# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29001218
_cell_length_b   7.60552091
_cell_length_c   53.30694194
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Fe
_chemical_formula_sum   'Al72 Fe12'
_cell_volume   2550.14115482
_cell_formula_units_Z   12
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  0.486998  0.822144  0.262817  1
  Al  Al2  1  0.861782  0.000642  0.326901  1
  Al  Al3  1  0.506010  0.819582  0.344165  1
  Al  Al4  1  0.151722  0.000642  0.360569  1
  Al  Al5  1  0.312467  0.688615  0.385855  1
  Al  Al6  1  0.506010  0.181701  0.344165  1
  Al  Al7  1  0.862951  0.000642  0.276770  1
  Al  Al8  1  0.198350  0.810956  0.302736  1
  Al  Al9  1  0.198350  0.190328  0.302736  1
  Al  Al10  1  0.812467  0.812669  0.385855  1
  Al  Al11  1  0.151725  0.000642  0.411049  1
  Al  Al12  1  0.486998  0.179139  0.262817  1
  Al  Al13  1  0.986998  0.322144  0.262817  1
  Al  Al14  1  0.361782  0.500642  0.326901  1
  Al  Al15  1  0.006010  0.319582  0.344165  1
  Al  Al16  1  0.651722  0.500642  0.360569  1
  Al  Al17  1  0.812467  0.188615  0.385855  1
  Al  Al18  1  0.006010  0.681701  0.344165  1
  Al  Al19  1  0.362951  0.500642  0.276770  1
  Al  Al20  1  0.698350  0.310956  0.302736  1
  Al  Al21  1  0.698350  0.690328  0.302736  1
  Al  Al22  1  0.312467  0.312669  0.385855  1
  Al  Al23  1  0.651725  0.500642  0.411049  1
  Al  Al24  1  0.986998  0.679139  0.262817  1
  Al  Al25  1  0.505266  0.820126  0.427657  1
  Al  Al26  1  0.858760  0.000642  0.494716  1
  Al  Al27  1  0.505270  0.820120  0.511319  1
  Al  Al28  1  0.151766  0.000642  0.527921  1
  Al  Al29  1  0.312555  0.688682  0.553151  1
  Al  Al30  1  0.505270  0.181163  0.511319  1
  Al  Al31  1  0.858769  0.000642  0.444261  1
  Al  Al32  1  0.197995  0.812595  0.469487  1
  Al  Al33  1  0.197995  0.188688  0.469487  1
  Al  Al34  1  0.812555  0.812601  0.553151  1
  Al  Al35  1  0.151655  0.000642  0.578367  1
  Al  Al36  1  0.505266  0.181157  0.427657  1
  Al  Al37  1  0.005266  0.320126  0.427657  1
  Al  Al38  1  0.358760  0.500642  0.494716  1
  Al  Al39  1  0.005270  0.320120  0.511319  1
  Al  Al40  1  0.651766  0.500642  0.527921  1
  Al  Al41  1  0.812555  0.188682  0.553151  1
  Al  Al42  1  0.005270  0.681163  0.511319  1
  Al  Al43  1  0.358769  0.500642  0.444261  1
  Al  Al44  1  0.697995  0.312595  0.469487  1
  Al  Al45  1  0.697995  0.688688  0.469487  1
  Al  Al46  1  0.312555  0.312601  0.553151  1
  Al  Al47  1  0.651655  0.500642  0.578367  1
  Al  Al48  1  0.005266  0.681157  0.427657  1
  Al  Al49  1  0.505570  0.820177  0.594959  1
  Al  Al50  1  0.855645  0.000642  0.662478  1
  Al  Al51  1  0.506545  0.819666  0.678398  1
  Al  Al52  1  0.153115  0.000642  0.694295  1
  Al  Al53  1  0.313430  0.692553  0.718817  1
  Al  Al54  1  0.506545  0.181618  0.678398  1
  Al  Al55  1  0.859286  0.000642  0.611723  1
  Al  Al56  1  0.197724  0.812790  0.636836  1
  Al  Al57  1  0.197724  0.188493  0.636836  1
  Al  Al58  1  0.813430  0.808730  0.718817  1
  Al  Al59  1  0.133617  0.000642  0.742977  1
  Al  Al60  1  0.505570  0.181106  0.594959  1
  Al  Al61  1  0.005570  0.320177  0.594959  1
  Al  Al62  1  0.355645  0.500642  0.662478  1
  Al  Al63  1  0.006545  0.319666  0.678398  1
  Al  Al64  1  0.653115  0.500642  0.694295  1
  Al  Al65  1  0.813430  0.192553  0.718817  1
  Al  Al66  1  0.006545  0.681618  0.678398  1
  Al  Al67  1  0.359286  0.500642  0.611723  1
  Al  Al68  1  0.697724  0.312790  0.636836  1
  Al  Al69  1  0.697724  0.688493  0.636836  1
  Al  Al70  1  0.313430  0.308730  0.718817  1
  Al  Al71  1  0.633617  0.500642  0.742977  1
  Al  Al72  1  0.005570  0.681106  0.594959  1
  Fe  Fe73  1  0.524427  0.000642  0.303331  1
  Fe  Fe74  1  0.486596  0.000642  0.385849  1
  Fe  Fe75  1  0.024427  0.500642  0.303331  1
  Fe  Fe76  1  0.986596  0.500642  0.385849  1
  Fe  Fe77  1  0.523780  0.000642  0.469487  1
  Fe  Fe78  1  0.486741  0.000642  0.553137  1
  Fe  Fe79  1  0.023780  0.500642  0.469487  1
  Fe  Fe80  1  0.986741  0.500642  0.553137  1
  Fe  Fe81  1  0.523570  0.000642  0.636780  1
  Fe  Fe82  1  0.487361  0.000642  0.719306  1
  Fe  Fe83  1  0.023570  0.500642  0.636780  1
  Fe  Fe84  1  0.987361  0.500642  0.719306  1
