# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03443209
_cell_length_b   6.34698178
_cell_length_c   47.55980944
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al22 Fe22'
_cell_volume   1155.3432224
_cell_formula_units_Z   22
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  0.043285  0.206601  0.284808  1
  Al  Al2  1  0.272312  0.665918  0.303235  1
  Al  Al3  1  0.490367  0.102358  0.323401  1
  Al  Al4  1  0.711417  0.545124  0.345052  1
  Al  Al5  1  0.934662  0.992075  0.364679  1
  Al  Al6  1  0.155992  0.435096  0.384559  1
  Al  Al7  1  0.377751  0.879016  0.404489  1
  Al  Al8  1  0.599485  0.322914  0.424435  1
  Al  Al9  1  0.821444  0.767256  0.444630  1
  Al  Al10  1  0.043246  0.211282  0.464607  1
  Al  Al11  1  0.265093  0.655387  0.484624  1
  Al  Al12  1  0.486893  0.099403  0.504616  1
  Al  Al13  1  0.708757  0.543551  0.524678  1
  Al  Al14  1  0.930509  0.987473  0.544676  1
  Al  Al15  1  0.152360  0.431589  0.564632  1
  Al  Al16  1  0.374236  0.875750  0.584724  1
  Al  Al17  1  0.595881  0.319474  0.604640  1
  Al  Al18  1  0.818540  0.765234  0.625072  1
  Al  Al19  1  0.039075  0.206696  0.644777  1
  Al  Al20  1  0.260813  0.650575  0.664322  1
  Al  Al21  1  0.485709  0.100650  0.684510  1
  Al  Al22  1  0.701062  0.532526  0.704972  1
  Fe  Fe23  1  0.661859  0.444394  0.295349  1
  Fe  Fe24  1  0.876906  0.875357  0.315771  1
  Fe  Fe25  1  0.102904  0.327728  0.334579  1
  Fe  Fe26  1  0.323352  0.769252  0.354315  1
  Fe  Fe27  1  0.544185  0.211321  0.374216  1
  Fe  Fe28  1  0.767093  0.657494  0.394677  1
  Fe  Fe29  1  0.988695  0.101115  0.414613  1
  Fe  Fe30  1  0.210513  0.545179  0.434585  1
  Fe  Fe31  1  0.432374  0.989329  0.454561  1
  Fe  Fe32  1  0.654112  0.433221  0.474577  1
  Fe  Fe33  1  0.875985  0.877379  0.494643  1
  Fe  Fe34  1  0.097794  0.321417  0.514628  1
  Fe  Fe35  1  0.319683  0.765613  0.534670  1
  Fe  Fe36  1  0.541405  0.209474  0.554644  1
  Fe  Fe37  1  0.763440  0.653948  0.574819  1
  Fe  Fe38  1  0.985051  0.097597  0.594707  1
  Fe  Fe39  1  0.206766  0.541474  0.614583  1
  Fe  Fe40  1  0.428877  0.986120  0.634713  1
  Fe  Fe41  1  0.651151  0.431058  0.654325  1
  Fe  Fe42  1  0.872374  0.873887  0.675722  1
  Fe  Fe43  1  0.093034  0.315828  0.694459  1
  Fe  Fe44  1  0.316583  0.764584  0.713343  1
