# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81765216
_cell_length_b   10.30496369
_cell_length_c   47.70387966
_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   'Al27 Fe27'
_cell_volume   1385.12046065
_cell_formula_units_Z   27
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  1.005977  0.368502  0.308348  1
  Al  Al2  1  1.005977  0.158409  0.276482  1
  Al  Al3  1  1.005977  0.761198  0.292168  1
  Al  Al4  1  1.005977  0.219145  0.360471  1
  Al  Al5  1  1.005977  0.985697  0.327017  1
  Al  Al6  1  1.005977  0.602954  0.343054  1
  Al  Al7  1  1.005977  0.064121  0.410070  1
  Al  Al8  1  1.005977  0.832998  0.376316  1
  Al  Al9  1  1.005977  0.448485  0.392750  1
  Al  Al10  1  1.005977  0.909506  0.459732  1
  Al  Al11  1  1.005977  0.678898  0.426315  1
  Al  Al12  1  1.005977  0.294738  0.443447  1
  Al  Al13  1  1.005977  0.755028  0.509563  1
  Al  Al14  1  1.005977  0.524796  0.476436  1
  Al  Al15  1  1.005977  0.140304  0.493318  1
  Al  Al16  1  1.005977  0.601016  0.559995  1
  Al  Al17  1  1.005977  0.370907  0.526801  1
  Al  Al18  1  1.005977  0.985786  0.543039  1
  Al  Al19  1  1.005977  0.447369  0.610416  1
  Al  Al20  1  1.005977  0.216613  0.576651  1
  Al  Al21  1  1.005977  0.830784  0.592510  1
  Al  Al22  1  1.005977  0.293126  0.659992  1
  Al  Al23  1  1.005977  0.062183  0.626404  1
  Al  Al24  1  1.005977  0.676965  0.643801  1
  Al  Al25  1  1.005977  0.125565  0.710724  1
  Al  Al26  1  1.005977  0.910847  0.674273  1
  Al  Al27  1  1.005977  0.523420  0.694604  1
  Fe  Fe28  1  0.505977  0.176402  0.319737  1
  Fe  Fe29  1  0.505977  0.959873  0.285354  1
  Fe  Fe30  1  0.505977  0.565403  0.301640  1
  Fe  Fe31  1  0.505977  0.025875  0.368526  1
  Fe  Fe32  1  0.505977  0.794270  0.334591  1
  Fe  Fe33  1  0.505977  0.409886  0.350748  1
  Fe  Fe34  1  0.505977  0.871347  0.418039  1
  Fe  Fe35  1  0.505977  0.640790  0.384670  1
  Fe  Fe36  1  0.505977  0.256863  0.401901  1
  Fe  Fe37  1  0.505977  0.716998  0.467952  1
  Fe  Fe38  1  0.505977  0.486586  0.434628  1
  Fe  Fe39  1  0.505977  0.102187  0.451685  1
  Fe  Fe40  1  0.505977  0.562948  0.518210  1
  Fe  Fe41  1  0.505977  0.332796  0.485099  1
  Fe  Fe42  1  0.505977  0.947643  0.501390  1
  Fe  Fe43  1  0.505977  0.409097  0.568582  1
  Fe  Fe44  1  0.505977  0.178422  0.534981  1
  Fe  Fe45  1  0.505977  0.792954  0.551086  1
  Fe  Fe46  1  0.505977  0.254763  0.618330  1
  Fe  Fe47  1  0.505977  0.023922  0.584705  1
  Fe  Fe48  1  0.505977  0.639299  0.601841  1
  Fe  Fe49  1  0.505977  0.101940  0.668068  1
  Fe  Fe50  1  0.505977  0.868246  0.633616  1
  Fe  Fe51  1  0.505977  0.485438  0.652278  1
  Fe  Fe52  1  0.505977  0.922077  0.716393  1
  Fe  Fe53  1  0.505977  0.720127  0.685538  1
  Fe  Fe54  1  0.505977  0.323839  0.701518  1
