# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.93851256
_cell_length_b   11.21633206
_cell_length_c   48.73640548
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.39912209
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm28 Al84'
_cell_volume   5209.4410012
_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  0.905049  0.649813  0.287320  1
  Sm  Sm2  1  0.124233  0.071791  0.315452  1
  Sm  Sm3  1  0.343224  0.870968  0.300142  1
  Sm  Sm4  1  0.576782  0.320367  0.332367  1
  Sm  Sm5  1  0.360452  0.538949  0.349643  1
  Sm  Sm6  1  0.580939  0.983046  0.378021  1
  Sm  Sm7  1  0.790882  0.754547  0.360991  1
  Sm  Sm8  1  0.019354  0.205235  0.393437  1
  Sm  Sm9  1  0.802384  0.423123  0.409186  1
  Sm  Sm10  1  0.028681  0.875866  0.441408  1
  Sm  Sm11  1  0.244852  0.651308  0.425101  1
  Sm  Sm12  1  0.466852  0.096031  0.456233  1
  Sm  Sm13  1  0.250510  0.319822  0.472428  1
  Sm  Sm14  1  0.474033  0.765878  0.503310  1
  Sm  Sm15  1  0.692588  0.545226  0.487801  1
  Sm  Sm16  1  0.916111  0.991282  0.518683  1
  Sm  Sm17  1  0.699769  0.215073  0.534878  1
  Sm  Sm18  1  0.921769  0.659797  0.566010  1
  Sm  Sm19  1  0.137940  0.435239  0.549702  1
  Sm  Sm20  1  0.364237  0.887981  0.581924  1
  Sm  Sm21  1  0.147267  0.105870  0.597673  1
  Sm  Sm22  1  0.375739  0.556558  0.630120  1
  Sm  Sm23  1  0.585682  0.328058  0.613090  1
  Sm  Sm24  1  0.806169  0.772155  0.641468  1
  Sm  Sm25  1  0.589839  0.990738  0.658744  1
  Sm  Sm26  1  0.823397  0.440137  0.690969  1
  Sm  Sm27  1  0.042388  0.239313  0.675659  1
  Sm  Sm28  1  0.261572  0.661292  0.703791  1
  Al  Al29  1  0.575432  0.819923  0.326071  1
  Al  Al30  1  0.341770  0.362506  0.299895  1
  Al  Al31  1  0.372110  0.612788  0.288071  1
  Al  Al32  1  0.646413  0.091802  0.313772  1
  Al  Al33  1  0.606691  0.595977  0.308144  1
  Al  Al34  1  0.410338  0.163443  0.283205  1
  Al  Al35  1  0.123427  0.573672  0.317348  1
  Al  Al36  1  0.900615  0.144589  0.288614  1
  Al  Al37  1  0.810130  0.868387  0.297818  1
  Al  Al38  1  0.072319  0.312574  0.329907  1
  Al  Al39  1  0.082769  0.798664  0.337628  1
  Al  Al40  1  0.861357  0.358676  0.302973  1
  Al  Al41  1  0.028955  0.708885  0.391693  1
  Al  Al42  1  0.813847  0.264398  0.357260  1
  Al  Al43  1  0.875629  0.534404  0.347566  1
  Al  Al44  1  0.087051  0.978787  0.378523  1
  Al  Al45  1  0.074492  0.488666  0.373704  1
  Al  Al46  1  0.847160  0.041297  0.342607  1
  Al  Al47  1  0.565438  0.474223  0.383334  1
  Al  Al48  1  0.344389  0.032094  0.350927  1
  Al  Al49  1  0.284596  0.759377  0.362531  1
  Al  Al50  1  0.503200  0.203712  0.393819  1
  Al  Al51  1  0.532502  0.700835  0.398900  1
  Al  Al52  1  0.298521  0.250004  0.364991  1
  Al  Al53  1  0.481953  0.603234  0.453089  1
  Al  Al54  1  0.255811  0.157675  0.421225  1
  Al  Al55  1  0.315661  0.425462  0.410492  1
  Al  Al56  1  0.541939  0.874452  0.440949  1
  Al  Al57  1  0.521408  0.379887  0.437828  1
  Al  Al58  1  0.294165  0.933619  0.405619  1
  Al  Al59  1  0.014433  0.367558  0.444244  1
  Al  Al60  1  0.794122  0.920484  0.412331  1
  Al  Al61  1  0.736106  0.650812  0.425077  1
  Al  Al62  1  0.953721  0.097625  0.456102  1
  Al  Al63  1  0.973361  0.590566  0.459499  1
  Al  Al64  1  0.750974  0.142098  0.429120  1
  Al  Al65  1  0.928863  0.498111  0.515142  1
  Al  Al66  1  0.703050  0.050128  0.484428  1
  Al  Al67  1  0.762705  0.320608  0.472050  1
  Al  Al68  1  0.989442  0.767202  0.503652  1
  Al  Al69  1  0.966101  0.273677  0.499236  1
  Al  Al70  1  0.744273  0.827757  0.468042  1
  Al  Al71  1  0.463571  0.260977  0.506683  1
  Al  Al72  1  0.237758  0.812994  0.475969  1
  Al  Al73  1  0.177179  0.543902  0.487458  1
  Al  Al74  1  0.403916  0.990496  0.519061  1
  Al  Al75  1  0.422348  0.483347  0.523069  1
  Al  Al76  1  0.200520  0.037427  0.491875  1
  Al  Al77  1  0.372499  0.390621  0.578780  1
  Al  Al78  1  0.152188  0.943547  0.546867  1
  Al  Al79  1  0.212900  0.213479  0.535009  1
  Al  Al80  1  0.430515  0.660293  0.566034  1
  Al  Al81  1  0.415647  0.169006  0.561990  1
  Al  Al82  1  0.193260  0.720538  0.531612  1
  Al  Al83  1  0.910810  0.153430  0.569886  1
  Al  Al84  1  0.684668  0.707871  0.538022  1
  Al  Al85  1  0.624682  0.436653  0.550162  1
  Al  Al86  1  0.850960  0.885643  0.580618  1
  Al  Al87  1  0.872456  0.377486  0.585492  1
  Al  Al88  1  0.645213  0.931218  0.553283  1
  Al  Al89  1  0.822232  0.279011  0.640184  1
  Al  Al90  1  0.601183  0.836881  0.607777  1
  Al  Al91  1  0.663421  0.107393  0.597291  1
  Al  Al92  1  0.882025  0.551727  0.628580  1
  Al  Al93  1  0.868100  0.061100  0.626119  1
  Al  Al94  1  0.634119  0.610269  0.592211  1
  Al  Al95  1  0.352774  0.046707  0.633851  1
  Al  Al96  1  0.137666  0.602220  0.599418  1
  Al  Al97  1  0.079570  0.332318  0.612588  1
  Al  Al98  1  0.290992  0.776701  0.643544  1
  Al  Al99  1  0.319461  0.269807  0.648504  1
  Al  Al100  1  0.092129  0.822438  0.617406  1
  Al  Al101  1  0.266006  0.166516  0.702497  1
  Al  Al102  1  0.043194  0.737433  0.673763  1
  Al  Al103  1  0.094302  0.998530  0.661204  1
  Al  Al104  1  0.356491  0.442718  0.693292  1
  Al  Al105  1  0.305264  0.952428  0.688137  1
  Al  Al106  1  0.083852  0.512441  0.653482  1
  Al  Al107  1  0.824851  0.948599  0.691216  1
  Al  Al108  1  0.591189  0.491182  0.665040  1
  Al  Al109  1  0.520208  0.219303  0.677339  1
  Al  Al110  1  0.794511  0.698317  0.703039  1
  Al  Al111  1  0.756283  0.147662  0.707906  1
  Al  Al112  1  0.559930  0.715127  0.682967  1
