# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85108029
_cell_length_b   4.61964172
_cell_length_c   46.91633878
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   137.15337423
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al13 Fe26'
_cell_volume   1009.77532809
_cell_formula_units_Z   13
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  0.852249  0.676787  0.304879  1
  Al  Al2  1  0.162863  0.304936  0.339247  1
  Al  Al3  1  0.470696  0.922724  0.373360  1
  Al  Al4  1  0.778455  0.545189  0.406385  1
  Al  Al5  1  0.085411  0.162717  0.439845  1
  Al  Al6  1  0.392818  0.781011  0.473250  1
  Al  Al7  1  0.700028  0.399203  0.506659  1
  Al  Al8  1  0.007095  0.016874  0.540100  1
  Al  Al9  1  0.314688  0.636462  0.573324  1
  Al  Al10  1  0.620719  0.253578  0.606883  1
  Al  Al11  1  0.931929  0.876554  0.640269  1
  Al  Al12  1  0.237192  0.483434  0.675241  1
  Al  Al13  1  0.518351  0.135537  0.707434  1
  Fe  Fe14  1  0.110827  0.499937  0.293243  1
  Fe  Fe15  1  0.358415  0.312458  0.285706  1
  Fe  Fe16  1  0.383626  0.077853  0.328628  1
  Fe  Fe17  1  0.647953  0.937897  0.318085  1
  Fe  Fe18  1  0.689537  0.695791  0.360401  1
  Fe  Fe19  1  0.946573  0.543032  0.352012  1
  Fe  Fe20  1  0.994099  0.308929  0.393799  1
  Fe  Fe21  1  0.255270  0.162818  0.385669  1
  Fe  Fe22  1  0.301791  0.926979  0.427185  1
  Fe  Fe23  1  0.562565  0.780525  0.419246  1
  Fe  Fe24  1  0.608832  0.544694  0.460630  1
  Fe  Fe25  1  0.869711  0.399321  0.452503  1
  Fe  Fe26  1  0.916006  0.162985  0.494006  1
  Fe  Fe27  1  0.176739  0.017183  0.485904  1
  Fe  Fe28  1  0.223164  0.781302  0.527351  1
  Fe  Fe29  1  0.483879  0.635228  0.519316  1
  Fe  Fe30  1  0.530158  0.399107  0.560788  1
  Fe  Fe31  1  0.791440  0.253871  0.552694  1
  Fe  Fe32  1  0.838414  0.018818  0.594162  1
  Fe  Fe33  1  0.098022  0.870095  0.586237  1
  Fe  Fe34  1  0.143341  0.631142  0.628126  1
  Fe  Fe35  1  0.405580  0.491569  0.619135  1
  Fe  Fe36  1  0.451189  0.252438  0.659543  1
  Fe  Fe37  1  0.709599  0.103862  0.652748  1
  Fe  Fe38  1  0.735498  0.864985  0.695181  1
  Fe  Fe39  1  0.010424  0.714289  0.686457  1
