# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49714318
_cell_length_b   6.93575380
_cell_length_c   47.07626659
_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   'Al11 Fe22'
_cell_volume   815.34070818
_cell_formula_units_Z   11
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  0.567623  0.495357  0.297520  1
  Al  Al2  1  0.473396  0.993880  0.338391  1
  Al  Al3  1  0.524831  0.493010  0.379609  1
  Al  Al4  1  0.427364  0.992852  0.421709  1
  Al  Al5  1  0.534251  0.492926  0.463284  1
  Al  Al6  1  0.428684  0.993184  0.504795  1
  Al  Al7  1  0.534251  0.492926  0.546306  1
  Al  Al8  1  0.427364  0.992852  0.587880  1
  Al  Al9  1  0.524831  0.493010  0.629981  1
  Al  Al10  1  0.473396  0.993880  0.671199  1
  Al  Al11  1  0.567623  0.495357  0.712069  1
  Fe  Fe12  1  0.899658  0.156176  0.296245  1
  Fe  Fe13  1  0.179459  0.824475  0.294618  1
  Fe  Fe14  1  0.984610  0.665808  0.338338  1
  Fe  Fe15  1  0.155453  0.328878  0.338023  1
  Fe  Fe16  1  0.941421  0.162137  0.379977  1
  Fe  Fe17  1  0.801373  0.829756  0.380379  1
  Fe  Fe18  1  0.029230  0.660605  0.421622  1
  Fe  Fe19  1  0.163307  0.330159  0.421566  1
  Fe  Fe20  1  0.930407  0.161796  0.463184  1
  Fe  Fe21  1  0.805106  0.829744  0.463210  1
  Fe  Fe22  1  0.033073  0.661858  0.504795  1
  Fe  Fe23  1  0.155607  0.329702  0.504795  1
  Fe  Fe24  1  0.930407  0.161796  0.546405  1
  Fe  Fe25  1  0.805106  0.829744  0.546379  1
  Fe  Fe26  1  0.029230  0.660605  0.587968  1
  Fe  Fe27  1  0.163307  0.330159  0.588024  1
  Fe  Fe28  1  0.941421  0.162137  0.629612  1
  Fe  Fe29  1  0.801373  0.829756  0.629210  1
  Fe  Fe30  1  0.984610  0.665808  0.671251  1
  Fe  Fe31  1  0.155453  0.328878  0.671566  1
  Fe  Fe32  1  0.899658  0.156176  0.713344  1
  Fe  Fe33  1  0.179459  0.824475  0.714972  1
