# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90923203
_cell_length_b   6.32146461
_cell_length_c   48.85601559
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.86648595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al16 Fe32'
_cell_volume   1147.36976544
_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
  Al  Al1  1  0.402713  0.708111  0.269596  1
  Al  Al2  1  0.231604  0.050684  0.300735  1
  Al  Al3  1  0.059634  0.394619  0.329973  1
  Al  Al4  1  0.888958  0.735714  0.359258  1
  Al  Al5  1  0.718754  0.076028  0.388665  1
  Al  Al6  1  0.548369  0.416701  0.418041  1
  Al  Al7  1  0.377978  0.757348  0.447407  1
  Al  Al8  1  0.207611  0.097964  0.476775  1
  Al  Al9  1  0.037246  0.438581  0.506143  1
  Al  Al10  1  0.866878  0.779197  0.535511  1
  Al  Al11  1  0.696488  0.119844  0.564877  1
  Al  Al12  1  0.526103  0.460518  0.594253  1
  Al  Al13  1  0.355899  0.800831  0.623660  1
  Al  Al14  1  0.185222  0.141927  0.652945  1
  Al  Al15  1  0.013253  0.485862  0.682183  1
  Al  Al16  1  0.842143  0.828434  0.713322  1
  Fe  Fe17  1  0.570238  0.373690  0.299830  1
  Fe  Fe18  1  0.734781  0.044589  0.269014  1
  Fe  Fe19  1  0.056392  0.401313  0.271279  1
  Fe  Fe20  1  0.886950  0.739740  0.301863  1
  Fe  Fe21  1  0.230753  0.052247  0.357969  1
  Fe  Fe22  1  0.401153  0.711518  0.328706  1
  Fe  Fe23  1  0.717832  0.077991  0.331169  1
  Fe  Fe24  1  0.547491  0.418621  0.360697  1
  Fe  Fe25  1  0.890042  0.733442  0.416706  1
  Fe  Fe26  1  0.060376  0.392921  0.387338  1
  Fe  Fe27  1  0.376992  0.759442  0.390001  1
  Fe  Fe28  1  0.206638  0.100042  0.419371  1
  Fe  Fe29  1  0.549315  0.414667  0.475441  1
  Fe  Fe30  1  0.719683  0.074043  0.446073  1
  Fe  Fe31  1  0.036281  0.440646  0.448742  1
  Fe  Fe32  1  0.865911  0.781261  0.478110  1
  Fe  Fe33  1  0.208576  0.095899  0.534176  1
  Fe  Fe34  1  0.378946  0.755284  0.504808  1
  Fe  Fe35  1  0.695541  0.121879  0.507477  1
  Fe  Fe36  1  0.525173  0.462502  0.536845  1
  Fe  Fe37  1  0.867864  0.777104  0.592917  1
  Fe  Fe38  1  0.038219  0.436504  0.563547  1
  Fe  Fe39  1  0.354814  0.803104  0.566212  1
  Fe  Fe40  1  0.184480  0.143624  0.595580  1
  Fe  Fe41  1  0.527025  0.458554  0.651749  1
  Fe  Fe42  1  0.697365  0.117924  0.622221  1
  Fe  Fe43  1  0.014103  0.484299  0.624949  1
  Fe  Fe44  1  0.843704  0.825027  0.654212  1
  Fe  Fe45  1  0.188465  0.135232  0.711639  1
  Fe  Fe46  1  0.357907  0.796806  0.681055  1
  Fe  Fe47  1  0.674619  0.162855  0.683088  1
  Fe  Fe48  1  0.510075  0.491957  0.713904  1
