# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85390647
_cell_length_b   7.82063407
_cell_length_c   46.42690202
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm28 Al28'
_cell_volume   2794.04252894
_cell_formula_units_Z   28
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
  Sm  Sm1  1  0.661812  0.467218  0.258826  1
  Sm  Sm2  1  0.103776  0.013174  0.255773  1
  Sm  Sm3  1  0.115445  0.523679  0.280476  1
  Sm  Sm4  1  0.672001  0.966210  0.282760  1
  Sm  Sm5  1  0.512741  0.398457  0.330265  1
  Sm  Sm6  1  0.050109  0.870411  0.336621  1
  Sm  Sm7  1  0.076879  0.388683  0.360295  1
  Sm  Sm8  1  0.532794  0.917623  0.355161  1
  Sm  Sm9  1  0.476752  0.255561  0.404051  1
  Sm  Sm10  1  0.912711  0.827990  0.417357  1
  Sm  Sm11  1  0.868147  0.343420  0.437110  1
  Sm  Sm12  1  0.461076  0.758851  0.429229  1
  Sm  Sm13  1  0.238381  0.120403  0.468691  1
  Sm  Sm14  1  0.669370  0.711283  0.497370  1
  Sm  Sm15  1  0.596115  0.219708  0.522131  1
  Sm  Sm16  1  0.165127  0.628828  0.493451  1
  Sm  Sm17  1  0.966350  0.996692  0.553712  1
  Sm  Sm18  1  0.373421  0.581261  0.561592  1
  Sm  Sm19  1  0.357744  0.084550  0.586771  1
  Sm  Sm20  1  0.921785  0.512122  0.573464  1
  Sm  Sm21  1  0.757618  0.951429  0.630526  1
  Sm  Sm22  1  0.301703  0.422488  0.635660  1
  Sm  Sm23  1  0.321756  0.941655  0.660557  1
  Sm  Sm24  1  0.784387  0.469701  0.654200  1
  Sm  Sm25  1  0.719051  0.816432  0.710345  1
  Sm  Sm26  1  0.162496  0.373902  0.708061  1
  Sm  Sm27  1  0.172684  0.872893  0.731996  1
  Sm  Sm28  1  0.730721  0.326938  0.735049  1
  Al  Al29  1  0.875038  0.740496  0.235594  1
  Al  Al30  1  0.388772  0.234808  0.256545  1
  Al  Al31  1  0.387140  0.758634  0.297470  1
  Al  Al32  1  0.895362  0.240923  0.308049  1
  Al  Al33  1  0.786357  0.621724  0.320189  1
  Al  Al34  1  0.275553  0.137412  0.310758  1
  Al  Al35  1  0.300538  0.645710  0.377699  1
  Al  Al36  1  0.816846  0.159100  0.371959  1
  Al  Al37  1  0.702422  0.550426  0.381220  1
  Al  Al38  1  0.174713  0.045695  0.397084  1
  Al  Al39  1  0.186981  0.501374  0.430187  1
  Al  Al40  1  0.629245  0.055875  0.457954  1
  Al  Al41  1  0.498002  0.413344  0.465416  1
  Al  Al42  1  0.920263  0.989651  0.486721  1
  Al  Al43  1  0.914234  0.350460  0.504101  1
  Al  Al44  1  0.336494  0.926767  0.525405  1
  Al  Al45  1  0.205251  0.284236  0.532868  1
  Al  Al46  1  0.647516  0.838738  0.560635  1
  Al  Al47  1  0.659784  0.294416  0.593738  1
  Al  Al48  1  0.132075  0.789685  0.609602  1
  Al  Al49  1  0.017650  0.181012  0.618863  1
  Al  Al50  1  0.533959  0.694402  0.613122  1
  Al  Al51  1  0.558944  0.202700  0.680063  1
  Al  Al52  1  0.048140  0.718387  0.670633  1
  Al  Al53  1  0.939134  0.099189  0.682773  1
  Al  Al54  1  0.447357  0.581477  0.693351  1
  Al  Al55  1  0.445725  0.105304  0.734277  1
  Al  Al56  1  0.959459  0.599616  0.755228  1
