# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33188529
_cell_length_b   11.93242461
_cell_length_c   47.36974726
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm20 Al60'
_cell_volume   3579.00912133
_cell_formula_units_Z   20
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  0.504210  0.631464  0.278771  1
  Sm  Sm2  1  1.004210  0.205232  0.323768  1
  Sm  Sm3  1  1.004210  0.841952  0.306922  1
  Sm  Sm4  1  0.504210  0.421865  0.355193  1
  Sm  Sm5  1  0.504210  0.780613  0.367206  1
  Sm  Sm6  1  1.004210  0.354518  0.413116  1
  Sm  Sm7  1  1.004210  0.996250  0.397646  1
  Sm  Sm8  1  0.504210  0.571147  0.443852  1
  Sm  Sm9  1  0.504210  0.930175  0.459104  1
  Sm  Sm10  1  1.004210  0.505979  0.504161  1
  Sm  Sm11  1  1.004210  0.145644  0.489441  1
  Sm  Sm12  1  0.504210  0.721449  0.534497  1
  Sm  Sm13  1  0.504210  0.080477  0.549750  1
  Sm  Sm14  1  1.004210  0.655373  0.595955  1
  Sm  Sm15  1  1.004210  0.297106  0.580486  1
  Sm  Sm16  1  0.504210  0.871011  0.626396  1
  Sm  Sm17  1  0.504210  0.229759  0.638409  1
  Sm  Sm18  1  1.004210  0.809671  0.686680  1
  Sm  Sm19  1  1.004210  0.446392  0.669834  1
  Sm  Sm20  1  0.504210  0.020160  0.714831  1
  Al  Al21  1  0.504210  0.867156  0.304838  1
  Al  Al22  1  1.004210  0.436749  0.350368  1
  Al  Al23  1  0.282163  1.001456  0.343677  1
  Al  Al24  1  0.746700  0.407391  0.298568  1
  Al  Al25  1  0.726257  1.001456  0.343677  1
  Al  Al26  1  0.261720  0.407391  0.298568  1
  Al  Al27  1  1.004210  0.589002  0.281908  1
  Al  Al28  1  0.504210  0.201529  0.320472  1
  Al  Al29  1  0.230066  0.621295  0.331527  1
  Al  Al30  1  0.727694  0.053000  0.285170  1
  Al  Al31  1  0.778354  0.621295  0.331527  1
  Al  Al32  1  0.280726  0.053000  0.285170  1
  Al  Al33  1  0.504210  0.008768  0.396885  1
  Al  Al34  1  1.004210  0.586740  0.442237  1
  Al  Al35  1  0.276349  0.147564  0.435601  1
  Al  Al36  1  0.782022  0.577023  0.390292  1
  Al  Al37  1  0.732071  0.147564  0.435601  1
  Al  Al38  1  0.226398  0.577023  0.390292  1
  Al  Al39  1  1.004210  0.766360  0.368929  1
  Al  Al40  1  0.504210  0.336595  0.416045  1
  Al  Al41  1  0.231285  0.778076  0.421448  1
  Al  Al42  1  0.724176  0.199728  0.376256  1
  Al  Al43  1  0.777135  0.778076  0.421448  1
  Al  Al44  1  0.284244  0.199728  0.376256  1
  Al  Al45  1  0.504210  0.161914  0.487735  1
  Al  Al46  1  1.004210  0.735483  0.533694  1
  Al  Al47  1  0.276801  0.300324  0.526339  1
  Al  Al48  1  0.779827  0.725477  0.480779  1
  Al  Al49  1  0.731619  0.300324  0.526339  1
  Al  Al50  1  0.228593  0.725477  0.480779  1
  Al  Al51  1  1.004210  0.916141  0.459908  1
  Al  Al52  1  0.504210  0.489710  0.505867  1
  Al  Al53  1  0.228593  0.926146  0.512823  1
  Al  Al54  1  0.731619  0.351299  0.467263  1
  Al  Al55  1  0.779827  0.926146  0.512823  1
  Al  Al56  1  0.276801  0.351299  0.467263  1
  Al  Al57  1  0.504210  0.315029  0.577557  1
  Al  Al58  1  1.004210  0.885264  0.624673  1
  Al  Al59  1  0.284244  0.451896  0.617345  1
  Al  Al60  1  0.777135  0.873548  0.572154  1
  Al  Al61  1  0.724176  0.451896  0.617345  1
  Al  Al62  1  0.231285  0.873548  0.572154  1
  Al  Al63  1  1.004210  0.064883  0.551365  1
  Al  Al64  1  0.504210  0.642855  0.596717  1
  Al  Al65  1  0.226398  0.074600  0.603310  1
  Al  Al66  1  0.732071  0.504059  0.558000  1
  Al  Al67  1  0.782022  0.074600  0.603310  1
  Al  Al68  1  0.276349  0.504059  0.558000  1
  Al  Al69  1  0.504210  0.450095  0.673130  1
  Al  Al70  1  1.004210  0.062622  0.711694  1
  Al  Al71  1  0.280726  0.598624  0.708432  1
  Al  Al72  1  0.778354  0.030329  0.662075  1
  Al  Al73  1  0.727694  0.598624  0.708432  1
  Al  Al74  1  0.230066  0.030329  0.662075  1
  Al  Al75  1  1.004210  0.214874  0.643233  1
  Al  Al76  1  0.504210  0.784467  0.688764  1
  Al  Al77  1  0.261720  0.244233  0.695034  1
  Al  Al78  1  0.726257  0.650168  0.649925  1
  Al  Al79  1  0.746700  0.244233  0.695034  1
  Al  Al80  1  0.282163  0.650168  0.649925  1
