# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.50315066
_cell_length_b   17.20132591
_cell_length_c   47.27514841
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al27 Fe54'
_cell_volume   2035.55018745
_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  0.457953  0.187570  0.310579  1
  Al  Al2  1  0.547249  0.982767  0.278625  1
  Al  Al3  1  0.571999  0.585120  0.295266  1
  Al  Al4  1  0.545231  0.004952  0.360193  1
  Al  Al5  1  0.606164  0.793844  0.326624  1
  Al  Al6  1  0.500919  0.398674  0.343747  1
  Al  Al7  1  0.622919  0.819944  0.410495  1
  Al  Al8  1  0.521715  0.608687  0.376706  1
  Al  Al9  1  0.458778  0.214644  0.394131  1
  Al  Al10  1  0.520121  0.635829  0.460034  1
  Al  Al11  1  0.487380  0.424768  0.427573  1
  Al  Al12  1  0.510738  0.031299  0.444051  1
  Al  Al13  1  0.480384  0.452021  0.510737  1
  Al  Al14  1  0.483959  0.242062  0.477413  1
  Al  Al15  1  0.506652  0.848006  0.493830  1
  Al  Al16  1  0.481256  0.267732  0.560690  1
  Al  Al17  1  0.476885  0.057957  0.527475  1
  Al  Al18  1  0.456116  0.663704  0.543053  1
  Al  Al19  1  0.477293  0.083767  0.610863  1
  Al  Al20  1  0.473870  0.873450  0.577167  1
  Al  Al21  1  0.477595  0.478275  0.593760  1
  Al  Al22  1  0.472201  0.899387  0.660604  1
  Al  Al23  1  0.465252  0.689470  0.626871  1
  Al  Al24  1  0.482026  0.294071  0.644108  1
  Al  Al25  1  0.451949  0.712290  0.709351  1
  Al  Al26  1  0.467850  0.506589  0.675680  1
  Al  Al27  1  0.476943  0.109503  0.693175  1
  Fe  Fe28  1  0.019219  0.058259  0.316494  1
  Fe  Fe29  1  0.946325  0.849649  0.281188  1
  Fe  Fe30  1  0.151331  0.452634  0.298415  1
  Fe  Fe31  1  0.195008  0.924140  0.321539  1
  Fe  Fe32  1  0.209064  0.716875  0.287386  1
  Fe  Fe33  1  0.866448  0.319595  0.303989  1
  Fe  Fe34  1  0.963321  0.874143  0.365717  1
  Fe  Fe35  1  0.026226  0.663584  0.333027  1
  Fe  Fe36  1  0.098775  0.268854  0.349207  1
  Fe  Fe37  1  0.232580  0.743730  0.371472  1
  Fe  Fe38  1  0.909971  0.528287  0.338679  1
  Fe  Fe39  1  0.841587  0.138580  0.355278  1
  Fe  Fe40  1  0.016746  0.687405  0.415478  1
  Fe  Fe41  1  0.125690  0.477009  0.382901  1
  Fe  Fe42  1  0.046218  0.082304  0.399402  1
  Fe  Fe43  1  0.873318  0.555193  0.421479  1
  Fe  Fe44  1  0.862693  0.345710  0.388546  1
  Fe  Fe45  1  0.223391  0.949843  0.404800  1
  Fe  Fe46  1  0.111033  0.505195  0.466216  1
  Fe  Fe47  1  0.097683  0.294309  0.433138  1
  Fe  Fe48  1  0.005265  0.900414  0.449654  1
  Fe  Fe49  1  0.867092  0.373495  0.472012  1
  Fe  Fe50  1  0.856939  0.163169  0.438300  1
  Fe  Fe51  1  0.227260  0.768580  0.453905  1
  Fe  Fe52  1  0.101063  0.320451  0.516323  1
  Fe  Fe53  1  0.106674  0.110585  0.482674  1
  Fe  Fe54  1  0.038869  0.716258  0.498506  1
  Fe  Fe55  1  0.863601  0.188920  0.521793  1
  Fe  Fe56  1  0.864312  0.979948  0.488855  1
  Fe  Fe57  1  0.854516  0.583790  0.505037  1
  Fe  Fe58  1  0.097641  0.136452  0.566354  1
  Fe  Fe59  1  0.101199  0.925857  0.532785  1
  Fe  Fe60  1  0.093481  0.531041  0.549348  1
  Fe  Fe61  1  0.858185  0.004898  0.571773  1
  Fe  Fe62  1  0.850892  0.794365  0.538216  1
  Fe  Fe63  1  0.861237  0.399309  0.555121  1
  Fe  Fe64  1  0.094641  0.952178  0.616126  1
  Fe  Fe65  1  0.087237  0.742179  0.582497  1
  Fe  Fe66  1  0.100167  0.346583  0.599553  1
  Fe  Fe67  1  0.850264  0.820822  0.621494  1
  Fe  Fe68  1  0.843357  0.610978  0.587599  1
  Fe  Fe69  1  0.859528  0.215226  0.605171  1
  Fe  Fe70  1  0.081338  0.768467  0.665756  1
  Fe  Fe71  1  0.083494  0.557903  0.631759  1
  Fe  Fe72  1  0.093415  0.163152  0.649580  1
  Fe  Fe73  1  0.849043  0.636390  0.670827  1
  Fe  Fe74  1  0.862486  0.425513  0.638267  1
  Fe  Fe75  1  0.860355  0.030418  0.655055  1
  Fe  Fe76  1  0.052233  0.580296  0.715630  1
  Fe  Fe77  1  0.121297  0.374073  0.683383  1
  Fe  Fe78  1  0.092762  0.977932  0.700104  1
  Fe  Fe79  1  0.708761  0.448441  0.722023  1
  Fe  Fe80  1  0.860381  0.242098  0.689298  1
  Fe  Fe81  1  0.839094  0.845259  0.705666  1
