922  0.403423  1
  Fe  Fe10  1  0.265138  0.053517  0.376625  1
  Fe  Fe11  1  0.265138  0.684032  0.394640  1
  Fe  Fe12  1  0.265138  0.314697  0.412788  1
  Fe  Fe13  1  0.765138  0.019118  0.477734  1
  Fe  Fe14  1  0.765138  0.758253  0.440831  1
  Fe  Fe15  1  0.765138  0.388881  0.459232  1
  Fe  Fe16  1  0.265138  0.943884  0.431806  1
  Fe  Fe17  1  0.265138  0.573624  0.450123  1
  Fe  Fe18  1  0.265138  0.204355  0.468530  1
  Fe  Fe19  1  0.765138  0.908893  0.533450  1
  Fe  Fe20  1  0.765138  0.648597  0.496461  1
  Fe  Fe21  1  0.765138  0.278839  0.514923  1
  Fe  Fe22  1  0.265138  0.833695  0.487255  1
  Fe  Fe23  1  0.265138  0.463764  0.505748  1
  Fe  Fe24  1  0.265138  0.094000  0.524206  1
  Fe  Fe25  1  0.765138  0.798853  0.589070  1
  Fe  Fe26  1  0.765138  0.538547  0.552120  1
  Fe  Fe27  1  0.765138  0.168784  0.570577  1
  Fe  Fe28  1  0.265138  0.723655  0.542875  1
  Fe  Fe29  1  0.265138  0.353709  0.561402  1
  Fe  Fe30  1  0.265138  -0.016049  0.579864  1
  Fe  Fe31  1  0.765138  0.688664  0.644519  1
  Fe  Fe32  1  0.765138  0.428193  0.607795  1
  Fe  Fe33  1  0.765138  0.058924  0.626202  1
  Fe  Fe34  1  0.265138  0.613430  0.598591  1
  Fe  Fe35  1  0.265138  0.243667  0.617093  1
  Fe  Fe36  1  0.265138  0.874295  0.635494  1
  Fe  Fe37  1  0.765138  0.579031  0.699700  1
  Fe  Fe38  1  0.765138  0.317851  0.663537  1
  Fe  Fe39  1  0.765138  0.948516  0.681685  1
  Fe  Fe40  1  0.265138  0.502497  0.654490  1
  Fe  Fe41  1  0.265138  0.134626  0.672902  1
  Fe  Fe42  1  0.265138  0.764004  0.690933  1
  Fe  Fe43  1  0.765138  0.478048  0.753017  1
  Fe  Fe44  1  0.765138  0.205735  0.718908  1
  Fe  Fe45  1  0.765138  0.837655  0.736819  1
  Fe  Fe46  1  0.265138  0.392637  0.711316  1
  Fe  Fe47  1  0.265138  0.021722  0.727959  1
  Fe  Fe48  1  0.265138  0.659990  0.746034  1
