# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64150238
_cell_length_b   8.58634198
_cell_length_c   48.29824728
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.15707413
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al18 Fe18'
_cell_volume   1086.90959993
_cell_formula_units_Z   18
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  0.920328  1.100304  0.280070  1
  Al  Al2  1  0.180899  0.551424  0.301303  1
  Al  Al3  1  0.394180  1.022755  0.325694  1
  Al  Al4  1  0.629754  0.489497  0.348412  1
  Al  Al5  1  0.856081  0.950432  0.371482  1
  Al  Al6  1  0.082702  0.413740  0.394918  1
  Al  Al7  1  0.313445  0.879616  0.417907  1
  Al  Al8  1  0.527418  0.340202  0.441899  1
  Al  Al9  1  0.776294  0.804436  0.463869  1
  Al  Al10  1  0.180250  0.446417  0.522796  1
  Al  Al11  1  0.414712  0.912950  0.546345  1
  Al  Al12  1  0.638641  0.376233  0.570126  1
  Al  Al13  1  0.870277  0.838418  0.592298  1
  Al  Al14  1  0.095353  0.304081  0.617257  1
  Al  Al15  1  0.336453  0.768339  0.638616  1
  Al  Al16  1  0.543811  0.236244  0.665003  1
  Al  Al17  1  0.821201  0.711527  0.685473  1
  Al  Al18  1  0.431170  0.974429  0.702452  1
  Fe  Fe19  1  0.793950  0.811722  0.300599  1
  Fe  Fe20  1  1.016296  0.277208  0.323323  1
  Fe  Fe21  1  0.249749  0.742578  0.344297  1
  Fe  Fe22  1  0.477407  0.207676  0.367660  1
  Fe  Fe23  1  0.707115  0.671530  0.390525  1
  Fe  Fe24  1  0.929715  0.135592  0.413357  1
  Fe  Fe25  1  0.175213  0.599649  0.435577  1
  Fe  Fe26  1  0.410191  1.064781  0.459218  1
  Fe  Fe27  1  0.718353  0.525799  0.480167  1
  Fe  Fe28  1  0.946012  0.992217  0.503070  1
  Fe  Fe29  1  0.271291  0.728456  0.507065  1
  Fe  Fe30  1  0.558155  0.192817  0.529197  1
  Fe  Fe31  1  0.781712  0.652515  0.551340  1
  Fe  Fe32  1  1.017536  1.120783  0.573990  1
  Fe  Fe33  1  0.245694  0.581878  0.597468  1
  Fe  Fe34  1  0.475671  1.051744  0.617351  1
  Fe  Fe35  1  0.711312  0.514991  0.643467  1
  Fe  Fe36  1  0.937430  0.986105  0.658709  1
