# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95136447
_cell_length_b   23.69330010
_cell_length_c   50.59539348
_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   'Sm64 Al64'
_cell_volume   7134.32814449
_cell_formula_units_Z   64
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  0.776422  0.098773  0.277324  1
  Sm  Sm2  1  0.627416  0.592274  0.325747  1
  Sm  Sm3  1  0.927161  0.255813  0.290208  1
  Sm  Sm4  1  0.878869  0.733018  0.351695  1
  Sm  Sm5  1  0.355583  0.824590  0.360757  1
  Sm  Sm6  1  0.402081  0.351485  0.298493  1
  Sm  Sm7  1  0.131878  0.972652  0.375561  1
  Sm  Sm8  1  0.146683  0.502647  0.312027  1
  Sm  Sm9  1  0.913843  0.160887  0.341940  1
  Sm  Sm10  1  0.011714  0.674446  0.287181  1
  Sm  Sm11  1  0.690977  0.309189  0.357817  1
  Sm  Sm12  1  0.630332  0.833702  0.297288  1
  Sm  Sm13  1  0.109821  0.932317  0.305656  1
  Sm  Sm14  1  0.155950  0.399054  0.365660  1
  Sm  Sm15  1  0.353693  0.074308  0.328644  1
  Sm  Sm16  1  0.380088  0.544168  0.384896  1
  Sm  Sm17  1  0.674867  0.059095  0.388446  1
  Sm  Sm18  1  0.675221  0.530998  0.443632  1
  Sm  Sm19  1  0.893925  0.209592  0.405584  1
  Sm  Sm20  1  0.889460  0.682492  0.462146  1
  Sm  Sm21  1  0.336683  0.768071  0.469616  1
  Sm  Sm22  1  0.341269  0.295552  0.413066  1
  Sm  Sm23  1  0.118303  0.919628  0.486276  1
  Sm  Sm24  1  0.123567  0.448987  0.429103  1
  Sm  Sm25  1  0.886985  0.104040  0.452407  1
  Sm  Sm26  1  0.894450  0.629356  0.398905  1
  Sm  Sm27  1  0.670829  0.255418  0.468733  1
  Sm  Sm28  1  0.681440  0.782703  0.413706  1
  Sm  Sm29  1  0.123693  0.868885  0.421658  1
  Sm  Sm30  1  0.121110  0.341472  0.476746  1
  Sm  Sm31  1  0.335882  0.019781  0.440915  1
  Sm  Sm32  1  0.330432  0.490642  0.495801  1
  Sm  Sm33  1  0.669437  1.004074  0.498443  1
  Sm  Sm34  1  0.663986  0.474935  0.553329  1
  Sm  Sm35  1  0.878759  0.153244  0.517498  1
  Sm  Sm36  1  0.876176  0.625832  0.572587  1
  Sm  Sm37  1  0.318428  0.712013  0.580538  1
  Sm  Sm38  1  0.329039  0.239298  0.525511  1
  Sm  Sm39  1  0.105419  0.865361  0.595339  1
  Sm  Sm40  1  0.112884  0.390676  0.541838  1
  Sm  Sm41  1  0.876302  0.045730  0.565141  1
  Sm  Sm42  1  0.881565  0.575088  0.507968  1
  Sm  Sm43  1  0.658600  0.199164  0.581178  1
  Sm  Sm44  1  0.663185  0.726646  0.524629  1
  Sm  Sm45  1  0.110409  0.812224  0.532098  1
  Sm  Sm46  1  0.105943  0.285125  0.588660  1
  Sm  Sm47  1  0.324648  0.963718  0.550612  1
  Sm  Sm48  1  0.325001  0.435621  0.605799  1
  Sm  Sm49  1  0.619781  0.950548  0.609348  1
  Sm  Sm50  1  0.646175  0.420409  0.665600  1
  Sm  Sm51  1  0.843918  0.095663  0.628584  1
  Sm  Sm52  1  0.890048  0.562400  0.688588  1
  Sm  Sm53  1  0.369537  0.661014  0.696956  1
  Sm  Sm54  1  0.308892  0.185527  0.636427  1
  Sm  Sm55  1  0.988154  0.820270  0.707064  1
  Sm  Sm56  1  0.086025  0.333829  0.652305  1
  Sm  Sm57  1  0.853185  0.992069  0.682217  1
  Sm  Sm58  1  0.867990  0.522064  0.618683  1
  Sm  Sm59  1  0.597787  0.143231  0.695752  1
  Sm  Sm60  1  0.644285  0.670126  0.633488  1
  Sm  Sm61  1  0.120999  0.761699  0.642550  1
  Sm  Sm62  1  0.072707  0.238903  0.704036  1
  Sm  Sm63  1  0.372453  0.902442  0.668497  1
  Sm  Sm64  1  0.223446  0.395943  0.716921  1
  Al  Al65  1  0.425510  0.185075  0.371900  1
  Al  Al66  1  0.416254  0.715432  0.321610  1
  Al  Al67  1  0.588913  0.946022  0.344054  1
  Al  Al68  1  0.648079  0.474893  0.291249  1
  Al  Al69  1  0.255980  0.149453  0.280585  1
  Al  Al70  1  0.126021  0.617381  0.342740  1
  Al  Al71  1  0.867698  0.861965  0.358035  1
  Al  Al72  1  0.905444  0.382433  0.311930  1
  Al  Al73  1  0.453665  0.213101  0.317243  1
  Al  Al74  1  0.412829  0.681904  0.373962  1
  Al  Al75  1  0.601285  0.975378  0.292015  1
  Al  Al76  1  0.618788  0.447992  0.342938  1
  Al  Al77  1  0.179043  0.274439  0.349397  1
  Al  Al78  1  0.122815  0.799544  0.307199  1
  Al  Al79  1  0.857670  0.034069  0.330558  1
  Al  Al80  1  0.889535  0.513212  0.372739  1
  Al  Al81  1  0.413955  0.129444  0.484035  1
  Al  Al82  1  0.420740  0.656729  0.428918  1
  Al  Al83  1  0.590162  0.894141  0.454918  1
  Al  Al84  1  0.622356  0.424129  0.398022  1
  Al  Al85  1  0.164957  0.098579  0.391454  1
  Al  Al86  1  0.161733  0.571301  0.447764  1
  Al  Al87  1  0.848999  0.808674  0.474301  1
  Al  Al88  1  0.857705  0.336515  0.418163  1
  Al  Al89  1  0.416375  0.157568  0.428113  1
  Al  Al90  1  0.413543  0.629073  0.484142  1
  Al  Al91  1  0.609658  0.919908  0.398847  1
  Al  Al92  1  0.592809  0.393261  0.454063  1
  Al  Al93  1  0.157515  0.214952  0.464289  1
  Al  Al94  1  0.164577  0.742475  0.409233  1
  Al  Al95  1  0.851428  0.979026  0.435554  1
  Al  Al96  1  0.845850  0.450558  0.490642  1
  Al  Al97  1  0.377512  0.070587  0.596223  1
  Al  Al98  1  0.409707  0.600576  0.539326  1
  Al  Al99  1  0.579129  0.837987  0.565326  1
  Al  Al100  1  0.585913  0.365272  0.510209  1
  Al  Al101  1  0.154019  0.044158  0.503602  1
  Al  Al102  1  0.148440  0.515690  0.558690  1
  Al  Al103  1  0.835292  0.752241  0.585011  1
  Al  Al104  1  0.842354  0.279764  0.529955  1
  Al  Al105  1  0.407060  0.101455  0.540181  1
  Al  Al106  1  0.390211  0.574808  0.595397  1
  Al  Al107  1  0.586326  0.865643  0.510103  1
  Al  Al108  1  0.583494  0.337148  0.566132  1
  Al  Al109  1  0.142164  0.158201  0.576081  1
  Al  Al110  1  0.150869  0.686043  0.519943  1
  Al  Al111  1  0.838135  0.923415  0.546480  1
  Al  Al112  1  0.834912  0.396137  0.602790  1
  Al  Al113  1  0.351789  0.019823  0.702995  1
  Al  Al114  1  0.410956  0.548695  0.650191  1
  Al  Al115  1  0.583614  0.779285  0.672634  1
  Al  Al116  1  0.574358  0.309641  0.622345  1
  Al  Al117  1  0.110334  0.981504  0.621506  1
  Al  Al118  1  0.142199  0.460648  0.663686  1
  Al  Al119  1  0.877053  0.695172  0.687045  1
  Al  Al120  1  0.820825  0.220277  0.644847  1
  Al  Al121  1  0.381080  0.046724  0.651306  1
  Al  Al122  1  0.398584  0.519338  0.702229  1
  Al  Al123  1  0.587040  0.812813  0.620282  1
  Al  Al124  1  0.546203  0.281615  0.677001  1
  Al  Al125  1  0.094425  0.112283  0.682314  1
  Al  Al126  1  0.132171  0.632751  0.636209  1
  Al  Al127  1  0.873847  0.877336  0.651505  1
  Al  Al128  1  0.743889  0.345263  0.713660  1
