# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84454341
_cell_length_b   6.36497000
_cell_length_c   46.09962878
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   57.37962991
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al22 Fe44'
_cell_volume   1691.55007356
_cell_formula_units_Z   22
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  0.830466  0.202919  0.295405  1
  Al  Al2  1  0.590337  0.652977  0.314886  1
  Al  Al3  1  0.379944  0.087905  0.336221  1
  Al  Al4  1  0.158175  0.523913  0.355205  1
  Al  Al5  1  0.945195  0.956719  0.375783  1
  Al  Al6  1  0.725976  0.388845  0.395678  1
  Al  Al7  1  0.508546  0.821811  0.415470  1
  Al  Al8  1  0.292302  0.254757  0.435547  1
  Al  Al9  1  0.075148  0.687805  0.455559  1
  Al  Al10  1  0.858548  0.120795  0.475637  1
  Al  Al11  1  0.641420  0.553834  0.495630  1
  Al  Al12  1  0.424391  0.986820  0.515647  1
  Al  Al13  1  0.207957  0.419704  0.535738  1
  Al  Al14  1  0.990547  0.852820  0.555613  1
  Al  Al15  1  0.773469  0.285705  0.575553  1
  Al  Al16  1  0.556800  0.718207  0.595710  1
  Al  Al17  1  0.338763  0.151462  0.615619  1
  Al  Al18  1  0.124230  0.585298  0.636086  1
  Al  Al19  1  0.903397  0.020436  0.655203  1
  Al  Al20  1  0.700264  0.449470  0.677322  1
  Al  Al21  1  0.458938  0.894890  0.695707  1
  Al  Al22  1  0.194500  0.343136  0.715385  1
  Fe  Fe23  1  0.244695  0.067538  0.288060  1
  Fe  Fe24  1  0.002225  0.506255  0.306490  1
  Fe  Fe25  1  0.643770  0.947966  0.283143  1
  Fe  Fe26  1  0.400876  0.386774  0.302425  1
  Fe  Fe27  1  0.789929  0.928421  0.329596  1
  Fe  Fe28  1  0.575471  0.358661  0.348154  1
  Fe  Fe29  1  0.173970  0.823667  0.322386  1
  Fe  Fe30  1  0.963030  0.256615  0.342712  1
  Fe  Fe31  1  0.358055  0.790308  0.367719  1
  Fe  Fe32  1  0.142117  0.223876  0.387857  1
  Fe  Fe33  1  0.742602  0.685556  0.362973  1
  Fe  Fe34  1  0.527933  0.120688  0.383473  1
  Fe  Fe35  1  0.924712  0.656983  0.407855  1
  Fe  Fe36  1  0.708755  0.089517  0.428081  1
  Fe  Fe37  1  0.309380  0.554270  0.403077  1
  Fe  Fe38  1  0.093445  0.987249  0.423276  1
  Fe  Fe39  1  0.491227  0.522802  0.447972  1
  Fe  Fe40  1  0.274508  0.955733  0.468031  1
  Fe  Fe41  1  0.876291  0.420181  0.443216  1
  Fe  Fe42  1  0.659094  0.852832  0.463166  1
  Fe  Fe43  1  0.057594  0.388771  0.488053  1
  Fe  Fe44  1  0.840431  0.821654  0.508006  1
  Fe  Fe45  1  0.442346  0.285865  0.483200  1
  Fe  Fe46  1  0.225333  0.718813  0.503225  1
  Fe  Fe47  1  0.623551  0.254577  0.528012  1
  Fe  Fe48  1  0.406708  0.687353  0.548070  1
  Fe  Fe49  1  0.008390  0.151983  0.523237  1
  Fe  Fe50  1  0.791667  0.584968  0.543273  1
  Fe  Fe51  1  0.189566  0.120635  0.568024  1
  Fe  Fe52  1  0.973434  0.554240  0.588146  1
  Fe  Fe53  1  0.574319  0.017882  0.563251  1
  Fe  Fe54  1  0.358556  0.450551  0.583514  1
  Fe  Fe55  1  0.754717  0.987196  0.607977  1
  Fe  Fe56  1  0.540651  0.420529  0.628776  1
  Fe  Fe57  1  0.140514  0.883564  0.603250  1
  Fe  Fe58  1  0.922611  0.317714  0.622903  1
  Fe  Fe59  1  0.321382  0.849659  0.648171  1
  Fe  Fe60  1  0.109184  0.278725  0.666503  1
  Fe  Fe61  1  0.707053  0.748896  0.643327  1
  Fe  Fe62  1  0.489630  0.182159  0.662821  1
  Fe  Fe63  1  0.883097  0.723171  0.688560  1
  Fe  Fe64  1  0.640201  0.157645  0.709118  1
  Fe  Fe65  1  0.281246  0.608682  0.684403  1
  Fe  Fe66  1  0.041530  0.047832  0.703446  1
