# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89244500
_cell_length_b   4.52863924
_cell_length_c   54.41932691
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.34464635
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al16 Fe16'
_cell_volume   880.747225664
_cell_formula_units_Z   16
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  0.168411  0.446277  0.206829  1
  Al  Al2  1  0.552689  0.216637  0.233958  1
  Al  Al3  1  0.971555  1.047505  0.263536  1
  Al  Al4  1  0.378237  0.856065  0.292572  1
  Al  Al5  1  0.779103  0.655495  0.321502  1
  Al  Al6  1  0.180442  0.456062  0.350394  1
  Al  Al7  1  0.588150  0.266055  0.378575  1
  Al  Al8  1  1.014022  1.109262  0.407217  1
  Al  Al9  1  0.891039  0.853241  0.457952  1
  Al  Al10  1  0.317032  0.696734  0.486694  1
  Al  Al11  1  0.722645  0.502964  0.514658  1
  Al  Al12  1  1.123670  0.302836  0.543622  1
  Al  Al13  1  0.527210  1.107547  0.573353  1
  Al  Al14  1  0.925634  0.901660  0.601409  1
  Al  Al15  1  0.332857  0.710094  0.631015  1
  Al  Al16  1  1.029582  1.119276  0.646512  1
  Fe  Fe17  1  0.853847  0.820619  0.221451  1
  Fe  Fe18  1  0.264575  0.634958  0.249941  1
  Fe  Fe19  1  0.674833  0.452048  0.277208  1
  Fe  Fe20  1  1.078786  0.256871  0.306660  1
  Fe  Fe21  1  0.478714  1.054190  0.335968  1
  Fe  Fe22  1  0.882100  0.856529  0.365845  1
  Fe  Fe23  1  0.299236  0.685025  0.393350  1
  Fe  Fe24  1  0.727897  0.535674  0.419107  1
  Fe  Fe25  1  0.452447  0.981076  0.432549  1
  Fe  Fe26  1  0.177147  0.427103  0.446065  1
  Fe  Fe27  1  0.605454  0.277144  0.471702  1
  Fe  Fe28  1  1.022067  1.104461  0.499335  1
  Fe  Fe29  1  0.425332  0.905315  0.529596  1
  Fe  Fe30  1  0.824374  0.704142  0.558167  1
  Fe  Fe31  1  0.226192  0.503698  0.587660  1
  Fe  Fe32  1  0.629077  0.310738  0.617162  1
