# generated using pymatgen
data_Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31045506
_cell_length_b   6.80606164
_cell_length_c   47.58280971
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.89636139
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Fe
_chemical_formula_sum   'Al42 Fe14'
_cell_volume   1584.29625891
_cell_formula_units_Z   14
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  0.783185  0.068727  0.270066  1
  Al  Al2  1  0.291650  0.068684  0.270050  1
  Al  Al3  1  0.896275  0.786148  0.300615  1
  Al  Al4  1  0.310978  0.122296  0.324564  1
  Al  Al5  1  0.816656  0.122169  0.324592  1
  Al  Al6  1  0.211472  0.417531  0.289390  1
  Al  Al7  1  0.019000  0.537682  0.335893  1
  Al  Al8  1  0.525035  0.537776  0.335887  1
  Al  Al9  1  0.134608  0.263081  0.369457  1
  Al  Al10  1  0.550687  0.587664  0.391446  1
  Al  Al11  1  0.042320  0.587648  0.391459  1
  Al  Al12  1  0.434849  0.864246  0.357978  1
  Al  Al13  1  0.249273  1.001696  0.402409  1
  Al  Al14  1  0.758680  1.001703  0.402384  1
  Al  Al15  1  0.366860  0.727683  0.436220  1
  Al  Al16  1  0.782812  0.051980  0.458233  1
  Al  Al17  1  0.274491  0.051976  0.458253  1
  Al  Al18  1  0.665706  0.325860  0.424343  1
  Al  Al19  1  0.481849  0.465733  0.469180  1
  Al  Al20  1  0.990129  0.465738  0.469164  1
  Al  Al21  1  0.598821  0.191606  0.503044  1
  Al  Al22  1  0.014799  0.516028  0.525029  1
  Al  Al23  1  0.506520  0.516022  0.525046  1
  Al  Al24  1  0.897828  0.790154  0.491165  1
  Al  Al25  1  0.713836  0.929780  0.535977  1
  Al  Al26  1  0.222157  0.929785  0.535956  1
  Al  Al27  1  0.830943  0.655900  0.569867  1
  Al  Al28  1  0.247375  0.980065  0.591801  1
  Al  Al29  1  0.737968  0.980058  0.591825  1
  Al  Al30  1  0.129789  0.254078  0.557990  1
  Al  Al31  1  0.945962  0.394097  0.602763  1
  Al  Al32  1  0.454329  0.394113  0.602750  1
  Al  Al33  1  0.061800  0.117515  0.636232  1
  Al  Al34  1  0.477649  0.444079  0.658317  1
  Al  Al35  1  0.971613  0.443985  0.658323  1
  Al  Al36  1  0.362040  0.718680  0.624753  1
  Al  Al37  1  0.185670  0.859464  0.669646  1
  Al  Al38  1  0.679992  0.859592  0.669618  1
  Al  Al39  1  0.285177  0.564230  0.704820  1
  Al  Al40  1  0.713463  0.913033  0.724143  1
  Al  Al41  1  0.204998  0.913076  0.724160  1
  Al  Al42  1  0.600373  0.195613  0.693594  1
  Fe  Fe43  1  0.693140  0.380656  0.293869  1
  Fe  Fe44  1  0.407724  0.809306  0.304461  1
  Fe  Fe45  1  0.930872  0.855941  0.357710  1
  Fe  Fe46  1  0.636852  0.267802  0.368928  1
  Fe  Fe47  1  0.163630  0.321526  0.424746  1
  Fe  Fe48  1  0.868955  0.732059  0.435879  1
  Fe  Fe49  1  0.395603  0.785492  0.491529  1
  Fe  Fe50  1  0.101046  0.196268  0.502681  1
  Fe  Fe51  1  0.627694  0.249701  0.558330  1
  Fe  Fe52  1  0.333018  0.660234  0.569463  1
  Fe  Fe53  1  0.859797  0.713959  0.625282  1
  Fe  Fe54  1  0.565777  0.125819  0.636500  1
  Fe  Fe55  1  0.088925  0.172455  0.689749  1
  Fe  Fe56  1  0.803509  0.601105  0.700340  1
