# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28889793
_cell_length_b   2.63505316
_cell_length_c   88.13213992
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.96063295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al27 Fe27'
_cell_volume   1455.01835126
_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  0.152725  1.179596  0.079681  1
  Al  Al2  1  0.511767  1.106908  0.092758  1
  Al  Al3  1  0.819951  1.168830  0.062419  1
  Al  Al4  1  0.265912  1.134546  0.127684  1
  Al  Al5  1  0.634098  1.100629  0.140408  1
  Al  Al6  1  0.887549  1.131741  0.111264  1
  Al  Al7  1  0.395780  1.114743  0.175181  1
  Al  Al8  1  0.764795  1.082986  0.187857  1
  Al  Al9  1  1.015263  1.109959  0.158367  1
  Al  Al10  1  0.528254  1.096173  0.222568  1
  Al  Al11  1  0.897845  1.064931  0.235218  1
  Al  Al12  1  0.146595  1.090300  0.205436  1
  Al  Al13  1  0.661841  1.077706  0.269901  1
  Al  Al14  1  1.031384  1.046643  0.282562  1
  Al  Al15  1  0.279762  1.071228  0.252493  1
  Al  Al16  1  0.794643  1.059604  0.317262  1
  Al  Al17  1  0.163781  1.028513  0.329970  1
  Al  Al18  1  0.412660  1.051980  0.299546  1
  Al  Al19  1  0.926309  1.041349  0.364711  1
  Al  Al20  1  0.294759  1.010417  0.377502  1
  Al  Al21  1  0.544325  1.032664  0.346581  1
  Al  Al22  1  1.055462  1.023262  0.412311  1
  Al  Al23  1  0.422882  0.992211  0.425229  1
  Al  Al24  1  0.673695  1.012493  0.393588  1
  Al  Al25  1  0.185496  1.016033  0.460136  1
  Al  Al26  1  0.543228  0.934721  0.473471  1
  Al  Al27  1  0.799847  0.990429  0.440526  1
  Fe  Fe28  1  0.163952  0.756805  0.054737  1
  Fe  Fe29  1  0.483246  1.593464  0.068130  1
  Fe  Fe30  1  0.832488  0.642268  0.087491  1
  Fe  Fe31  1  0.201999  0.647997  0.104187  1
  Fe  Fe32  1  0.569221  0.609941  0.116375  1
  Fe  Fe33  1  0.952080  0.619441  0.134767  1
  Fe  Fe34  1  0.329972  0.622990  0.151756  1
  Fe  Fe35  1  0.698251  1.594293  0.163886  1
  Fe  Fe36  1  0.081345  1.599587  0.181868  1
  Fe  Fe37  1  0.461770  0.603729  0.199165  1
  Fe  Fe38  1  0.830518  1.576066  0.211286  1
  Fe  Fe39  1  0.213235  1.580698  0.228959  1
  Fe  Fe40  1  0.595434  1.584920  0.246499  1
  Fe  Fe41  1  0.964365  1.557623  0.258621  1
  Fe  Fe42  1  0.346005  1.561848  0.276039  1
  Fe  Fe43  1  0.729079  1.566516  0.293830  1
  Fe  Fe44  1  0.097816  1.539150  0.305976  1
  Fe  Fe45  1  0.477617  1.543046  0.323112  1
  Fe  Fe46  1  0.861607  1.547947  0.341224  1
  Fe  Fe47  1  0.230264  1.520618  0.353414  1
  Fe  Fe48  1  0.607709  1.523814  0.370164  1
  Fe  Fe49  1  0.992386  1.529172  0.388735  1
  Fe  Fe50  1  0.360681  1.502049  0.401013  1
  Fe  Fe51  1  0.734692  1.503815  0.417180  1
  Fe  Fe52  1  0.120409  1.512248  0.436410  1
  Fe  Fe53  1  0.490528  1.479937  0.448689  1
  Fe  Fe54  1  0.855287  1.484996  0.463946  1
