# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79917051
_cell_length_b   5.18918244
_cell_length_c   63.07200689
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.23907550
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al15 Fe15'
_cell_volume   905.457383162
_cell_formula_units_Z   15
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  -0.085710  0.850168  0.250646  1
  Al  Al2  1  -0.085606  0.392044  0.192583  1
  Al  Al3  1  0.407380  1.131339  0.222465  1
  Al  Al4  1  0.527789  1.054875  0.341095  1
  Al  Al5  1  0.392401  0.577989  0.280590  1
  Al  Al6  1  -0.061380  1.304818  0.309974  1
  Al  Al7  1  0.496262  1.239650  0.431337  1
  Al  Al8  1  0.183017  0.784373  0.371187  1
  Al  Al9  1  0.837542  0.511207  0.401362  1
  Al  Al10  1  0.057157  0.453967  0.522860  1
  Al  Al11  1  0.071897  0.994501  0.462993  1
  Al  Al12  1  0.638588  0.710926  0.491010  1
  Al  Al13  1  0.550706  0.532617  0.603766  1
  Al  Al14  1  0.627938  1.147159  0.547660  1
  Al  Al15  1  -0.056319  0.913599  0.582524  1
  Fe  Fe16  1  0.439320  0.618482  0.222641  1
  Fe  Fe17  1  -0.102395  0.355084  0.251348  1
  Fe  Fe18  1  -0.050757  0.881584  0.195774  1
  Fe  Fe19  1  0.837907  0.829087  0.307209  1
  Fe  Fe20  1  0.362250  0.593274  0.333934  1
  Fe  Fe21  1  0.386155  1.084231  0.278873  1
  Fe  Fe22  1  0.509949  1.148314  0.386189  1
  Fe  Fe23  1  0.109185  0.915769  0.411400  1
  Fe  Fe24  1  -0.089339  0.380154  0.360981  1
  Fe  Fe25  1  0.185699  0.463743  0.464748  1
  Fe  Fe26  1  0.601586  1.214865  0.494305  1
  Fe  Fe27  1  0.652255  0.706553  0.438689  1
  Fe  Fe28  1  0.503978  0.687005  0.551749  1
  Fe  Fe29  1  0.086677  0.388147  0.573402  1
  Fe  Fe30  1  0.134411  0.929588  0.519723  1
