# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75870480
_cell_length_b   29.05200776
_cell_length_c   52.06830841
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm80 Al80'
_cell_volume   8711.1288227
_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  0.249898  0.304861  0.323560  1
  Sm  Sm2  1  0.249898  0.902939  0.278755  1
  Sm  Sm3  1  0.249898  0.109310  0.348726  1
  Sm  Sm4  1  0.249898  0.675371  0.303066  1
  Sm  Sm5  1  0.249898  0.549229  0.330203  1
  Sm  Sm6  1  0.249898  0.114960  0.283698  1
  Sm  Sm7  1  0.249898  0.412502  0.301425  1
  Sm  Sm8  1  0.249898  0.861022  0.352489  1
  Sm  Sm9  1  0.749898  0.283824  0.283294  1
  Sm  Sm10  1  0.749898  0.728564  0.325851  1
  Sm  Sm11  1  0.749898  0.038616  0.349957  1
  Sm  Sm12  1  0.749898  0.600321  0.300225  1
  Sm  Sm13  1  0.749898  0.470912  0.330393  1
  Sm  Sm14  1  0.749898  0.024534  0.284281  1
  Sm  Sm15  1  0.749898  0.274731  0.357353  1
  Sm  Sm16  1  0.749898  0.843377  0.312235  1
  Sm  Sm17  1  0.249898  0.185353  0.414905  1
  Sm  Sm18  1  0.249898  0.750010  0.365664  1
  Sm  Sm19  1  0.249898  0.988621  0.442282  1
  Sm  Sm20  1  0.249898  0.548795  0.393662  1
  Sm  Sm21  1  0.249898  0.424694  0.419844  1
  Sm  Sm22  1  0.249898  0.988980  0.377162  1
  Sm  Sm23  1  0.249898  0.297288  0.397393  1
  Sm  Sm24  1  0.249898  0.736406  0.441463  1
  Sm  Sm25  1  0.749898  0.161949  0.373683  1
  Sm  Sm26  1  0.749898  0.602429  0.416510  1
  Sm  Sm27  1  0.749898  0.914146  0.441557  1
  Sm  Sm28  1  0.749898  0.475194  0.393606  1
  Sm  Sm29  1  0.749898  0.349534  0.420044  1
  Sm  Sm30  1  0.749898  0.911927  0.377789  1
  Sm  Sm31  1  0.749898  0.152010  0.448925  1
  Sm  Sm32  1  0.749898  0.714614  0.400771  1
  Sm  Sm33  1  0.249898  0.062823  0.506145  1
  Sm  Sm34  1  0.249898  0.624341  0.457019  1
  Sm  Sm35  1  0.249898  0.865251  0.532573  1
  Sm  Sm36  1  0.249898  0.426684  0.485675  1
  Sm  Sm37  1  0.249898  0.302048  0.512363  1
  Sm  Sm38  1  0.249898  0.863621  0.467027  1
  Sm  Sm39  1  0.249898  0.174627  0.489367  1
  Sm  Sm40  1  0.249898  0.613119  0.531971  1
  Sm  Sm41  1  0.749898  0.040561  0.465866  1
  Sm  Sm42  1  0.749898  0.479053  0.508470  1
  Sm  Sm43  1  0.749898  0.790059  0.530810  1
  Sm  Sm44  1  0.749898  0.351632  0.485474  1
  Sm  Sm45  1  0.749898  0.226996  0.512162  1
  Sm  Sm46  1  0.749898  0.788429  0.465263  1
  Sm  Sm47  1  0.749898  0.029339  0.540818  1
  Sm  Sm48  1  0.749898  0.590857  0.491692  1
  Sm  Sm49  1  0.249898  0.939066  0.597066  1
  Sm  Sm50  1  0.249898  0.501670  0.548912  1
  Sm  Sm51  1  0.249898  0.741753  0.620048  1
  Sm  Sm52  1  0.249898  0.304146  0.577792  1
  Sm  Sm53  1  0.249898  0.178486  0.604231  1
  Sm  Sm54  1  0.249898  0.739534  0.556280  1
  Sm  Sm55  1  0.249898  0.051251  0.581327  1
  Sm  Sm56  1  0.249898  0.491731  0.624154  1
  Sm  Sm57  1  0.749898  0.917274  0.556374  1
  Sm  Sm58  1  0.749898  0.356392  0.600444  1
  Sm  Sm59  1  0.749898  0.664700  0.620675  1
  Sm  Sm60  1  0.749898  0.228986  0.577992  1
  Sm  Sm61  1  0.749898  0.104885  0.604175  1
  Sm  Sm62  1  0.749898  0.665059  0.555555  1
  Sm  Sm63  1  0.749898  0.903670  0.632173  1
  Sm  Sm64  1  0.749898  0.468327  0.582932  1
  Sm  Sm65  1  0.249898  0.810303  0.685602  1
  Sm  Sm66  1  0.249898  0.378949  0.640484  1
  Sm  Sm67  1  0.249898  0.629146  0.713556  1
  Sm  Sm68  1  0.249898  0.182768  0.667444  1
  Sm  Sm69  1  0.249898  0.053360  0.697611  1
  Sm  Sm70  1  0.249898  0.615065  0.647880  1
  Sm  Sm71  1  0.249898  0.925116  0.671986  1
  Sm  Sm72  1  0.249898  0.369856  0.714543  1
  Sm  Sm73  1  0.749898  0.792658  0.645348  1
  Sm  Sm74  1  0.749898  0.241178  0.696412  1
  Sm  Sm75  1  0.749898  0.538721  0.714139  1
  Sm  Sm76  1  0.749898  0.104451  0.667634  1
  Sm  Sm77  1  0.749898  0.978309  0.694771  1
  Sm  Sm78  1  0.749898  0.544370  0.649111  1
  Sm  Sm79  1  0.749898  0.750742  0.719082  1
  Sm  Sm80  1  0.749898  0.348820  0.674277  1
  Al  Al81  1  0.501676  0.201207  0.316499  1
  Al  Al82  1  0.499745  0.642814  0.356911  1
  Al  Al83  1  0.502785  0.505166  0.280803  1
  Al  Al84  1  0.510396  0.945544  0.325591  1
  Al  Al85  1  0.249898  0.216275  0.359571  1
  Al  Al86  1  0.249898  0.789465  0.307875  1
  Al  Al87  1  0.249898  0.583525  0.272842  1
  Al  Al88  1  0.249898  0.020211  0.314256  1
  Al  Al89  1  0.998120  0.201207  0.316499  1
  Al  Al90  1  0.000050  0.642814  0.356911  1
  Al  Al91  1  0.997011  0.505166  0.280803  1
  Al  Al92  1  0.989400  0.945544  0.325591  1
  Al  Al93  1  0.749898  0.121268  0.314284  1
  Al  Al94  1  0.749898  0.563014  0.359709  1
  Al  Al95  1  0.749898  0.365449  0.320023  1
  Al  Al96  1  0.749898  0.924223  0.275751  1
  Al  Al97  1  0.497813  0.080476  0.405663  1
  Al  Al98  1  0.499258  0.518116  0.448571  1
  Al  Al99  1  0.501274  0.379970  0.364908  1
  Al  Al100  1  0.500183  0.820653  0.411227  1
  Al  Al101  1  0.249898  0.095340  0.450062  1
  Al  Al102  1  0.249898  0.657944  0.401050  1
  Al  Al103  1  0.249898  0.458892  0.360501  1
  Al  Al104  1  0.249898  0.900755  0.409409  1
  Al  Al105  1  0.001982  0.080476  0.405663  1
  Al  Al106  1  0.000537  0.518116  0.448571  1
  Al  Al107  1  0.998522  0.379970  0.364908  1
  Al  Al108  1  0.999612  0.820653  0.411227  1
  Al  Al109  1  0.749898  1.001557  0.408929  1
  Al  Al110  1  0.749898  0.438369  0.451994  1
  Al  Al111  1  0.749898  0.241692  0.413084  1
  Al  Al112  1  0.749898  0.805290  0.366961  1
  Al  Al113  1  0.498835  0.956643  0.497032  1
  Al  Al114  1  0.498958  0.395226  0.540624  1
  Al  Al115  1  0.500837  0.258454  0.457213  1
  Al  Al116  1  0.500960  0.697037  0.500805  1
  Al  Al117  1  0.249898  0.972567  0.541258  1
  Al  Al118  1  0.249898  0.533995  0.492657  1
  Al  Al119  1  0.249898  0.338142  0.453652  1
  Al  Al120  1  0.249898  0.776758  0.498873  1
  Al  Al121  1  0.000960  0.956643  0.497032  1
  Al  Al122  1  0.000837  0.395226  0.540624  1
  Al  Al123  1  0.998958  0.258454  0.457213  1
  Al  Al124  1  0.998835  0.697037  0.500805  1
  Al  Al125  1  0.749898  0.876922  0.498964  1
  Al  Al126  1  0.749898  0.315538  0.544184  1
  Al  Al127  1  0.749898  0.119685  0.505180  1
  Al  Al128  1  0.749898  0.681113  0.456579  1
  Al  Al129  1  0.499612  0.833027  0.586610  1
  Al  Al130  1  0.498522  0.273710  0.632929  1
  Al  Al131  1  0.500537  0.135564  0.549266  1
  Al  Al132  1  0.501982  0.573204  0.592174  1
  Al  Al133  1  0.249898  0.848391  0.630875  1
  Al  Al134  1  0.249898  0.411988  0.584753  1
  Al  Al135  1  0.249898  0.215311  0.545843  1
  Al  Al136  1  0.249898  0.652123  0.588907  1
  Al  Al137  1  0.000183  0.833027  0.586610  1
  Al  Al138  1  0.001274  0.273710  0.632929  1
  Al  Al139  1  0.999258  0.135564  0.549266  1
  Al  Al140  1  0.997813  0.573204  0.592174  1
  Al  Al141  1  0.749898  0.752925  0.588428  1
  Al  Al142  1  0.749898  0.194788  0.637336  1
  Al  Al143  1  0.749898  0.995736  0.596787  1
  Al  Al144  1  0.749898  0.558340  0.547775  1
  Al  Al145  1  0.489400  0.708136  0.672246  1
  Al  Al146  1  0.497011  0.148514  0.717034  1
  Al  Al147  1  0.500050  0.010866  0.640925  1
  Al  Al148  1  0.498120  0.452473  0.681338  1
  Al  Al149  1  0.249898  0.729457  0.722086  1
  Al  Al150  1  0.249898  0.288231  0.677814  1
  Al  Al151  1  0.249898  0.090666  0.638128  1
  Al  Al152  1  0.249898  0.532412  0.683553  1
  Al  Al153  1  0.010396  0.708136  0.672246  1
  Al  Al154  1  0.002785  0.148514  0.717034  1
  Al  Al155  1  0.999745  0.010866  0.640925  1
  Al  Al156  1  0.001676  0.452473  0.681338  1
  Al  Al157  1  0.749898  0.633469  0.683581  1
  Al  Al158  1  0.749898  0.070155  0.724994  1
  Al  Al159  1  0.749898  0.864215  0.689962  1
  Al  Al160  1  0.749898  0.437405  0.638266  1
