# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96692248
_cell_length_b   10.70184059
_cell_length_c   48.67732878
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.59484993
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al27 Fe54'
_cell_volume   2031.28651898
_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  0.512016  0.021218  0.311572  1
  Al  Al2  1  0.818440  0.632712  0.280578  1
  Al  Al3  1  0.176619  0.351008  0.294603  1
  Al  Al4  1  0.537466  0.073771  0.362959  1
  Al  Al5  1  0.852802  0.703634  0.330414  1
  Al  Al6  1  0.195897  0.390107  0.346789  1
  Al  Al7  1  0.565023  0.129917  0.413471  1
  Al  Al8  1  0.881178  0.761496  0.380346  1
  Al  Al9  1  0.223338  0.446108  0.397040  1
  Al  Al10  1  0.592448  0.185806  0.463669  1
  Al  Al11  1  0.907978  0.816165  0.430469  1
  Al  Al12  1  0.250350  0.501238  0.447121  1
  Al  Al13  1  0.619647  0.241252  0.513783  1
  Al  Al14  1  0.935088  0.871437  0.480556  1
  Al  Al15  1  0.277368  0.556344  0.497169  1
  Al  Al16  1  0.646758  0.296523  0.563870  1
  Al  Al17  1  0.962287  0.926883  0.530670  1
  Al  Al18  1  0.304386  0.611451  0.547218  1
  Al  Al19  1  0.673558  0.351192  0.613993  1
  Al  Al20  1  0.989712  0.982772  0.580868  1
  Al  Al21  1  0.331397  0.666580  0.597299  1
  Al  Al22  1  0.701933  0.409055  0.663925  1
  Al  Al23  1  0.017270  0.038917  0.631380  1
  Al  Al24  1  0.358839  0.722581  0.647550  1
  Al  Al25  1  0.736296  0.479977  0.713760  1
  Al  Al26  1  0.042719  0.091471  0.682767  1
  Al  Al27  1  0.378117  0.761681  0.699736  1
  Fe  Fe28  1  0.389811  0.776204  0.294082  1
  Fe  Fe29  1  0.730358  0.458694  0.313599  1
  Fe  Fe30  1  0.049282  0.095185  0.278156  1
  Fe  Fe31  1  0.947635  0.892255  0.301221  1
  Fe  Fe32  1  0.291027  0.579858  0.317097  1
  Fe  Fe33  1  0.612806  0.222817  0.285146  1
  Fe  Fe34  1  0.417320  0.832896  0.343504  1
  Fe  Fe35  1  0.759281  0.517150  0.361497  1
  Fe  Fe36  1  0.076575  0.150803  0.326405  1
  Fe  Fe37  1  0.976062  0.950720  0.350107  1
  Fe  Fe38  1  0.318368  0.635626  0.366932  1
  Fe  Fe39  1  0.632615  0.263328  0.334652  1
  Fe  Fe40  1  0.443869  0.887106  0.393748  1
  Fe  Fe41  1  0.786458  0.572594  0.410861  1
  Fe  Fe42  1  0.100957  0.200934  0.377038  1
  Fe  Fe43  1  0.002383  0.004431  0.400157  1
  Fe  Fe44  1  0.345200  0.690373  0.416979  1
  Fe  Fe45  1  0.660022  0.319312  0.383967  1
  Fe  Fe46  1  0.470847  0.942123  0.443903  1
  Fe  Fe47  1  0.813330  0.627422  0.460723  1
  Fe  Fe48  1  0.128269  0.256613  0.427169  1
  Fe  Fe49  1  0.029555  0.059811  0.450250  1
  Fe  Fe50  1  0.372163  0.745364  0.467039  1
  Fe  Fe51  1  0.687298  0.374929  0.433704  1
  Fe  Fe52  1  0.498003  0.997480  0.493997  1
  Fe  Fe53  1  0.840365  0.682555  0.510690  1
  Fe  Fe54  1  0.155468  0.312061  0.477240  1
  Fe  Fe55  1  0.056732  0.115208  0.500342  1
  Fe  Fe56  1  0.399267  0.800628  0.517099  1
  Fe  Fe57  1  0.714371  0.430134  0.483649  1
  Fe  Fe58  1  0.525181  0.052878  0.544089  1
  Fe  Fe59  1  0.867438  0.737759  0.560635  1
  Fe  Fe60  1  0.182573  0.367325  0.527300  1
  Fe  Fe61  1  0.083888  0.170566  0.550436  1
  Fe  Fe62  1  0.426467  0.856075  0.567170  1
  Fe  Fe63  1  0.741405  0.485266  0.533615  1
  Fe  Fe64  1  0.552352  0.108258  0.594182  1
  Fe  Fe65  1  0.894713  0.793377  0.610372  1
  Fe  Fe66  1  0.209536  0.422316  0.577360  1
  Fe  Fe67  1  0.110867  0.225583  0.600591  1
  Fe  Fe68  1  0.453779  0.911755  0.617301  1
  Fe  Fe69  1  0.768277  0.540095  0.583478  1
  Fe  Fe70  1  0.578674  0.161969  0.644232  1
  Fe  Fe71  1  0.922121  0.849360  0.659687  1
  Fe  Fe72  1  0.236367  0.477062  0.627407  1
  Fe  Fe73  1  0.137416  0.279793  0.650835  1
  Fe  Fe74  1  0.478160  0.961886  0.667934  1
  Fe  Fe75  1  0.795455  0.595539  0.632842  1
  Fe  Fe76  1  0.607101  0.220434  0.693118  1
  Fe  Fe77  1  0.941929  0.889872  0.709193  1
  Fe  Fe78  1  0.263708  0.532830  0.677242  1
  Fe  Fe79  1  0.164924  0.336484  0.700256  1
  Fe  Fe80  1  0.505454  0.017504  0.716182  1
  Fe  Fe81  1  0.824378  0.653995  0.680740  1
