# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97271011
_cell_length_b   7.24366757
_cell_length_c   47.07584346
_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   'Al18 Fe36'
_cell_volume   1354.70114185
_cell_formula_units_Z   18
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  0.498481  0.126943  0.276728  1
  Al  Al2  1  -0.001519  0.726304  0.298039  1
  Al  Al3  1  0.498481  0.268980  0.325947  1
  Al  Al4  1  -0.001519  0.826391  0.350615  1
  Al  Al5  1  0.498481  0.384059  0.376383  1
  Al  Al6  1  -0.001519  0.945265  0.400926  1
  Al  Al7  1  0.498481  0.502311  0.426396  1
  Al  Al8  1  -0.001519  0.061301  0.451184  1
  Al  Al9  1  0.498481  0.619561  0.476443  1
  Al  Al10  1  -0.001519  0.178095  0.501292  1
  Al  Al11  1  0.498481  0.736536  0.526555  1
  Al  Al12  1  -0.001519  0.294979  0.551339  1
  Al  Al13  1  0.498481  0.853642  0.576777  1
  Al  Al14  1  -0.001519  0.411602  0.601377  1
  Al  Al15  1  0.498481  0.970842  0.627308  1
  Al  Al16  1  -0.001519  0.530875  0.651253  1
  Al  Al17  1  0.498481  0.087130  0.678512  1
  Al  Al18  1  -0.001519  0.640614  0.702203  1
  Fe  Fe19  1  0.498481  0.898538  0.314721  1
  Fe  Fe20  1  -0.001519  0.346835  0.287143  1
  Fe  Fe21  1  -0.001519  0.078049  0.315356  1
  Fe  Fe22  1  0.498481  0.527851  0.291592  1
  Fe  Fe23  1  0.498481  0.020752  0.362492  1
  Fe  Fe24  1  -0.001519  0.466370  0.335805  1
  Fe  Fe25  1  -0.001519  0.196282  0.365117  1
  Fe  Fe26  1  0.498481  0.633188  0.341532  1
  Fe  Fe27  1  0.498481  0.136216  0.412181  1
  Fe  Fe28  1  -0.001519  0.577699  0.386737  1
  Fe  Fe29  1  -0.001519  0.311117  0.415472  1
  Fe  Fe30  1  0.498481  0.752491  0.390883  1
  Fe  Fe31  1  0.498481  0.252960  0.462112  1
  Fe  Fe32  1  -0.001519  0.695001  0.436885  1
  Fe  Fe33  1  -0.001519  0.427982  0.465587  1
  Fe  Fe34  1  0.498481  0.869245  0.440723  1
  Fe  Fe35  1  0.498481  0.369787  0.512127  1
  Fe  Fe36  1  -0.001519  0.811630  0.487011  1
  Fe  Fe37  1  -0.001519  0.544811  0.515666  1
  Fe  Fe38  1  0.498481  0.986011  0.490724  1
  Fe  Fe39  1  0.498481  0.486411  0.562174  1
  Fe  Fe40  1  -0.001519  0.928430  0.537068  1
  Fe  Fe41  1  -0.001519  0.661677  0.565714  1
  Fe  Fe42  1  0.498481  0.102711  0.540767  1
  Fe  Fe43  1  0.498481  0.602740  0.612154  1
  Fe  Fe44  1  -0.001519  0.045317  0.587030  1
  Fe  Fe45  1  -0.001519  0.779291  0.615653  1
  Fe  Fe46  1  0.498481  0.218937  0.590839  1
  Fe  Fe47  1  0.498481  0.718423  0.661841  1
  Fe  Fe48  1  -0.001519  0.160808  0.636820  1
  Fe  Fe49  1  -0.001519  0.893139  0.665868  1
  Fe  Fe50  1  0.498481  0.334429  0.640856  1
  Fe  Fe51  1  0.498481  0.822357  0.711446  1
  Fe  Fe52  1  -0.001519  0.279643  0.685587  1
  Fe  Fe53  1  -0.001519  0.009134  0.714600  1
  Fe  Fe54  1  0.498481  0.449742  0.690275  1
