# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.71614575
_cell_length_b   15.26026488
_cell_length_c   51.85889614
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.51910626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm72 Al216'
_cell_volume   13187.7047187
_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  0.273021  0.170518  0.279552  1
  Sm  Sm2  1  0.306261  0.716665  0.352581  1
  Sm  Sm3  1  0.288966  0.430315  0.314043  1
  Sm  Sm4  1  0.606354  0.837185  0.279552  1
  Sm  Sm5  1  0.639595  0.383332  0.352581  1
  Sm  Sm6  1  0.939688  0.503852  0.279552  1
  Sm  Sm7  1  0.622299  0.096981  0.314043  1
  Sm  Sm8  1  0.972928  0.049999  0.352581  1
  Sm  Sm9  1  0.955633  0.763648  0.314043  1
  Sm  Sm10  1  0.400498  0.955270  0.307025  1
  Sm  Sm11  1  0.437028  0.502557  0.381141  1
  Sm  Sm12  1  0.417919  0.225377  0.343777  1
  Sm  Sm13  1  0.733831  0.621937  0.307025  1
  Sm  Sm14  1  0.770361  0.169224  0.381141  1
  Sm  Sm15  1  0.067164  0.288603  0.307025  1
  Sm  Sm16  1  0.751253  0.892044  0.343777  1
  Sm  Sm17  1  0.103694  0.835891  0.381141  1
  Sm  Sm18  1  0.084586  0.558710  0.343777  1
  Sm  Sm19  1  0.325119  0.989972  0.388028  1
  Sm  Sm20  1  0.364492  0.543808  0.462419  1
  Sm  Sm21  1  0.345418  0.268010  0.425564  1
  Sm  Sm22  1  0.658453  0.656639  0.388028  1
  Sm  Sm23  1  0.697825  0.210475  0.462419  1
  Sm  Sm24  1  0.991786  0.323305  0.388028  1
  Sm  Sm25  1  0.678751  0.934677  0.425564  1
  Sm  Sm26  1  0.031159  0.877141  0.462419  1
  Sm  Sm27  1  0.012085  0.601344  0.425564  1
  Sm  Sm28  1  0.455150  0.777271  0.418298  1
  Sm  Sm29  1  0.494177  0.330923  0.492663  1
  Sm  Sm30  1  0.475096  0.055011  0.455634  1
  Sm  Sm31  1  0.788483  0.443938  0.418298  1
  Sm  Sm32  1  0.827510  0.997590  0.492663  1
  Sm  Sm33  1  0.121817  0.110605  0.418298  1
  Sm  Sm34  1  0.808429  0.721677  0.455634  1
  Sm  Sm35  1  0.160843  0.664256  0.492663  1
  Sm  Sm36  1  0.141763  0.388344  0.455634  1
  Sm  Sm37  1  0.384462  0.821335  0.499503  1
  Sm  Sm38  1  0.423489  0.374986  0.573868  1
  Sm  Sm39  1  0.403543  0.097247  0.536532  1
  Sm  Sm40  1  0.717796  0.488001  0.499503  1
  Sm  Sm41  1  0.756822  0.041653  0.573868  1
  Sm  Sm42  1  0.051129  0.154668  0.499503  1
  Sm  Sm43  1  0.736876  0.763914  0.536532  1
  Sm  Sm44  1  0.090156  0.708320  0.573868  1
  Sm  Sm45  1  0.070210  0.430580  0.536532  1
  Sm  Sm46  1  0.514147  0.608450  0.529747  1
  Sm  Sm47  1  0.553520  0.162286  0.604139  1
  Sm  Sm48  1  0.533221  0.884247  0.566603  1
  Sm  Sm49  1  0.847481  0.275116  0.529747  1
  Sm  Sm50  1  0.886853  0.828952  0.604139  1
  Sm  Sm51  1  0.180814  0.941783  0.529747  1
  Sm  Sm52  1  0.866554  0.550914  0.566603  1
  Sm  Sm53  1  0.220186  0.495619  0.604139  1
  Sm  Sm54  1  0.199888  0.217581  0.566603  1
  Sm  Sm55  1  0.441611  0.649700  0.611026  1
  Sm  Sm56  1  0.478141  0.196988  0.685142  1
  Sm  Sm57  1  0.460720  0.926881  0.648389  1
  Sm  Sm58  1  0.774945  0.316367  0.611026  1
  Sm  Sm59  1  0.811475  0.863654  0.685142  1
  Sm  Sm60  1  0.108278  0.983034  0.611026  1
  Sm  Sm61  1  0.794053  0.593547  0.648389  1
  Sm  Sm62  1  0.144808  0.530321  0.685142  1
  Sm  Sm63  1  0.127387  0.260214  0.648389  1
  Sm  Sm64  1  0.572378  0.435592  0.639585  1
  Sm  Sm65  1  0.605618  0.981739  0.712614  1
  Sm  Sm66  1  0.589673  0.721943  0.678123  1
  Sm  Sm67  1  0.905711  0.102259  0.639585  1
  Sm  Sm68  1  0.938952  0.648406  0.712614  1
  Sm  Sm69  1  0.239045  0.768926  0.639585  1
  Sm  Sm70  1  0.923006  0.388610  0.678123  1
  Sm  Sm71  1  0.272285  0.315073  0.712614  1
  Sm  Sm72  1  0.256340  0.055276  0.678123  1
  Al  Al73  1  0.214292  0.971506  0.292911  1
  Al  Al74  1  0.255537  0.523621  0.365946  1
  Al  Al75  1  0.232307  0.243353  0.332088  1
  Al  Al76  1  0.547625  0.638173  0.292911  1
  Al  Al77  1  0.588870  0.190287  0.365946  1
  Al  Al78  1  0.880958  0.304840  0.292911  1
  Al  Al79  1  0.565640  0.910019  0.332088  1
  Al  Al80  1  0.922203  0.856954  0.365946  1
  Al  Al81  1  0.898974  0.576686  0.332088  1
  Al  Al82  1  0.481020  0.044796  0.354273  1
  Al  Al83  1  0.452878  0.764682  0.314103  1
  Al  Al84  1  0.447502  0.494532  0.281062  1
  Al  Al85  1  0.814353  0.711463  0.354273  1
  Al  Al86  1  0.786211  0.431349  0.314103  1
  Al  Al87  1  0.147687  0.378130  0.354273  1
  Al  Al88  1  0.780835  0.161198  0.281062  1
  Al  Al89  1  0.119544  0.098015  0.314103  1
  Al  Al90  1  0.114169  0.827865  0.281062  1
  Al  Al91  1  0.285898  0.075735  0.333325  1
  Al  Al92  1  0.276410  0.794279  0.296141  1
  Al  Al93  1  0.308917  0.351528  0.370572  1
  Al  Al94  1  0.619232  0.742401  0.333325  1
  Al  Al95  1  0.609743  0.460946  0.296141  1
  Al  Al96  1  0.952565  0.409068  0.333325  1
  Al  Al97  1  0.642250  0.018195  0.370572  1
  Al  Al98  1  0.943076  0.127613  0.296141  1
  Al  Al99  1  0.975583  0.684862  0.370572  1
  Al  Al100  1  0.459307  0.146254  0.290030  1
  Al  Al101  1  0.487563  0.693808  0.364374  1
  Al  Al102  1  0.473290  0.416638  0.328582  1
  Al  Al103  1  0.792641  0.812921  0.290030  1
  Al  Al104  1  0.820896  0.360475  0.364374  1
  Al  Al105  1  0.125974  0.479587  0.290030  1
  Al  Al106  1  0.806623  0.083305  0.328582  1
  Al  Al107  1  0.154230  0.027142  0.364374  1
  Al  Al108  1  0.139956  0.749971  0.328582  1
  Al  Al109  1  0.242663  0.896875  0.340633  1
  Al  Al110  1  0.237760  0.618123  0.304863  1
  Al  Al111  1  0.263463  0.171132  0.379746  1
  Al  Al112  1  0.575996  0.563541  0.340633  1
  Al  Al113  1  0.571093  0.284790  0.304863  1
  Al  Al114  1  0.909329  0.230208  0.340633  1
  Al  Al115  1  0.596797  0.837799  0.379746  1
  Al  Al116  1  0.904427  0.951456  0.304863  1
  Al  Al117  1  0.930130  0.504465  0.379746  1
  Al  Al118  1  0.434813  0.864450  0.362189  1
  Al  Al119  1  0.411150  0.589002  0.324474  1
  Al  Al120  1  0.416573  0.315677  0.287333  1
  Al  Al121  1  0.768146  0.531116  0.362189  1
  Al  Al122  1  0.744483  0.255669  0.324474  1
  Al  Al123  1  0.101480  0.197783  0.362189  1
  Al  Al124  1  0.749906  0.982343  0.287333  1
  Al  Al125  1  0.077817  0.922336  0.324474  1
  Al  Al126  1  0.083239  0.649010  0.287333  1
  Al  Al127  1  0.272957  0.799741  0.404984  1
  Al  Al128  1  0.312742  0.353068  0.478260  1
  Al  Al129  1  0.293523  0.076695  0.440671  1
  Al  Al130  1  0.606290  0.466408  0.404984  1
  Al  Al131  1  0.646075  0.019734  0.478260  1
  Al  Al132  1  0.939624  0.133074  0.404984  1
  Al  Al133  1  0.626856  0.743361  0.440671  1
  Al  Al134  1  0.979408  0.686401  0.478260  1
  Al  Al135  1  0.960189  0.410028  0.440671  1
  Al  Al136  1  0.538052  0.873456  0.464672  1
  Al  Al137  1  0.519010  0.596770  0.428057  1
  Al  Al138  1  0.498583  0.319910  0.390655  1
  Al  Al139  1  0.871385  0.540123  0.464672  1
  Al  Al140  1  0.852344  0.263437  0.428057  1
  Al  Al141  1  0.204718  0.206790  0.464672  1
  Al  Al142  1  0.831916  0.986577  0.390655  1
  Al  Al143  1  0.185677  0.930104  0.428057  1
  Al  Al144  1  0.165249  0.653243  0.390655  1
  Al  Al145  1  0.346747  0.905170  0.444426  1
  Al  Al146  1  0.325885  0.627330  0.407473  1
  Al  Al147  1  0.365123  0.181562  0.481403  1
  Al  Al148  1  0.680080  0.571836  0.444426  1
  Al  Al149  1  0.659218  0.293996  0.407473  1
  Al  Al150  1  0.013413  0.238503  0.444426  1
  Al  Al151  1  0.698456  0.848228  0.481403  1
  Al  Al152  1  0.992551  0.960663  0.407473  1
  Al  Al153  1  0.031789  0.514895  0.481403  1
  Al  Al154  1  0.507248  0.968706  0.403032  1
  Al  Al155  1  0.546219  0.522106  0.477169  1
  Al  Al156  1  0.526643  0.245631  0.439863  1
  Al  Al157  1  0.840582  0.635372  0.403032  1
  Al  Al158  1  0.879552  0.188772  0.477169  1
  Al  Al159  1  0.173915  0.302039  0.403032  1
  Al  Al160  1  0.859976  0.912298  0.439863  1
  Al  Al161  1  0.212886  0.855439  0.477169  1
  Al  Al162  1  0.193310  0.578965  0.439863  1
  Al  Al163  1  0.301450  0.724986  0.453500  1
  Al  Al164  1  0.281428  0.448885  0.415698  1
  Al  Al165  1  0.320374  0.002183  0.490008  1
  Al  Al166  1  0.634783  0.391653  0.453500  1
  Al  Al167  1  0.614761  0.115552  0.415698  1
  Al  Al168  1  0.968117  0.058319  0.453500  1
  Al  Al169  1  0.653707  0.668850  0.490008  1
  Al  Al170  1  0.948095  0.782219  0.415698  1
  Al  Al171  1  0.987041  0.335516  0.490008  1
  Al  Al172  1  0.493341  0.693874  0.473576  1
  Al  Al173  1  0.473804  0.417172  0.436731  1
  Al  Al174  1  0.454150  0.140657  0.399356  1
  Al  Al175  1  0.826675  0.360541  0.473576  1
  Al  Al176  1  0.807138  0.083839  0.436731  1
  Al  Al177  1  0.160008  0.027208  0.473576  1
  Al  Al178  1  0.787483  0.807324  0.399356  1
  Al  Al179  1  0.140471  0.750505  0.436731  1
  Al  Al180  1  0.120817  0.473990  0.399356  1
  Al  Al181  1  0.332420  0.630152  0.514997  1
  Al  Al182  1  0.371391  0.183552  0.589135  1
  Al  Al183  1  0.351996  0.906626  0.552303  1
  Al  Al184  1  0.665753  0.296819  0.514997  1
  Al  Al185  1  0.704724  0.850219  0.589135  1
  Al  Al186  1  0.999087  0.963485  0.514997  1
  Al  Al187  1  0.685329  0.573293  0.552303  1
  Al  Al188  1  0.038058  0.516885  0.589135  1
  Al  Al189  1  0.018663  0.239960  0.552303  1
  Al  Al190  1  0.597211  0.703372  0.576469  1
  Al  Al191  1  0.577189  0.427272  0.538666  1
  Al  Al192  1  0.558265  0.150075  0.502158  1
  Al  Al193  1  0.930544  0.370039  0.576469  1
  Al  Al194  1  0.910523  0.093938  0.538666  1
  Al  Al195  1  0.263878  0.036706  0.576469  1
  Al  Al196  1  0.891598  0.816741  0.502158  1
  Al  Al197  1  0.243856  0.760605  0.538666  1
  Al  Al198  1  0.224932  0.483408  0.502158  1
  Al  Al199  1  0.404835  0.735086  0.555435  1
  Al  Al200  1  0.385298  0.458383  0.518590  1
  Al  Al201  1  0.424489  0.011601  0.592810  1
  Al  Al202  1  0.738168  0.401752  0.555435  1
  Al  Al203  1  0.718631  0.125050  0.518590  1
  Al  Al204  1  0.071502  0.068419  0.555435  1
  Al  Al205  1  0.757822  0.678267  0.592810  1
  Al  Al206  1  0.051965  0.791717  0.518590  1
  Al  Al207  1  0.091156  0.344934  0.592810  1
  Al  Al208  1  0.565898  0.799190  0.513906  1
  Al  Al209  1  0.605682  0.352517  0.587182  1
  Al  Al210  1  0.585117  0.075563  0.551495  1
  Al  Al211  1  0.899231  0.465857  0.513906  1
  Al  Al212  1  0.939015  0.019183  0.587182  1
  Al  Al213  1  0.232564  0.132523  0.513906  1
  Al  Al214  1  0.918450  0.742230  0.551495  1
  Al  Al215  1  0.272349  0.685850  0.587182  1
  Al  Al216  1  0.251783  0.408896  0.551495  1
  Al  Al217  1  0.359629  0.555487  0.564109  1
  Al  Al218  1  0.340587  0.278801  0.527494  1
  Al  Al219  1  0.380057  0.832348  0.601511  1
  Al  Al220  1  0.692962  0.222154  0.564109  1
  Al  Al221  1  0.673921  0.945468  0.527494  1
  Al  Al222  1  0.026295  0.888821  0.564109  1
  Al  Al223  1  0.713390  0.499014  0.601511  1
  Al  Al224  1  0.007254  0.612135  0.527494  1
  Al  Al225  1  0.046723  0.165681  0.601511  1
  Al  Al226  1  0.552754  0.524928  0.584693  1
  Al  Al227  1  0.531893  0.247088  0.547740  1
  Al  Al228  1  0.513517  0.970696  0.510763  1
  Al  Al229  1  0.886088  0.191595  0.584693  1
  Al  Al230  1  0.865226  0.913755  0.547740  1
  Al  Al231  1  0.219421  0.858261  0.584693  1
  Al  Al232  1  0.846850  0.637363  0.510763  1
  Al  Al233  1  0.198559  0.580421  0.547740  1
  Al  Al234  1  0.180183  0.304029  0.510763  1
  Al  Al235  1  0.391076  0.458449  0.627792  1
  Al  Al236  1  0.419332  0.006004  0.702136  1
  Al  Al237  1  0.405349  0.735620  0.663584  1
  Al  Al238  1  0.724410  0.125116  0.627792  1
  Al  Al239  1  0.752665  0.672670  0.702136  1
  Al  Al240  1  0.057743  0.791783  0.627792  1
  Al  Al241  1  0.738683  0.402286  0.663584  1
  Al  Al242  1  0.085998  0.339337  0.702136  1
  Al  Al243  1  0.072016  0.068953  0.663584  1
  Al  Al244  1  0.640879  0.534135  0.687303  1
  Al  Al245  1  0.635976  0.255383  0.651533  1
  Al  Al246  1  0.615176  0.981126  0.612420  1
  Al  Al247  1  0.974213  0.200801  0.687303  1
  Al  Al248  1  0.969310  0.922050  0.651533  1
  Al  Al249  1  0.307546  0.867468  0.687303  1
  Al  Al250  1  0.948509  0.647792  0.612420  1
  Al  Al251  1  0.302643  0.588716  0.651533  1
  Al  Al252  1  0.281843  0.314459  0.612420  1
  Al  Al253  1  0.467489  0.563255  0.667692  1
  Al  Al254  1  0.443826  0.287808  0.629977  1
  Al  Al255  1  0.462067  0.836581  0.704834  1
  Al  Al256  1  0.800822  0.229922  0.667692  1
  Al  Al257  1  0.777159  0.954475  0.629977  1
  Al  Al258  1  0.134156  0.896589  0.667692  1
  Al  Al259  1  0.795400  0.503248  0.704834  1
  Al  Al260  1  0.110493  0.621141  0.629977  1
  Al  Al261  1  0.128733  0.169914  0.704834  1
  Al  Al262  1  0.623103  0.628637  0.626220  1
  Al  Al263  1  0.664348  0.180751  0.699255  1
  Al  Al264  1  0.646332  0.908905  0.660079  1
  Al  Al265  1  0.956436  0.295304  0.626220  1
  Al  Al266  1  0.997681  0.847418  0.699255  1
  Al  Al267  1  0.289769  0.961970  0.626220  1
  Al  Al268  1  0.979666  0.575572  0.660079  1
  Al  Al269  1  0.331014  0.514085  0.699255  1
  Al  Al270  1  0.312999  0.242238  0.660079  1
  Al  Al271  1  0.425761  0.387576  0.678063  1
  Al  Al272  1  0.397619  0.107461  0.637893  1
  Al  Al273  1  0.431137  0.657726  0.711104  1
  Al  Al274  1  0.759095  0.054242  0.678063  1
  Al  Al275  1  0.730953  0.774128  0.637893  1
  Al  Al276  1  0.092428  0.720909  0.678063  1
  Al  Al277  1  0.764470  0.324393  0.711104  1
  Al  Al278  1  0.064286  0.440795  0.637893  1
  Al  Al279  1  0.097804  0.991059  0.711104  1
  Al  Al280  1  0.602229  0.357978  0.696025  1
  Al  Al281  1  0.592741  0.076523  0.658841  1
  Al  Al282  1  0.569723  0.800729  0.621595  1
  Al  Al283  1  0.935563  0.024645  0.696025  1
  Al  Al284  1  0.926074  0.743190  0.658841  1
  Al  Al285  1  0.268896  0.691312  0.696025  1
  Al  Al286  1  0.903056  0.467396  0.621595  1
  Al  Al287  1  0.259407  0.409856  0.658841  1
  Al  Al288  1  0.236389  0.134063  0.621595  1
