# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.64366946
_cell_length_b   12.63031133
_cell_length_c   46.47092760
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm72 Al72'
_cell_volume   7061.07613172
_cell_formula_units_Z   72
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  0.596842  0.948010  0.297361  1
  Sm  Sm2  1  0.995773  0.676703  0.231024  1
  Sm  Sm3  1  0.882605  0.982949  0.274830  1
  Sm  Sm4  1  0.336577  0.947649  0.250767  1
  Sm  Sm5  1  0.631030  0.669740  0.257045  1
  Sm  Sm6  1  0.976200  0.389905  0.243508  1
  Sm  Sm7  1  0.300972  0.383502  0.231907  1
  Sm  Sm8  1  0.302599  0.656505  0.270214  1
  Sm  Sm9  1  0.623735  0.235475  0.277668  1
  Sm  Sm10  1  0.416544  0.893174  0.362207  1
  Sm  Sm11  1  0.887759  0.556438  0.309717  1
  Sm  Sm12  1  0.878069  0.817009  0.341699  1
  Sm  Sm13  1  0.157116  0.910867  0.314785  1
  Sm  Sm14  1  0.550713  0.516891  0.322193  1
  Sm  Sm15  1  0.901991  0.243701  0.314771  1
  Sm  Sm16  1  0.181962  0.272880  0.299894  1
  Sm  Sm17  1  0.198509  0.553426  0.338822  1
  Sm  Sm18  1  0.470404  0.207705  0.340093  1
  Sm  Sm19  1  0.340537  0.679745  0.423598  1
  Sm  Sm20  1  0.780166  0.495513  0.375749  1
  Sm  Sm21  1  0.766429  0.755476  0.400580  1
  Sm  Sm22  1  0.096719  0.822101  0.389839  1
  Sm  Sm23  1  0.490551  0.419085  0.394006  1
  Sm  Sm24  1  0.758568  0.095168  0.396628  1
  Sm  Sm25  1  0.163027  0.122205  0.366447  1
  Sm  Sm26  1  0.066307  0.363266  0.414235  1
  Sm  Sm27  1  0.407126  0.130665  0.408691  1
  Sm  Sm28  1  0.316576  0.634255  0.498187  1
  Sm  Sm29  1  0.765589  0.331515  0.437547  1
  Sm  Sm30  1  0.608355  0.657529  0.460602  1
  Sm  Sm31  1  0.059248  0.634970  0.457045  1
  Sm  Sm32  1  0.308458  0.380717  0.461637  1
  Sm  Sm33  1  0.644041  0.973299  0.446236  1
  Sm  Sm34  1  0.010580  0.087465  0.438060  1
  Sm  Sm35  1  0.018405  0.344725  0.483458  1
  Sm  Sm36  1  0.354892  0.925515  0.476962  1
  Sm  Sm37  1  0.148262  0.491925  0.583637  1
  Sm  Sm38  1  0.581058  0.256788  0.508947  1
  Sm  Sm39  1  0.569197  0.506840  0.537589  1
  Sm  Sm40  1  0.870414  0.587765  0.518964  1
  Sm  Sm41  1  0.261201  0.206321  0.525397  1
  Sm  Sm42  1  0.621804  0.921998  0.515675  1
  Sm  Sm43  1  0.932548  0.902541  0.504221  1
  Sm  Sm44  1  0.886351  0.214438  0.526083  1
  Sm  Sm45  1  0.189692  0.880077  0.537274  1
  Sm  Sm46  1  0.018624  0.358618  0.627797  1
  Sm  Sm47  1  0.487418  0.183436  0.571303  1
  Sm  Sm48  1  0.464048  0.438623  0.602513  1
  Sm  Sm49  1  0.791789  0.493494  0.586044  1
  Sm  Sm50  1  0.162618  0.105336  0.580618  1
  Sm  Sm51  1  0.438121  0.759512  0.587262  1
  Sm  Sm52  1  0.868638  0.796020  0.569583  1
  Sm  Sm53  1  0.749532  0.051067  0.609076  1
  Sm  Sm54  1  0.112896  0.786882  0.603290  1
  Sm  Sm55  1  0.030822  0.315871  0.698859  1
  Sm  Sm56  1  0.446542  0.026592  0.630677  1
  Sm  Sm57  1  0.299807  0.338166  0.665925  1
  Sm  Sm58  1  0.744672  0.317055  0.650113  1
  Sm  Sm59  1  0.996792  0.057358  0.650945  1
  Sm  Sm60  1  0.406017  0.735720  0.656995  1
  Sm  Sm61  1  0.700842  0.763816  0.632988  1
  Sm  Sm62  1  0.714554  0.028838  0.680190  1
  Sm  Sm63  1  0.048979  0.602656  0.677762  1
  Sm  Sm64  1  0.899977  0.260396  0.766141  1
  Sm  Sm65  1  0.274010  0.977677  0.697187  1
  Sm  Sm66  1  0.281076  0.184053  0.746547  1
  Sm  Sm67  1  0.558018  0.297846  0.720972  1
  Sm  Sm68  1  0.973013  0.875966  0.721946  1
  Sm  Sm69  1  0.308114  0.630159  0.714308  1
  Sm  Sm70  1  0.612658  0.614110  0.703582  1
  Sm  Sm71  1  0.616201  0.930684  0.742752  1
  Sm  Sm72  1  0.856318  0.591343  0.742074  1
  Al  Al73  1  0.851090  0.217128  0.248569  1
  Al  Al74  1  0.115634  0.869279  0.249328  1
  Al  Al75  1  0.075476  0.107414  0.266640  1
  Al  Al76  1  0.409682  0.166461  0.272132  1
  Al  Al77  1  0.811656  0.772445  0.277836  1
  Al  Al78  1  0.129560  0.512391  0.277532  1
  Al  Al79  1  0.517199  0.471182  0.254843  1
  Al  Al80  1  0.442622  0.783663  0.303547  1
  Al  Al81  1  0.742875  0.424144  0.275958  1
  Al  Al82  1  0.739406  0.080657  0.330166  1
  Al  Al83  1  0.046743  0.731364  0.293329  1
  Al  Al84  1  0.955722  0.031110  0.353307  1
  Al  Al85  1  0.334925  0.041041  0.311692  1
  Al  Al86  1  0.653640  0.726948  0.335188  1
  Al  Al87  1  0.031810  0.383601  0.350876  1
  Al  Al88  1  0.371788  0.401382  0.295233  1
  Al  Al89  1  0.342412  0.693368  0.350910  1
  Al  Al90  1  0.688286  0.293683  0.352347  1
  Al  Al91  1  0.623733  0.964661  0.366756  1
  Al  Al92  1  0.994252  0.596426  0.381849  1
  Al  Al93  1  0.910508  0.888470  0.437070  1
  Al  Al94  1  0.252794  0.955850  0.417255  1
  Al  Al95  1  0.548184  0.658869  0.385486  1
  Al  Al96  1  0.912607  0.240168  0.382019  1
  Al  Al97  1  0.259490  0.331947  0.371430  1
  Al  Al98  1  0.210778  0.525021  0.404416  1
  Al  Al99  1  0.565461  0.236313  0.442611  1
  Al  Al100  1  0.494304  0.849984  0.421210  1
  Al  Al101  1  0.857626  0.541913  0.443558  1
  Al  Al102  1  0.806097  0.757338  0.469570  1
  Al  Al103  1  0.143758  0.849901  0.462719  1
  Al  Al104  1  0.522083  0.458042  0.464745  1
  Al  Al105  1  0.782712  0.110339  0.472178  1
  Al  Al106  1  0.220304  0.163974  0.453912  1
  Al  Al107  1  0.148259  0.475117  0.515394  1
  Al  Al108  1  0.441328  0.128695  0.478652  1
  Al  Al109  1  0.474683  0.760609  0.522000  1
  Al  Al110  1  0.747384  0.433326  0.494284  1
  Al  Al111  1  0.662933  0.712470  0.556827  1
  Al  Al112  1  0.085616  0.684714  0.533744  1
  Al  Al113  1  0.357797  0.411508  0.537275  1
  Al  Al114  1  0.746736  0.063063  0.544463  1
  Al  Al115  1  0.108157  0.073947  0.497999  1
  Al  Al116  1  0.020805  0.351684  0.554494  1
  Al  Al117  1  0.398225  0.974451  0.550967  1
  Al  Al118  1  0.300352  0.623492  0.563167  1
  Al  Al119  1  0.690058  0.283383  0.574783  1
  Al  Al120  1  0.614539  0.562110  0.634018  1
  Al  Al121  1  0.942155  0.626309  0.619273  1
  Al  Al122  1  0.279504  0.264847  0.604678  1
  Al  Al123  1  0.602651  0.920436  0.580923  1
  Al  Al124  1  0.963170  0.005010  0.570827  1
  Al  Al125  1  0.901993  0.216549  0.594349  1
  Al  Al126  1  0.242278  0.934807  0.628842  1
  Al  Al127  1  0.263297  0.583593  0.641203  1
  Al  Al128  1  0.542223  0.227177  0.646603  1
  Al  Al129  1  0.483571  0.464388  0.668618  1
  Al  Al130  1  0.832477  0.530237  0.667066  1
  Al  Al131  1  0.198440  0.152118  0.649100  1
  Al  Al132  1  0.546520  0.877792  0.683895  1
  Al  Al133  1  0.914537  0.840333  0.649520  1
  Al  Al134  1  0.855072  0.171859  0.703896  1
  Al  Al135  1  0.146169  0.807196  0.669818  1
  Al  Al136  1  0.069443  0.401228  0.760248  1
  Al  Al137  1  0.456959  0.112566  0.694488  1
  Al  Al138  1  0.225230  0.426955  0.724145  1
  Al  Al139  1  0.774191  0.392355  0.713577  1
  Al  Al140  1  0.061025  0.085713  0.726580  1
  Al  Al141  1  0.437968  0.803972  0.731465  1
  Al  Al142  1  0.791531  0.765879  0.693892  1
  Al  Al143  1  0.763935  0.088116  0.746069  1
  Al  Al144  1  0.087780  0.622930  0.744881  1
