# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66399886
_cell_length_b   4.40179048
_cell_length_c   60.63495098
_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   'Al12 Fe12'
_cell_volume   711.02755723
_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  0.498819  0.922886  0.199048  1
  Al  Al2  1  -0.001181  0.766185  0.235463  1
  Al  Al3  1  0.498819  0.580792  0.271396  1
  Al  Al4  1  -0.001181  0.396717  0.307225  1
  Al  Al5  1  0.498819  1.212743  0.343023  1
  Al  Al6  1  -0.001181  1.028822  0.378820  1
  Al  Al7  1  0.498819  0.844899  0.414616  1
  Al  Al8  1  -0.001181  0.660978  0.450412  1
  Al  Al9  1  0.498819  0.477004  0.486210  1
  Al  Al10  1  -0.001181  0.292929  0.522039  1
  Al  Al11  1  0.498819  1.107536  0.557973  1
  Al  Al12  1  -0.001181  0.950835  0.594387  1
  Fe  Fe13  1  0.498819  1.261199  0.235948  1
  Fe  Fe14  1  -0.001181  0.418166  0.202388  1
  Fe  Fe15  1  0.498819  0.896631  0.307230  1
  Fe  Fe16  1  -0.001181  1.080154  0.271476  1
  Fe  Fe17  1  0.498819  0.528822  0.378820  1
  Fe  Fe18  1  -0.001181  0.712741  0.343024  1
  Fe  Fe19  1  0.498819  1.160980  0.450412  1
  Fe  Fe20  1  -0.001181  0.344899  0.414616  1
  Fe  Fe21  1  0.498819  0.793567  0.521960  1
  Fe  Fe22  1  -0.001181  0.977090  0.486206  1
  Fe  Fe23  1  0.498819  0.455555  0.591047  1
  Fe  Fe24  1  -0.001181  0.612522  0.557488  1
