# generated using pymatgen
data_Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35475265
_cell_length_b   10.06718678
_cell_length_c   48.67651127
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.26565820
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Fe
_chemical_formula_sum   'Al60 Fe20'
_cell_volume   2531.43160563
_cell_formula_units_Z   20
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  0.053222  0.129126  0.372603  1
  Al  Al2  1  0.864687  0.740882  0.328110  1
  Al  Al3  1  0.572938  0.128849  0.372528  1
  Al  Al4  1  0.372778  0.741597  0.327957  1
  Al  Al5  1  0.851263  0.202243  0.325324  1
  Al  Al6  1  0.054559  0.611447  0.367774  1
  Al  Al7  1  0.212272  0.428318  0.338330  1
  Al  Al8  1  0.994833  0.996301  0.299572  1
  Al  Al9  1  0.713556  0.428172  0.338344  1
  Al  Al10  1  0.497570  0.999635  0.299781  1
  Al  Al11  1  0.025692  0.554420  0.298762  1
  Al  Al12  1  0.225265  0.955814  0.344153  1
  Al  Al13  1  0.446780  0.910666  0.456859  1
  Al  Al14  1  0.254605  0.523203  0.412928  1
  Al  Al15  1  0.961444  0.910484  0.456824  1
  Al  Al16  1  0.766176  0.523130  0.412900  1
  Al  Al17  1  0.254777  0.011965  0.414037  1
  Al  Al18  1  0.452792  0.407880  0.455977  1
  Al  Al19  1  0.625627  0.243522  0.422776  1
  Al  Al20  1  0.421484  0.834416  0.382398  1
  Al  Al21  1  0.115157  0.243684  0.422818  1
  Al  Al22  1  0.909702  0.834560  0.382466  1
  Al  Al23  1  0.425485  0.353818  0.381117  1
  Al  Al24  1  0.621756  0.746842  0.424576  1
  Al  Al25  1  0.837771  0.691116  0.539776  1
  Al  Al26  1  0.642536  0.299254  0.498005  1
  Al  Al27  1  0.351171  0.690966  0.539747  1
  Al  Al28  1  0.154583  0.299110  0.497978  1
  Al  Al29  1  0.647611  0.797559  0.498549  1
  Al  Al30  1  0.842499  0.187323  0.540661  1
  Al  Al31  1  0.017862  0.026699  0.506860  1
  Al  Al32  1  0.822627  0.634837  0.465089  1
  Al  Al33  1  0.505815  0.026842  0.506887  1
  Al  Al34  1  0.309227  0.634986  0.465118  1
  Al  Al35  1  0.817899  0.138630  0.464204  1
  Al  Al36  1  0.012787  0.528394  0.506316  1
  Al  Al37  1  0.238914  0.491536  0.622468  1
  Al  Al38  1  0.034772  0.082431  0.582089  1
  Al  Al39  1  0.750696  0.491393  0.622399  1
  Al  Al40  1  0.545242  0.082269  0.582047  1
  Al  Al41  1  0.038642  0.579111  0.580289  1
  Al  Al42  1  0.234913  0.972135  0.623748  1
  Al  Al43  1  0.405793  0.802750  0.591938  1
  Al  Al44  1  0.213618  0.415287  0.548006  1
  Al  Al45  1  0.894222  0.802823  0.591965  1
  Al  Al46  1  0.698954  0.415469  0.548041  1
  Al  Al47  1  0.207606  0.918073  0.548888  1
  Al  Al48  1  0.405621  0.313988  0.590828  1
  Al  Al49  1  0.665565  0.329652  0.705293  1
  Al  Al50  1  0.448126  0.897634  0.666535  1
  Al  Al51  1  0.162828  0.326317  0.705084  1
  Al  Al52  1  0.946842  0.897781  0.666521  1
  Al  Al53  1  0.435133  0.370138  0.660712  1
  Al  Al54  1  0.634706  0.771532  0.706104  1
  Al  Al55  1  0.795711  0.585070  0.676755  1
  Al  Al56  1  0.607176  0.196826  0.632262  1
  Al  Al57  1  0.287620  0.584356  0.676909  1
  Al  Al58  1  0.087460  0.197104  0.632338  1
  Al  Al59  1  0.605839  0.714506  0.637091  1
  Al  Al60  1  0.809135  0.123710  0.679541  1
  Fe  Fe61  1  0.528880  0.560716  0.304191  1
  Fe  Fe62  1  0.725058  0.953868  0.344056  1
  Fe  Fe63  1  0.350564  0.202776  0.330143  1
  Fe  Fe64  1  0.554103  0.611202  0.367278  1
  Fe  Fe65  1  0.925235  0.353237  0.381298  1
  Fe  Fe66  1  0.121580  0.745972  0.423645  1
  Fe  Fe67  1  0.754574  0.011884  0.414743  1
  Fe  Fe68  1  0.952249  0.407044  0.456347  1
  Fe  Fe69  1  0.318097  0.138835  0.464038  1
  Fe  Fe70  1  0.512771  0.528133  0.505819  1
  Fe  Fe71  1  0.147627  0.797820  0.499046  1
  Fe  Fe72  1  0.342302  0.187118  0.540827  1
  Fe  Fe73  1  0.708149  0.918909  0.548518  1
  Fe  Fe74  1  0.905824  0.314069  0.590122  1
  Fe  Fe75  1  0.538818  0.579980  0.581220  1
  Fe  Fe76  1  0.735163  0.972715  0.623567  1
  Fe  Fe77  1  0.106296  0.714751  0.637588  1
  Fe  Fe78  1  0.309834  0.123176  0.674722  1
  Fe  Fe79  1  0.935340  0.372085  0.660809  1
  Fe  Fe80  1  0.131518  0.765236  0.700675  1
