# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07805412
_cell_length_b   6.74441704
_cell_length_c   52.51911104
_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   'Al24 Fe24'
_cell_volume   1444.49076059
_cell_formula_units_Z   24
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  0.633230  0.121048  0.258856  1
  Al  Al2  1  0.633230  0.778580  0.280468  1
  Al  Al3  1  0.633230  0.506495  0.244647  1
  Al  Al4  1  0.633230  0.058563  0.314349  1
  Al  Al5  1  0.633230  0.673463  0.328861  1
  Al  Al6  1  0.633230  0.401067  0.294327  1
  Al  Al7  1  0.633230  0.937012  0.362497  1
  Al  Al8  1  0.633230  0.617453  0.387512  1
  Al  Al9  1  0.633230  0.337984  0.349666  1
  Al  Al10  1  0.633230  0.905302  0.426018  1
  Al  Al11  1  0.633230  0.423542  0.430474  1
  Al  Al12  1  0.633230  0.194826  0.395406  1
  Al  Al13  1  0.633230  0.184902  0.468451  1
  Al  Al14  1  0.633230  0.895379  0.499062  1
  Al  Al15  1  0.633230  0.666663  0.463995  1
  Al  Al16  1  0.633230  0.153193  0.531971  1
  Al  Al17  1  0.633230  0.752221  0.544802  1
  Al  Al18  1  0.633230  0.472752  0.506957  1
  Al  Al19  1  0.633230  0.031642  0.580120  1
  Al  Al20  1  0.633230  0.689138  0.600142  1
  Al  Al21  1  0.633230  0.416741  0.565607  1
  Al  Al22  1  0.633230  0.969157  0.635612  1
  Al  Al23  1  0.633230  0.583709  0.649822  1
  Al  Al24  1  0.633230  0.311625  0.614001  1
  Fe  Fe25  1  1.133230  0.355262  0.267358  1
  Fe  Fe26  1  1.133230  1.013899  0.286335  1
  Fe  Fe27  1  1.133230  0.734969  0.253701  1
  Fe  Fe28  1  1.133230  0.292739  0.320576  1
  Fe  Fe29  1  1.133230  0.902745  0.334192  1
  Fe  Fe30  1  1.133230  0.628702  0.301040  1
  Fe  Fe31  1  1.133230  0.170912  0.367254  1
  Fe  Fe32  1  1.133230  0.859340  0.391656  1
  Fe  Fe33  1  1.133230  0.577239  0.356361  1
  Fe  Fe34  1  1.133230  0.133310  0.426238  1
  Fe  Fe35  1  0.133230  0.693538  0.434206  1
  Fe  Fe36  1  1.133230  0.433147  0.400979  1
  Fe  Fe37  1  0.133230  0.956895  0.468230  1
  Fe  Fe38  1  0.133230  0.657058  0.493490  1
  Fe  Fe39  1  0.133230  0.396667  0.460262  1
  Fe  Fe40  1  0.133230  0.919293  0.527215  1
  Fe  Fe41  1  0.133230  0.512965  0.538107  1
  Fe  Fe42  1  0.133230  0.230864  0.502813  1
  Fe  Fe43  1  0.133230  0.797466  0.573892  1
  Fe  Fe44  1  0.133230  0.461502  0.593429  1
  Fe  Fe45  1  0.133230  0.187460  0.560276  1
  Fe  Fe46  1  0.133230  0.734943  0.627111  1
  Fe  Fe47  1  0.133230  0.355236  0.640768  1
  Fe  Fe48  1  0.133230  0.076305  0.608133  1
