# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64371373
_cell_length_b   12.46233348
_cell_length_c   47.08755648
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.15096312
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al27 Fe27'
_cell_volume   1545.83368809
_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  0.199432  0.161639  0.260234  1
  Al  Al2  1  0.037222  0.489608  0.276445  1
  Al  Al3  1  0.855837  0.797634  0.291124  1
  Al  Al4  1  0.708491  1.128576  0.308423  1
  Al  Al5  1  0.552033  0.449346  0.324728  1
  Al  Al6  1  0.385707  0.773910  0.340505  1
  Al  Al7  1  0.228243  1.093604  0.356684  1
  Al  Al8  1  0.070148  0.416380  0.373097  1
  Al  Al9  1  0.910145  0.738074  0.389388  1
  Al  Al10  1  0.749623  1.060656  0.405571  1
  Al  Al11  1  0.593591  0.382467  0.421911  1
  Al  Al12  1  0.437336  0.704253  0.438338  1
  Al  Al13  1  0.275131  1.025887  0.454198  1
  Al  Al14  1  0.118900  0.350186  0.471223  1
  Al  Al15  1  0.783341  0.808037  0.521328  1
  Al  Al16  1  0.614786  1.129843  0.537464  1
  Al  Al17  1  0.418872  0.451311  0.552046  1
  Al  Al18  1  0.286307  0.772475  0.570069  1
  Al  Al19  1  0.128054  1.094827  0.586383  1
  Al  Al20  1  -0.039211  0.416955  0.601249  1
  Al  Al21  1  0.809051  0.738634  0.619331  1
  Al  Al22  1  0.643420  1.063607  0.635032  1
  Al  Al23  1  0.479893  0.384488  0.650174  1
  Al  Al24  1  0.335465  0.714140  0.669716  1
  Al  Al25  1  0.158297  1.024126  0.683287  1
  Al  Al26  1  -0.016333  0.361820  0.698972  1
  Al  Al27  1  0.407137  0.546657  0.712007  1
  Fe  Fe28  1  0.280666  0.974822  0.286503  1
  Fe  Fe29  1  0.125431  0.301153  0.300658  1
  Fe  Fe30  1  -0.031127  0.620914  0.318586  1
  Fe  Fe31  1  0.804250  0.943949  0.332020  1
  Fe  Fe32  1  0.646701  0.266510  0.348526  1
  Fe  Fe33  1  0.487072  0.589178  0.364819  1
  Fe  Fe34  1  0.326456  0.911068  0.380710  1
  Fe  Fe35  1  0.168628  0.233149  0.396842  1
  Fe  Fe36  1  0.013254  0.555143  0.412892  1
  Fe  Fe37  1  0.844645  0.877455  0.428451  1
  Fe  Fe38  1  0.685178  0.200584  0.444952  1
  Fe  Fe39  1  0.531600  0.520774  0.460599  1
  Fe  Fe40  1  0.295359  0.842934  0.475696  1
  Fe  Fe41  1  0.140344  0.164666  0.491745  1
  Fe  Fe42  1  0.943634  0.665829  0.484212  1
  Fe  Fe43  1  0.765803  0.990941  0.499958  1
  Fe  Fe44  1  0.640700  0.313685  0.516215  1
  Fe  Fe45  1  0.390480  0.632986  0.530349  1
  Fe  Fe46  1  0.213468  0.956080  0.547257  1
  Fe  Fe47  1  0.043278  0.277272  0.563242  1
  Fe  Fe48  1  0.862123  0.600512  0.577840  1
  Fe  Fe49  1  0.712612  0.922097  0.594974  1
  Fe  Fe50  1  0.548772  0.244810  0.610975  1
  Fe  Fe51  1  0.387982  0.568709  0.623733  1
  Fe  Fe52  1  0.228033  0.891467  0.641433  1
  Fe  Fe53  1  0.065342  0.213089  0.659498  1
  Fe  Fe54  1  0.908087  0.540803  0.667110  1
