# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.50509210
_cell_length_b   10.43244464
_cell_length_c   50.59021384
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al18 Fe36'
_cell_volume   1322.13651958
_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  0.503396  0.391479  0.299112  1
  Al  Al2  1  0.509066  0.033339  0.324474  1
  Al  Al3  1  0.558073  0.743628  0.274403  1
  Al  Al4  1  0.499457  0.318848  0.375671  1
  Al  Al5  1  0.505248  0.962425  0.401537  1
  Al  Al6  1  0.500074  0.675897  0.349894  1
  Al  Al7  1  0.500517  0.247970  0.452699  1
  Al  Al8  1  0.499580  0.890905  0.478324  1
  Al  Al9  1  0.500477  0.604988  0.427016  1
  Al  Al10  1  0.499254  0.176904  0.529659  1
  Al  Al11  1  0.494748  0.819530  0.555135  1
  Al  Al12  1  0.497959  0.533811  0.503907  1
  Al  Al13  1  0.499413  0.106135  0.606612  1
  Al  Al14  1  0.489361  0.748071  0.632155  1
  Al  Al15  1  0.496392  0.462603  0.580868  1
  Al  Al16  1  0.490051  0.032492  0.682415  1
  Al  Al17  1  0.478555  0.681434  0.708382  1
  Al  Al18  1  0.498676  0.391862  0.658052  1
  Fe  Fe19  1  0.122208  0.246900  0.332819  1
  Fe  Fe20  1  0.148132  0.959363  0.281140  1
  Fe  Fe21  1  0.099299  0.603546  0.307255  1
  Fe  Fe22  1  0.887575  0.176080  0.289593  1
  Fe  Fe23  1  0.899822  0.820157  0.316544  1
  Fe  Fe24  1  0.882098  0.461494  0.341730  1
  Fe  Fe25  1  0.120814  0.176386  0.409980  1
  Fe  Fe26  1  0.128105  0.891122  0.358919  1
  Fe  Fe27  1  0.120587  0.533488  0.384286  1
  Fe  Fe28  1  0.885340  0.105187  0.367236  1
  Fe  Fe29  1  0.881901  0.747616  0.392793  1
  Fe  Fe30  1  0.880853  0.390624  0.418438  1
  Fe  Fe31  1  0.119198  0.105287  0.486927  1
  Fe  Fe32  1  0.120034  0.819354  0.435552  1
  Fe  Fe33  1  0.118337  0.462182  0.461174  1
  Fe  Fe34  1  0.883090  0.033767  0.444233  1
  Fe  Fe35  1  0.880255  0.676561  0.469730  1
  Fe  Fe36  1  0.880146  0.319597  0.495423  1
  Fe  Fe37  1  0.116986  0.034232  0.563834  1
  Fe  Fe38  1  0.116237  0.748083  0.512431  1
  Fe  Fe39  1  0.116990  0.391079  0.538134  1
  Fe  Fe40  1  0.879262  0.962497  0.521089  1
  Fe  Fe41  1  0.877301  0.605335  0.546637  1
  Fe  Fe42  1  0.879775  0.248608  0.572408  1
  Fe  Fe43  1  0.107988  0.962843  0.640208  1
  Fe  Fe44  1  0.113174  0.676655  0.589351  1
  Fe  Fe45  1  0.117848  0.320197  0.615203  1
  Fe  Fe46  1  0.872938  0.890798  0.597808  1
  Fe  Fe47  1  0.874369  0.534195  0.623611  1
  Fe  Fe48  1  0.882600  0.178118  0.649477  1
  Fe  Fe49  1  0.078261  0.896591  0.717665  1
  Fe  Fe50  1  0.106063  0.604700  0.666336  1
  Fe  Fe51  1  0.139561  0.248161  0.692831  1
  Fe  Fe52  1  0.872471  0.820283  0.674511  1
  Fe  Fe53  1  0.868938  0.463785  0.701586  1
  Fe  Fe54  1  0.737737  0.111538  0.726962  1
