# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.55362741
_cell_length_b   18.42482499
_cell_length_c   50.48990682
_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   'Sm96 Al96'
_cell_volume   10747.9663619
_cell_formula_units_Z   96
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  0.496353  0.144593  0.343002  1
  Sm  Sm2  1  0.487141  0.846261  0.301881  1
  Sm  Sm3  1  0.517035  0.514262  0.272806  1
  Sm  Sm4  1  0.169587  0.074484  0.336972  1
  Sm  Sm5  1  0.182805  0.768743  0.295535  1
  Sm  Sm6  1  0.187396  0.374956  0.375457  1
  Sm  Sm7  1  0.989981  0.242295  0.351888  1
  Sm  Sm8  1  0.988028  0.927262  0.314759  1
  Sm  Sm9  1  0.993904  0.605757  0.282427  1
  Sm  Sm10  1  0.694198  0.308987  0.358371  1
  Sm  Sm11  1  0.670637  1.001957  0.322632  1
  Sm  Sm12  1  0.686066  0.694500  0.286795  1
  Sm  Sm13  1  0.346149  0.106889  0.280095  1
  Sm  Sm14  1  0.332552  0.726358  0.354758  1
  Sm  Sm15  1  0.319828  0.424515  0.316136  1
  Sm  Sm16  1  0.022275  0.189994  0.283596  1
  Sm  Sm17  1  0.021570  0.793262  0.362652  1
  Sm  Sm18  1  0.008259  0.478039  0.331369  1
  Sm  Sm19  1  0.820530  0.364503  0.293629  1
  Sm  Sm20  1  0.832264  0.035599  0.265293  1
  Sm  Sm21  1  0.831892  0.652999  0.347926  1
  Sm  Sm22  1  0.522670  0.285437  0.291600  1
  Sm  Sm23  1  0.519321  0.894569  0.371183  1
  Sm  Sm24  1  0.516607  0.583190  0.340181  1
  Sm  Sm25  1  0.492945  0.055650  0.455006  1
  Sm  Sm26  1  0.490329  0.751049  0.415499  1
  Sm  Sm27  1  0.492874  0.439287  0.385035  1
  Sm  Sm28  1  0.173679  0.989533  0.448182  1
  Sm  Sm29  1  0.169094  0.683273  0.409675  1
  Sm  Sm30  1  0.174040  0.291197  0.488303  1
  Sm  Sm31  1  0.993127  0.159455  0.465246  1
  Sm  Sm32  1  0.990810  0.855737  0.427164  1
  Sm  Sm33  1  0.992532  0.545960  0.394969  1
  Sm  Sm34  1  0.672672  0.223497  0.472709  1
  Sm  Sm35  1  0.673882  0.921653  0.432853  1
  Sm  Sm36  1  0.667210  0.613295  0.401796  1
  Sm  Sm37  1  0.338024  0.032893  0.392751  1
  Sm  Sm38  1  0.337461  0.641602  0.464495  1
  Sm  Sm39  1  0.330792  0.334441  0.433296  1
  Sm  Sm40  1  0.017649  0.098478  0.399439  1
  Sm  Sm41  1  0.017979  0.708795  0.471279  1
  Sm  Sm42  1  0.017324  0.399265  0.440246  1
  Sm  Sm43  1  0.830372  0.264954  0.416918  1
  Sm  Sm44  1  0.838961  0.964454  0.377334  1
  Sm  Sm45  1  0.837563  0.570954  0.456661  1
  Sm  Sm46  1  0.514506  0.205105  0.407776  1
  Sm  Sm47  1  0.516704  0.812853  0.481247  1
  Sm  Sm48  1  0.517592  0.503441  0.450480  1
  Sm  Sm49  1  0.493656  0.964974  0.568979  1
  Sm  Sm50  1  0.490571  0.666637  0.526276  1
  Sm  Sm51  1  0.491458  0.357225  0.495508  1
  Sm  Sm52  1  0.177791  0.905124  0.559837  1
  Sm  Sm53  1  0.170600  0.599124  0.520094  1
  Sm  Sm54  1  0.169201  0.205625  0.599421  1
  Sm  Sm55  1  0.990514  0.071600  0.577317  1
  Sm  Sm56  1  0.990839  0.770814  0.536509  1
  Sm  Sm57  1  0.990183  0.461284  0.505476  1
  Sm  Sm58  1  0.670138  0.137185  0.584004  1
  Sm  Sm59  1  0.677371  0.835638  0.543460  1
  Sm  Sm60  1  0.670702  0.528476  0.512261  1
  Sm  Sm61  1  0.335490  0.946581  0.504046  1
  Sm  Sm62  1  0.340952  0.556783  0.574959  1
  Sm  Sm63  1  0.334280  0.248426  0.543903  1
  Sm  Sm64  1  0.015035  0.010624  0.511510  1
  Sm  Sm65  1  0.015631  0.624119  0.581787  1
  Sm  Sm66  1  0.017352  0.314341  0.549591  1
  Sm  Sm67  1  0.834483  0.180545  0.528573  1
  Sm  Sm68  1  0.834123  0.878881  0.488453  1
  Sm  Sm69  1  0.839068  0.486806  0.567080  1
  Sm  Sm70  1  0.515217  0.114429  0.521750  1
  Sm  Sm71  1  0.515288  0.730792  0.591721  1
  Sm  Sm72  1  0.517833  0.419030  0.561256  1
  Sm  Sm73  1  0.485492  0.884641  0.685155  1
  Sm  Sm74  1  0.491556  0.586888  0.636574  1
  Sm  Sm75  1  0.488841  0.275509  0.605572  1
  Sm  Sm76  1  0.187632  0.805575  0.683127  1
  Sm  Sm77  1  0.176270  0.517080  0.628829  1
  Sm  Sm78  1  0.175898  0.134480  0.711462  1
  Sm  Sm79  1  0.985888  0.980085  0.693159  1
  Sm  Sm80  1  0.999904  0.692040  0.645387  1
  Sm  Sm81  1  0.986593  0.376817  0.614104  1
  Sm  Sm82  1  0.662013  0.063189  0.696661  1
  Sm  Sm83  1  0.688334  0.745563  0.660619  1
  Sm  Sm84  1  0.675611  0.443720  0.621997  1
  Sm  Sm85  1  0.313965  0.861091  0.618384  1
  Sm  Sm86  1  0.322096  0.475579  0.689960  1
  Sm  Sm87  1  0.337525  0.168121  0.654123  1
  Sm  Sm88  1  0.018182  0.927783  0.624868  1
  Sm  Sm89  1  0.014258  0.564321  0.694328  1
  Sm  Sm90  1  0.020134  0.242816  0.661996  1
  Sm  Sm91  1  0.838576  0.095595  0.639783  1
  Sm  Sm92  1  0.820766  0.795122  0.601299  1
  Sm  Sm93  1  0.825357  0.401335  0.681221  1
  Sm  Sm94  1  0.511810  0.025485  0.633754  1
  Sm  Sm95  1  0.491128  0.655816  0.703949  1
  Sm  Sm96  1  0.521021  0.323818  0.674874  1
  Al  Al97  1  0.260405  0.281842  0.274571  1
  Al  Al98  1  0.252919  0.890272  0.343901  1
  Al  Al99  1  0.255558  0.589327  0.310093  1
  Al  Al100  1  0.760583  0.141637  0.370286  1
  Al  Al101  1  0.756419  0.834328  0.336156  1
  Al  Al102  1  0.754386  0.532164  0.306138  1
  Al  Al103  1  0.423283  0.302624  0.355394  1
  Al  Al104  1  0.405293  0.995749  0.328572  1
  Al  Al105  1  0.422421  0.681706  0.295100  1
  Al  Al106  1  0.908918  0.083657  0.330304  1
  Al  Al107  1  0.919904  0.762716  0.304927  1
  Al  Al108  1  0.918869  0.387073  0.379413  1
  Al  Al109  1  0.257984  0.237118  0.325303  1
  Al  Al110  1  0.252925  0.939608  0.292769  1
  Al  Al111  1  0.251952  0.543171  0.364039  1
  Al  Al112  1  0.761929  0.190829  0.314839  1
  Al  Al113  1  0.760152  0.870377  0.283789  1
  Al  Al114  1  0.751860  0.486278  0.359189  1
  Al  Al115  1  0.094511  0.338318  0.308151  1
  Al  Al116  1  0.098633  0.034994  0.275700  1
  Al  Al117  1  0.094910  0.643927  0.343287  1
  Al  Al118  1  0.609711  0.123121  0.283109  1
  Al  Al119  1  0.595636  0.737702  0.350856  1
  Al  Al120  1  0.589215  0.426386  0.323812  1
  Al  Al121  1  0.257188  0.200426  0.379996  1
  Al  Al122  1  0.252821  0.807782  0.453330  1
  Al  Al123  1  0.253542  0.499605  0.419884  1
  Al  Al124  1  0.756217  0.058885  0.484038  1
  Al  Al125  1  0.753490  0.754999  0.445971  1
  Al  Al126  1  0.756367  0.446967  0.413588  1
  Al  Al127  1  0.407363  0.210849  0.473816  1
  Al  Al128  1  0.407486  0.908528  0.434854  1
  Al  Al129  1  0.403447  0.599742  0.400282  1
  Al  Al130  1  0.907339  1.003267  0.446819  1
  Al  Al131  1  0.903830  0.696214  0.410461  1
  Al  Al132  1  0.906258  0.304292  0.486572  1
  Al  Al133  1  0.255644  0.155713  0.436479  1
  Al  Al134  1  0.256053  0.850879  0.398638  1
  Al  Al135  1  0.254344  0.458276  0.475621  1
  Al  Al136  1  0.750773  0.101512  0.427597  1
  Al  Al137  1  0.751050  0.794918  0.390154  1
  Al  Al138  1  0.752149  0.405043  0.468392  1
  Al  Al139  1  0.098586  0.255256  0.416169  1
  Al  Al140  1  0.103221  0.951384  0.379520  1
  Al  Al141  1  0.102576  0.557954  0.456001  1
  Al  Al142  1  0.602724  0.045172  0.389895  1
  Al  Al143  1  0.602336  0.654244  0.465372  1
  Al  Al144  1  0.599367  0.347098  0.432042  1
  Al  Al145  1  0.251946  0.111193  0.492718  1
  Al  Al146  1  0.251795  0.723111  0.563168  1
  Al  Al147  1  0.254672  0.415079  0.530784  1
  Al  Al148  1  0.750975  0.969652  0.596760  1
  Al  Al149  1  0.754620  0.670473  0.556872  1
  Al  Al150  1  0.755341  0.362296  0.523426  1
  Al  Al151  1  0.405438  0.124907  0.586861  1
  Al  Al152  1  0.408796  0.822981  0.544714  1
  Al  Al153  1  0.405826  0.515835  0.511383  1
  Al  Al154  1  0.909576  0.914822  0.560587  1
  Al  Al155  1  0.905587  0.612124  0.520754  1
  Al  Al156  1  0.904942  0.218694  0.597236  1
  Al  Al157  1  0.257390  0.068566  0.549159  1
  Al  Al158  1  0.256013  0.765036  0.508364  1
  Al  Al159  1  0.257112  0.375160  0.586601  1
  Al  Al160  1  0.752518  0.014365  0.540276  1
  Al  Al161  1  0.753819  0.711802  0.501135  1
  Al  Al162  1  0.752110  0.319199  0.578118  1
  Al  Al163  1  0.100823  0.166812  0.529936  1
  Al  Al164  1  0.101904  0.865787  0.490184  1
  Al  Al165  1  0.104332  0.473864  0.566295  1
  Al  Al166  1  0.600799  0.959230  0.502939  1
  Al  Al167  1  0.604715  0.570336  0.576474  1
  Al  Al168  1  0.600677  0.261550  0.541901  1
  Al  Al169  1  0.247579  0.028441  0.606470  1
  Al  Al170  1  0.253776  0.637915  0.670618  1
  Al  Al171  1  0.251743  0.335751  0.640600  1
  Al  Al172  1  0.747757  0.888236  0.702185  1
  Al  Al173  1  0.752605  0.580751  0.666662  1
  Al  Al174  1  0.755243  0.279806  0.632854  1
  Al  Al175  1  0.398452  0.046957  0.693646  1
  Al  Al176  1  0.418948  0.743692  0.652943  1
  Al  Al177  1  0.412526  0.432377  0.625899  1
  Al  Al178  1  0.913652  0.831760  0.668605  1
  Al  Al179  1  0.913253  0.526152  0.633468  1
  Al  Al180  1  0.909530  0.135084  0.701056  1
  Al  Al181  1  0.246233  0.979249  0.661916  1
  Al  Al182  1  0.256302  0.683800  0.617566  1
  Al  Al183  1  0.248011  0.299702  0.692966  1
  Al  Al184  1  0.750178  0.932960  0.651452  1
  Al  Al185  1  0.756210  0.626908  0.612717  1
  Al  Al186  1  0.755238  0.230470  0.683986  1
  Al  Al187  1  0.099244  0.086422  0.646452  1
  Al  Al188  1  0.089293  0.783005  0.597342  1
  Al  Al189  1  0.088259  0.407363  0.671828  1
  Al  Al190  1  0.584879  0.867454  0.621362  1
  Al  Al191  1  0.585742  0.488372  0.681655  1
  Al  Al192  1  0.602869  0.174330  0.648183  1
