# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.16263250
_cell_length_b   12.91877977
_cell_length_c   52.36780414
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.87353694
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm80 Al80'
_cell_volume   8737.51159631
_cell_formula_units_Z   80
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  0.758139  0.922584  0.322881  1
  Sm  Sm2  1  0.333808  0.014134  0.275851  1
  Sm  Sm3  1  0.954461  0.326165  0.271255  1
  Sm  Sm4  1  0.384012  0.252267  0.311958  1
  Sm  Sm5  1  0.539902  0.362101  0.355990  1
  Sm  Sm6  1  0.123262  0.454891  0.307621  1
  Sm  Sm7  1  0.568569  0.806030  0.281047  1
  Sm  Sm8  1  0.990266  0.728401  0.325339  1
  Sm  Sm9  1  0.898093  0.110331  0.302230  1
  Sm  Sm10  1  0.326000  0.039525  0.347778  1
  Sm  Sm11  1  0.758721  0.397751  0.320711  1
  Sm  Sm12  1  0.337923  0.506135  0.272660  1
  Sm  Sm13  1  0.508689  0.591582  0.314215  1
  Sm  Sm14  1  0.929377  0.511020  0.358197  1
  Sm  Sm15  1  0.550315  0.840034  0.354049  1
  Sm  Sm16  1  0.129820  0.927457  0.305803  1
  Sm  Sm17  1  0.606113  0.754613  0.416131  1
  Sm  Sm18  1  0.186756  0.840454  0.368596  1
  Sm  Sm19  1  0.804642  0.168139  0.363492  1
  Sm  Sm20  1  0.225606  0.089957  0.407777  1
  Sm  Sm21  1  0.385517  0.199895  0.446380  1
  Sm  Sm22  1  0.966921  0.284488  0.399290  1
  Sm  Sm23  1  0.402867  0.647808  0.374562  1
  Sm  Sm24  1  0.825746  0.568772  0.418631  1
  Sm  Sm25  1  0.751111  0.948401  0.394137  1
  Sm  Sm26  1  0.173752  0.868399  0.438229  1
  Sm  Sm27  1  0.609491  0.232310  0.413299  1
  Sm  Sm28  1  0.190430  0.318206  0.365175  1
  Sm  Sm29  1  0.347870  0.429368  0.405369  1
  Sm  Sm30  1  0.771988  0.347784  0.449235  1
  Sm  Sm31  1  0.389401  0.678429  0.443863  1
  Sm  Sm32  1  0.972618  0.761807  0.396687  1
  Sm  Sm33  1  0.448890  0.590319  0.506774  1
  Sm  Sm34  1  0.030009  0.674284  0.459920  1
  Sm  Sm35  1  0.646890  0.005042  0.454407  1
  Sm  Sm36  1  0.070026  0.924030  0.498870  1
  Sm  Sm37  1  0.228469  0.035180  0.537261  1
  Sm  Sm38  1  0.809371  0.119651  0.490399  1
  Sm  Sm39  1  0.244982  0.484967  0.465463  1
  Sm  Sm40  1  0.667996  0.403798  0.509888  1
  Sm  Sm41  1  0.593907  0.784005  0.484767  1
  Sm  Sm42  1  0.016921  0.702836  0.529192  1
  Sm  Sm43  1  0.452532  0.068152  0.504257  1
  Sm  Sm44  1  0.033434  0.152624  0.457394  1
  Sm  Sm45  1  0.191877  0.263773  0.495786  1
  Sm  Sm46  1  0.615013  0.182761  0.540248  1
  Sm  Sm47  1  0.231894  0.513519  0.534735  1
  Sm  Sm48  1  0.813013  0.597484  0.487882  1
  Sm  Sm49  1  0.289285  0.425996  0.597968  1
  Sm  Sm50  1  0.872502  0.509374  0.550793  1
  Sm  Sm51  1  0.489916  0.840019  0.545421  1
  Sm  Sm52  1  0.914033  0.758435  0.589287  1
  Sm  Sm53  1  0.071473  0.869597  0.629480  1
  Sm  Sm54  1  0.652412  0.955493  0.581357  1
  Sm  Sm55  1  0.088151  0.319404  0.556427  1
  Sm  Sm56  1  0.510792  0.239402  0.600519  1
  Sm  Sm57  1  0.436157  0.619031  0.576025  1
  Sm  Sm58  1  0.859036  0.539995  0.620094  1
  Sm  Sm59  1  0.294982  0.903315  0.595365  1
  Sm  Sm60  1  0.876386  0.987908  0.548275  1
  Sm  Sm61  1  0.036298  0.097846  0.586878  1
  Sm  Sm62  1  0.457261  0.019664  0.631164  1
  Sm  Sm63  1  0.075148  0.347349  0.626060  1
  Sm  Sm64  1  0.655790  0.433190  0.578524  1
  Sm  Sm65  1  0.132083  0.260346  0.688853  1
  Sm  Sm66  1  0.711588  0.347769  0.640607  1
  Sm  Sm67  1  0.332526  0.676783  0.636459  1
  Sm  Sm68  1  0.753214  0.596221  0.680441  1
  Sm  Sm69  1  0.923980  0.681668  0.721995  1
  Sm  Sm70  1  0.503182  0.790052  0.673945  1
  Sm  Sm71  1  0.935903  0.148278  0.646877  1
  Sm  Sm72  1  0.363810  0.077472  0.692426  1
  Sm  Sm73  1  0.271637  0.459402  0.669316  1
  Sm  Sm74  1  0.693334  0.381773  0.713609  1
  Sm  Sm75  1  0.138641  0.732912  0.687034  1
  Sm  Sm76  1  0.722001  0.825702  0.638666  1
  Sm  Sm77  1  0.877891  0.935536  0.682698  1
  Sm  Sm78  1  0.307442  0.861638  0.723400  1
  Sm  Sm79  1  0.928096  0.173669  0.718804  1
  Sm  Sm80  1  0.503764  0.265219  0.671775  1
  Al  Al81  1  0.649942  0.179589  0.314489  1
  Al  Al82  1  0.075292  0.099694  0.355319  1
  Al  Al83  1  0.813703  0.742283  0.279883  1
  Al  Al84  1  0.241066  0.670058  0.320167  1
  Al  Al85  1  0.523060  0.019567  0.311274  1
  Al  Al86  1  0.953425  0.947262  0.352895  1
  Al  Al87  1  0.896193  0.546957  0.297448  1
  Al  Al88  1  0.328721  0.475083  0.338363  1
  Al  Al89  1  0.576381  0.095154  0.357599  1
  Al  Al90  1  0.150704  0.184077  0.309223  1
  Al  Al91  1  0.730826  0.664152  0.321891  1
  Al  Al92  1  0.327294  0.755620  0.276910  1
  Al  Al93  1  0.555706  0.365912  0.292259  1
  Al  Al94  1  0.982009  0.289193  0.334790  1
  Al  Al95  1  0.935758  0.884446  0.278711  1
  Al  Al96  1  0.363990  0.822134  0.322887  1
  Al  Al97  1  0.498439  0.016567  0.402739  1
  Al  Al98  1  0.923214  0.933867  0.447206  1
  Al  Al99  1  0.654658  0.583122  0.366036  1
  Al  Al100  1  0.076624  0.501720  0.409683  1
  Al  Al101  1  0.375676  0.868874  0.399620  1
  Al  Al102  1  0.799418  0.786691  0.444787  1
  Al  Al103  1  0.747047  0.393075  0.385112  1
  Al  Al104  1  0.169215  0.313249  0.430605  1
  Al  Al105  1  0.421044  0.932886  0.447929  1
  Al  Al106  1  1.000087  0.016090  0.401131  1
  Al  Al107  1  0.575945  0.499497  0.410992  1
  Al  Al108  1  0.157649  0.583364  0.364408  1
  Al  Al109  1  0.405719  0.207014  0.381557  1
  Al  Al110  1  0.829841  0.123303  0.426944  1
  Al  Al111  1  0.782786  0.732526  0.367379  1
  Al  Al112  1  0.200276  0.649350  0.412719  1
  Al  Al113  1  0.343132  0.851164  0.493739  1
  Al  Al114  1  0.765612  0.769268  0.538234  1
  Al  Al115  1  0.496291  0.418535  0.456422  1
  Al  Al116  1  0.918772  0.336639  0.500916  1
  Al  Al117  1  0.219309  0.704255  0.490835  1
  Al  Al118  1  0.641402  0.622353  0.535783  1
  Al  Al119  1  0.589561  0.229486  0.476866  1
  Al  Al120  1  0.011925  0.147807  0.521812  1
  Al  Al121  1  0.264229  0.767928  0.539099  1
  Al  Al122  1  0.844127  0.851771  0.492709  1
  Al  Al123  1  0.417776  0.336032  0.501947  1
  Al  Al124  1  0.997675  0.419875  0.455556  1
  Al  Al125  1  0.249978  0.039996  0.472844  1
  Al  Al126  1  0.672342  0.958317  0.517790  1
  Al  Al127  1  0.620501  0.565450  0.458873  1
  Al  Al128  1  0.042594  0.483548  0.503820  1
  Al  Al129  1  0.185279  0.686083  0.584972  1
  Al  Al130  1  0.607245  0.604681  0.628619  1
  Al  Al131  1  0.338689  0.253936  0.547450  1
  Al  Al132  1  0.763464  0.171236  0.591917  1
  Al  Al133  1  0.061627  0.538453  0.581937  1
  Al  Al134  1  0.479117  0.455277  0.627277  1
  Al  Al135  1  0.432062  0.064500  0.567711  1
  Al  Al136  1  0.856184  0.980789  0.613099  1
  Al  Al137  1  0.104254  0.604439  0.630247  1
  Al  Al138  1  0.685958  0.688307  0.583663  1
  Al  Al139  1  0.261816  0.171713  0.593524  1
  Al  Al140  1  0.840859  0.254917  0.546727  1
  Al  Al141  1  0.092688  0.874554  0.564050  1
  Al  Al142  1  0.514856  0.794728  0.609544  1
  Al  Al143  1  0.462485  0.401112  0.549869  1
  Al  Al144  1  0.886227  0.318929  0.595036  1
  Al  Al145  1  0.020837  0.517745  0.674489  1
  Al  Al146  1  0.448200  0.445520  0.714773  1
  Al  Al147  1  0.186611  0.088109  0.639337  1
  Al  Al148  1  0.611961  0.008214  0.680167  1
  Al  Al149  1  0.897913  0.365669  0.671768  1
  Al  Al150  1  0.326145  0.303357  0.715945  1
  Al  Al151  1  0.279894  0.898610  0.659865  1
  Al  Al152  1  0.706197  0.821891  0.702397  1
  Al  Al153  1  0.934610  0.432183  0.717746  1
  Al  Al154  1  0.531077  0.523651  0.672765  1
  Al  Al155  1  0.111199  0.003726  0.685433  1
  Al  Al156  1  0.685522  0.092649  0.637056  1
  Al  Al157  1  0.933182  0.712720  0.656293  1
  Al  Al158  1  0.365710  0.640846  0.697208  1
  Al  Al159  1  0.308478  0.240541  0.641761  1
  Al  Al160  1  0.738843  0.168236  0.683382  1
