# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.46000220
_cell_length_b   17.45491301
_cell_length_c   49.49656574
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm162 Al54'
_cell_volume   14352.8918633
_cell_formula_units_Z   54
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  0.006296  0.252128  0.332109  1
  Sm  Sm2  1  0.270090  0.934429  0.321821  1
  Sm  Sm3  1  0.300342  0.410333  0.276023  1
  Sm  Sm4  1  0.582681  0.245664  0.349659  1
  Sm  Sm5  1  0.907094  0.921081  0.343439  1
  Sm  Sm6  1  0.281983  0.519561  0.334334  1
  Sm  Sm7  1  0.578270  0.685814  0.311046  1
  Sm  Sm8  1  0.755277  0.980720  0.292392  1
  Sm  Sm9  1  0.942262  0.640393  0.273089  1
  Sm  Sm10  1  0.939549  0.109688  0.360732  1
  Sm  Sm11  1  0.234953  0.706681  0.357529  1
  Sm  Sm12  1  0.354540  0.114209  0.314900  1
  Sm  Sm13  1  0.651099  0.182612  0.280571  1
  Sm  Sm14  1  0.969046  0.842053  0.277716  1
  Sm  Sm15  1  0.360425  0.637821  0.285896  1
  Sm  Sm16  1  0.642294  0.457293  0.344711  1
  Sm  Sm17  1  0.701200  0.819837  0.299698  1
  Sm  Sm18  1  0.977288  0.445887  0.311832  1
  Sm  Sm19  1  0.760629  0.271308  0.326531  1
  Sm  Sm20  1  0.074362  0.986622  0.311588  1
  Sm  Sm21  1  0.181148  0.293861  0.302041  1
  Sm  Sm22  1  0.496297  0.390196  0.299483  1
  Sm  Sm23  1  0.884396  0.101291  0.290492  1
  Sm  Sm24  1  0.152089  0.656063  0.282754  1
  Sm  Sm25  1  0.452773  0.590882  0.348869  1
  Sm  Sm26  1  0.535820  0.031542  0.269004  1
  Sm  Sm27  1  0.799071  0.616707  0.321840  1
  Sm  Sm28  1  0.793569  0.175199  0.406067  1
  Sm  Sm29  1  0.105836  0.898064  0.379345  1
  Sm  Sm30  1  0.215624  0.220092  0.373953  1
  Sm  Sm31  1  0.417098  0.145818  0.393396  1
  Sm  Sm32  1  0.843277  0.796230  0.448989  1
  Sm  Sm33  1  0.133418  0.404911  0.430164  1
  Sm  Sm34  1  0.543607  0.496785  0.409863  1
  Sm  Sm35  1  0.483604  0.898568  0.329477  1
  Sm  Sm36  1  0.923166  0.512325  0.382054  1
  Sm  Sm37  1  0.857301  0.965933  0.411109  1
  Sm  Sm38  1  0.136119  0.583885  0.410155  1
  Sm  Sm39  1  0.163786  0.057722  0.385915  1
  Sm  Sm40  1  0.562516  0.059588  0.336078  1
  Sm  Sm41  1  0.828365  0.729480  0.379655  1
  Sm  Sm42  1  0.154192  0.430352  0.358219  1
  Sm  Sm43  1  0.497390  0.293595  0.416969  1
  Sm  Sm44  1  0.509419  0.727393  0.386224  1
  Sm  Sm45  1  0.854557  0.332384  0.381207  1
  Sm  Sm46  1  0.632904  0.109989  0.398891  1
  Sm  Sm47  1  0.005283  0.775234  0.398040  1
  Sm  Sm48  1  0.016464  0.211442  0.416251  1
  Sm  Sm49  1  0.363725  0.306642  0.347267  1
  Sm  Sm50  1  0.722085  0.912985  0.365601  1
  Sm  Sm51  1  0.025748  0.640389  0.341935  1
  Sm  Sm52  1  0.336373  0.497872  0.405806  1
  Sm  Sm53  1  0.326741  0.852958  0.386640  1
  Sm  Sm54  1  0.695870  0.589650  0.380413  1
  Sm  Sm55  1  0.712648  0.084108  0.464209  1
  Sm  Sm56  1  0.046639  0.728073  0.476824  1
  Sm  Sm57  1  0.115490  0.061368  0.469724  1
  Sm  Sm58  1  0.337317  0.016929  0.501722  1
  Sm  Sm59  1  0.604394  0.734560  0.493849  1
  Sm  Sm60  1  0.014033  0.271333  0.490088  1
  Sm  Sm61  1  0.310362  0.428493  0.469662  1
  Sm  Sm62  1  0.410722  0.814939  0.453157  1
  Sm  Sm63  1  0.739366  0.432225  0.427570  1
  Sm  Sm64  1  0.693855  0.903027  0.491660  1
  Sm  Sm65  1  0.987048  0.554891  0.474530  1
  Sm  Sm66  1  0.037137  0.901294  0.454190  1
  Sm  Sm67  1  0.517516  0.938407  0.397672  1
  Sm  Sm68  1  0.784548  0.610202  0.442518  1
  Sm  Sm69  1  0.195255  0.211436  0.444318  1
  Sm  Sm70  1  0.356083  0.233019  0.473424  1
  Sm  Sm71  1  0.416937  0.628231  0.461372  1
  Sm  Sm72  1  0.676671  0.288981  0.458828  1
  Sm  Sm73  1  0.517776  0.068631  0.459579  1
  Sm  Sm74  1  0.811497  0.676785  0.506608  1
  Sm  Sm75  1  0.897815  0.112040  0.473022  1
  Sm  Sm76  1  0.331811  0.025616  0.435070  1
  Sm  Sm77  1  0.648796  0.789223  0.429619  1
  Sm  Sm78  1  0.944220  0.410178  0.441443  1
  Sm  Sm79  1  0.133561  0.385313  0.499912  1
  Sm  Sm80  1  0.216843  0.727718  0.436152  1
  Sm  Sm81  1  0.499861  0.425796  0.469686  1
  Sm  Sm82  1  0.547448  0.963739  0.537678  1
  Sm  Sm83  1  0.845052  0.681047  0.576745  1
  Sm  Sm84  1  0.003959  0.953836  0.522152  1
  Sm  Sm85  1  0.222599  0.854144  0.568877  1
  Sm  Sm86  1  0.546133  0.585368  0.585616  1
  Sm  Sm87  1  0.884785  0.315272  0.588253  1
  Sm  Sm88  1  0.283800  0.276495  0.543432  1
  Sm  Sm89  1  0.266637  0.660264  0.512824  1
  Sm  Sm90  1  0.610174  0.395885  0.536349  1
  Sm  Sm91  1  0.625674  0.752708  0.562691  1
  Sm  Sm92  1  0.942707  0.458932  0.545590  1
  Sm  Sm93  1  0.915104  0.809187  0.525034  1
  Sm  Sm94  1  0.230899  0.853788  0.493057  1
  Sm  Sm95  1  0.654845  0.514040  0.483322  1
  Sm  Sm96  1  0.942591  0.156201  0.537777  1
  Sm  Sm97  1  0.294983  0.078114  0.571952  1
  Sm  Sm98  1  0.251355  0.477118  0.539457  1
  Sm  Sm99  1  0.598339  0.140254  0.525080  1
  Sm  Sm100  1  0.410529  0.837165  0.543630  1
  Sm  Sm101  1  0.733848  0.535786  0.545938  1
  Sm  Sm102  1  0.789873  0.023429  0.541341  1
  Sm  Sm103  1  0.152509  0.033341  0.537091  1
  Sm  Sm104  1  0.495336  0.630853  0.521563  1
  Sm  Sm105  1  0.814298  0.337189  0.512278  1
  Sm  Sm106  1  0.085817  0.251276  0.559118  1
  Sm  Sm107  1  0.054128  0.603547  0.536965  1
  Sm  Sm108  1  0.457481  0.320643  0.536917  1
  Sm  Sm109  1  0.548947  0.732325  0.632022  1
  Sm  Sm110  1  0.863546  0.482514  0.622470  1
  Sm  Sm111  1  0.861029  0.906956  0.591838  1
  Sm  Sm112  1  0.128411  0.795396  0.637599  1
  Sm  Sm113  1  0.555612  0.371656  0.675925  1
  Sm  Sm114  1  0.788369  0.051829  0.635454  1
  Sm  Sm115  1  0.110000  0.201864  0.636541  1
  Sm  Sm116  1  0.210990  0.472726  0.608342  1
  Sm  Sm117  1  0.474539  0.156685  0.587983  1
  Sm  Sm118  1  0.465956  0.572504  0.653641  1
  Sm  Sm119  1  0.749816  0.274778  0.639248  1
  Sm  Sm120  1  0.770924  0.686497  0.645708  1
  Sm  Sm121  1  0.186885  0.665393  0.583179  1
  Sm  Sm122  1  0.546442  0.369744  0.607941  1
  Sm  Sm123  1  0.918675  0.117550  0.601336  1
  Sm  Sm124  1  0.177095  0.976742  0.632129  1
  Sm  Sm125  1  0.243532  0.279584  0.610747  1
  Sm  Sm126  1  0.497520  0.932448  0.602563  1
  Sm  Sm127  1  0.350392  0.749926  0.624580  1
  Sm  Sm128  1  0.682679  0.496319  0.651940  1
  Sm  Sm129  1  0.695442  0.873629  0.607692  1
  Sm  Sm130  1  0.031429  0.927844  0.587904  1
  Sm  Sm131  1  0.388556  0.520337  0.582519  1
  Sm  Sm132  1  0.708242  0.217150  0.574450  1
  Sm  Sm133  1  0.993176  0.102221  0.664063  1
  Sm  Sm134  1  0.013512  0.571085  0.605832  1
  Sm  Sm135  1  0.343202  0.085643  0.639448  1
  Sm  Sm136  1  0.428032  0.721124  0.704829  1
  Sm  Sm137  1  0.721278  0.345754  0.714657  1
  Sm  Sm138  1  0.834093  0.738211  0.713015  1
  Sm  Sm139  1  0.041751  0.569424  0.725264  1
  Sm  Sm140  1  0.263744  0.337712  0.723865  1
  Sm  Sm141  1  0.611959  0.925661  0.720831  1
  Sm  Sm142  1  0.102474  0.928974  0.703663  1
  Sm  Sm143  1  0.092744  0.420000  0.667062  1
  Sm  Sm144  1  0.416068  0.107289  0.710925  1
  Sm  Sm145  1  0.397525  0.509026  0.723385  1
  Sm  Sm146  1  0.653508  0.141342  0.694967  1
  Sm  Sm147  1  0.845436  0.511183  0.700837  1
  Sm  Sm148  1  0.115196  0.615466  0.658462  1
  Sm  Sm149  1  0.436280  0.240175  0.657963  1
  Sm  Sm150  1  0.770267  0.900863  0.673272  1
  Sm  Sm151  1  0.018032  0.778255  0.703668  1
  Sm  Sm152  1  0.081477  0.256260  0.711413  1
  Sm  Sm153  1  0.426830  0.903665  0.672150  1
  Sm  Sm154  1  0.243372  0.683153  0.697110  1
  Sm  Sm155  1  0.485877  0.292627  0.730270  1
  Sm  Sm156  1  0.634983  0.694550  0.700006  1
  Sm  Sm157  1  0.926646  0.776814  0.640184  1
  Sm  Sm158  1  0.337888  0.432508  0.660459  1
  Sm  Sm159  1  0.568211  0.035227  0.651637  1
  Sm  Sm160  1  0.881064  0.986887  0.709287  1
  Sm  Sm161  1  0.913711  0.316212  0.666315  1
  Sm  Sm162  1  0.224330  0.054467  0.695858  1
  Al  Al163  1  0.753825  0.090683  0.345563  1
  Al  Al164  1  0.204727  0.801438  0.302239  1
  Al  Al165  1  0.170813  0.119611  0.326645  1
  Al  Al166  1  0.470114  0.216169  0.298943  1
  Al  Al167  1  0.871126  0.773563  0.321250  1
  Al  Al168  1  0.124023  0.499926  0.299567  1
  Al  Al169  1  0.550535  0.534082  0.292204  1
  Al  Al170  1  0.386755  0.764533  0.330602  1
  Al  Al171  1  0.819643  0.438043  0.334204  1
  Al  Al172  1  0.684963  0.947003  0.429252  1
  Al  Al173  1  0.070773  0.797948  0.330878  1
  Al  Al174  1  0.998786  0.045410  0.418037  1
  Al  Al175  1  0.344396  0.021745  0.367968  1
  Al  Al176  1  0.647673  0.773700  0.359060  1
  Al  Al177  1  0.039446  0.345864  0.382278  1
  Al  Al178  1  0.471486  0.415293  0.363730  1
  Al  Al179  1  0.373658  0.665502  0.402737  1
  Al  Al180  1  0.659826  0.325466  0.391267  1
  Al  Al181  1  0.514687  0.906722  0.474745  1
  Al  Al182  1  0.954593  0.633634  0.421356  1
  Al  Al183  1  0.863144  0.944448  0.480926  1
  Al  Al184  1  0.209007  0.915888  0.433182  1
  Al  Al185  1  0.589297  0.639726  0.438423  1
  Al  Al186  1  0.860138  0.281242  0.449581  1
  Al  Al187  1  0.307102  0.319429  0.411187  1
  Al  Al188  1  0.161993  0.560572  0.479357  1
  Al  Al189  1  0.529061  0.242718  0.477537  1
  Al  Al190  1  0.359590  0.692648  0.564567  1
  Al  Al191  1  0.841465  0.489238  0.490099  1
  Al  Al192  1  0.745351  0.849972  0.548759  1
  Al  Al193  1  0.101984  0.778253  0.535694  1
  Al  Al194  1  0.409008  0.501309  0.518233  1
  Al  Al195  1  0.746711  0.196673  0.512468  1
  Al  Al196  1  0.199413  0.181562  0.507664  1
  Al  Al197  1  0.120342  0.416145  0.564564  1
  Al  Al198  1  0.423136  0.133333  0.525978  1
  Al  Al199  1  0.282996  0.607792  0.636296  1
  Al  Al200  1  0.703279  0.420933  0.591996  1
  Al  Al201  1  0.704731  0.606591  0.602225  1
  Al  Al202  1  0.003482  0.747642  0.582507  1
  Al  Al203  1  0.380739  0.345033  0.596059  1
  Al  Al204  1  0.652551  0.050914  0.587527  1
  Al  Al205  1  0.089880  0.095982  0.590056  1
  Al  Al206  1  0.040565  0.375521  0.608644  1
  Al  Al207  1  0.339626  0.916429  0.605964  1
  Al  Al208  1  0.216728  0.510881  0.703846  1
  Al  Al209  1  0.612091  0.189579  0.629749  1
  Al  Al210  1  0.573606  0.532168  0.705390  1
  Al  Al211  1  0.944826  0.600832  0.667962  1
  Al  Al212  1  0.248296  0.234961  0.674491  1
  Al  Al213  1  0.617486  0.848518  0.662329  1
  Al  Al214  1  0.969068  0.936559  0.651389  1
  Al  Al215  1  0.822954  0.173316  0.688296  1
  Al  Al216  1  0.267408  0.849526  0.675162  1
