# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04266980
_cell_length_b   2.78973406
_cell_length_c   83.03363493
_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   'Al18 Fe18'
_cell_volume   936.451146441
_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  1.069337  0.947393  0.089860  1
  Al  Al2  1  0.569337  0.947393  0.112074  1
  Al  Al3  1  0.069337  0.947393  0.137769  1
  Al  Al4  1  0.569337  0.947393  0.161768  1
  Al  Al5  1  1.069337  0.947393  0.186550  1
  Al  Al6  1  0.569337  0.947393  0.210953  1
  Al  Al7  1  0.069337  0.947393  0.235538  1
  Al  Al8  1  0.569337  0.947393  0.260031  1
  Al  Al9  1  0.069337  0.947393  0.284576  1
  Al  Al10  1  0.569337  0.947393  0.309080  1
  Al  Al11  1  1.069337  0.947393  0.333639  1
  Al  Al12  1  0.569337  0.947393  0.358097  1
  Al  Al13  1  0.069337  0.947393  0.382759  1
  Al  Al14  1  0.569337  0.947393  0.407001  1
  Al  Al15  1  1.069337  0.947393  0.432140  1
  Al  Al16  1  0.569337  0.947393  0.455440  1
  Al  Al17  1  0.069337  0.947393  0.482738  1
  Al  Al18  1  0.569337  0.947393  0.504460  1
  Fe  Fe19  1  0.069337  1.447393  0.065587  1
  Fe  Fe20  1  0.569337  1.447393  0.086802  1
  Fe  Fe21  1  1.069337  1.447393  0.113648  1
  Fe  Fe22  1  0.569337  1.447393  0.137020  1
  Fe  Fe23  1  1.069337  1.447393  0.162116  1
  Fe  Fe24  1  0.569337  1.447393  0.186382  1
  Fe  Fe25  1  0.069337  1.447393  0.211034  1
  Fe  Fe26  1  0.569337  1.447393  0.235497  1
  Fe  Fe27  1  1.069337  1.447393  0.260054  1
  Fe  Fe28  1  0.569337  1.447393  0.284558  1
  Fe  Fe29  1  0.069337  1.447393  0.309104  1
  Fe  Fe30  1  0.569337  1.447393  0.333594  1
  Fe  Fe31  1  1.069337  1.447393  0.358187  1
  Fe  Fe32  1  0.569337  1.447393  0.382572  1
  Fe  Fe33  1  0.069337  1.447393  0.407397  1
  Fe  Fe34  1  0.569337  1.447393  0.431319  1
  Fe  Fe35  1  0.069337  1.447393  0.457168  1
  Fe  Fe36  1  0.569337  1.447393  0.479240  1
