# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17894669
_cell_length_b   9.41296585
_cell_length_c   51.37265900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al33 Fe33'
_cell_volume   2020.8094245
_cell_formula_units_Z   33
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  0.552454  0.147182  0.277481  1
  Al  Al2  1  0.552593  0.875684  0.265161  1
  Al  Al3  1  0.552473  0.605613  0.253502  1
  Al  Al4  1  0.552585  0.953690  0.315450  1
  Al  Al5  1  0.552525  0.686204  0.303215  1
  Al  Al6  1  0.552456  0.414854  0.290171  1
  Al  Al7  1  0.552562  0.751621  0.354374  1
  Al  Al8  1  0.552416  0.487009  0.340902  1
  Al  Al9  1  0.552391  0.220492  0.328186  1
  Al  Al10  1  0.552325  0.542172  0.394441  1
  Al  Al11  1  0.552312  0.278123  0.381051  1
  Al  Al12  1  0.552757  0.015553  0.367576  1
  Al  Al13  1  0.552347  0.339947  0.433351  1
  Al  Al14  1  0.552803  0.072105  0.420870  1
  Al  Al15  1  0.552577  0.806683  0.407901  1
  Al  Al16  1  0.553126  0.147390  0.471763  1
  Al  Al17  1  0.552795  0.876089  0.459489  1
  Al  Al18  1  0.552098  0.607684  0.446447  1
  Al  Al19  1  0.564066  0.958909  0.510535  1
  Al  Al20  1  0.550212  0.687027  0.498324  1
  Al  Al21  1  0.551170  0.417444  0.484626  1
  Al  Al22  1  0.706131  0.771427  0.551441  1
  Al  Al23  1  0.650647  0.500553  0.537322  1
  Al  Al24  1  0.597012  0.229660  0.523267  1
  Al  Al25  1  0.756141  0.585600  0.589870  1
  Al  Al26  1  0.755748  0.313158  0.576058  1
  Al  Al27  1  0.741424  0.040201  0.564472  1
  Al  Al28  1  0.754332  0.395202  0.626619  1
  Al  Al29  1  0.753667  0.124279  0.615141  1
  Al  Al30  1  0.753448  0.851995  0.603865  1
  Al  Al31  1  0.754014  0.207795  0.665045  1
  Al  Al32  1  0.753803  0.934574  0.654032  1
  Al  Al33  1  0.754365  0.659339  0.642597  1
  Fe  Fe34  1  1.052466  0.113245  0.306684  1
  Fe  Fe35  1  1.052571  0.842447  0.294447  1
  Fe  Fe36  1  1.052487  0.574688  0.283498  1
  Fe  Fe37  1  1.052668  0.935878  0.342984  1
  Fe  Fe38  1  1.052523  0.660780  0.330799  1
  Fe  Fe39  1  1.052423  0.385382  0.318741  1
  Fe  Fe40  1  1.052573  0.789989  0.380866  1
  Fe  Fe41  1  1.052367  0.503341  0.367853  1
  Fe  Fe42  1  1.052342  0.215909  0.355399  1
  Fe  Fe43  1  1.052274  0.632914  0.417991  1
  Fe  Fe44  1  1.052319  0.357115  0.405523  1
  Fe  Fe45  1  1.052800  0.075078  0.393433  1
  Fe  Fe46  1  1.051895  0.450667  0.453676  1
  Fe  Fe47  1  1.052788  0.181052  0.441915  1
  Fe  Fe48  1  1.052733  0.907157  0.430236  1
  Fe  Fe49  1  1.055061  0.268087  0.488621  1
  Fe  Fe50  1  1.053855  0.996600  0.476940  1
  Fe  Fe51  1  1.051823  0.721922  0.465517  1
  Fe  Fe52  1  1.074537  0.088002  0.521948  1
  Fe  Fe53  1  1.053160  0.815397  0.510378  1
  Fe  Fe54  1  1.051728  0.539116  0.499563  1
  Fe  Fe55  1  0.228578  0.912868  0.552450  1
  Fe  Fe56  1  0.181489  0.639069  0.542174  1
  Fe  Fe57  1  0.121008  0.361218  0.533223  1
  Fe  Fe58  1  0.251870  0.735244  0.586304  1
  Fe  Fe59  1  0.255812  0.461020  0.575825  1
  Fe  Fe60  1  0.252591  0.182450  0.564139  1
  Fe  Fe61  1  0.254853  0.552245  0.620976  1
  Fe  Fe62  1  0.254496  0.274078  0.608605  1
  Fe  Fe63  1  0.252510  1.001373  0.597831  1
  Fe  Fe64  1  0.254176  0.355831  0.654290  1
  Fe  Fe65  1  0.253797  0.087898  0.644010  1
  Fe  Fe66  1  0.253837  0.817185  0.633157  1
