# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81686692
_cell_length_b   8.98469143
_cell_length_c   49.18355691
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al24 Fe24'
_cell_volume   1244.77090474
_cell_formula_units_Z   24
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  1.006118  0.102654  0.307868  1
  Al  Al2  1  1.006118  0.813180  0.289923  1
  Al  Al3  1  1.006118  0.526125  0.272661  1
  Al  Al4  1  1.006118  0.006980  0.365362  1
  Al  Al5  1  1.006118  0.706880  0.347948  1
  Al  Al6  1  1.006118  0.408056  0.328524  1
  Al  Al7  1  1.006118  0.905025  0.421323  1
  Al  Al8  1  1.006118  0.604729  0.402588  1
  Al  Al9  1  1.006118  0.303176  0.383311  1
  Al  Al10  1  1.006118  0.802441  0.476579  1
  Al  Al11  1  1.006118  0.502145  0.457737  1
  Al  Al12  1  1.006118  0.203451  0.439447  1
  Al  Al13  1  1.006118  0.699853  0.531787  1
  Al  Al14  1  1.006118  0.400948  0.513482  1
  Al  Al15  1  1.006118  0.102347  0.495264  1
  Al  Al16  1  1.006118  0.598242  0.587409  1
  Al  Al17  1  1.006118  0.300404  0.569509  1
  Al  Al18  1  1.006118  1.000360  0.550632  1
  Al  Al19  1  1.006118  0.499082  0.644390  1
  Al  Al20  1  1.006118  0.199692  0.624794  1
  Al  Al21  1  1.006118  0.896247  0.605554  1
  Al  Al22  1  1.006118  0.390791  0.700039  1
  Al  Al23  1  1.006118  0.092656  0.678264  1
  Al  Al24  1  1.006118  0.798232  0.660647  1
  Fe  Fe25  1  0.506118  0.904211  0.329021  1
  Fe  Fe26  1  0.506118  0.612016  0.311429  1
  Fe  Fe27  1  0.506118  0.315808  0.291302  1
  Fe  Fe28  1  0.506118  0.807032  0.384511  1
  Fe  Fe29  1  0.506118  0.504977  0.365692  1
  Fe  Fe30  1  0.506118  0.204083  0.345764  1
  Fe  Fe31  1  0.506118  0.703614  0.439576  1
  Fe  Fe32  1  0.506118  0.402836  0.420579  1
  Fe  Fe33  1  0.506118  0.104659  0.402428  1
  Fe  Fe34  1  0.506118  0.601043  0.494792  1
  Fe  Fe35  1  0.506118  0.302184  0.476470  1
  Fe  Fe36  1  0.506118  0.003641  0.458263  1
  Fe  Fe37  1  0.506118  0.499548  0.550473  1
  Fe  Fe38  1  0.506118  0.201417  0.532344  1
  Fe  Fe39  1  0.506118  0.901337  0.513599  1
  Fe  Fe40  1  0.506118  0.400645  0.606774  1
  Fe  Fe41  1  0.506118  0.099202  0.587743  1
  Fe  Fe42  1  0.506118  0.798429  0.568686  1
  Fe  Fe43  1  0.506118  0.297794  0.662019  1
  Fe  Fe44  1  0.506118  0.996482  0.641826  1
  Fe  Fe45  1  0.506118  0.695594  0.624302  1
  Fe  Fe46  1  0.506118  0.172141  0.716321  1
  Fe  Fe47  1  0.506118  0.891004  0.698728  1
  Fe  Fe48  1  0.506118  0.602158  0.681611  1
