# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07031478
_cell_length_b   35.13233174
_cell_length_c   50.58725669
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.50907159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm120 Al120'
_cell_volume   14251.0114107
_cell_formula_units_Z   120
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  0.726599  0.122134  0.322500  1
  Sm  Sm2  1  0.582029  0.449670  0.354764  1
  Sm  Sm3  1  0.917827  0.793479  0.294127  1
  Sm  Sm4  1  0.782437  0.222434  0.352763  1
  Sm  Sm5  1  0.229958  0.564513  0.285027  1
  Sm  Sm6  1  0.989491  0.892561  0.319765  1
  Sm  Sm7  1  0.641490  0.956776  0.284469  1
  Sm  Sm8  1  0.420732  0.289517  0.309590  1
  Sm  Sm9  1  0.333531  0.614096  0.343016  1
  Sm  Sm10  1  0.975773  0.052572  0.360717  1
  Sm  Sm11  1  0.291771  0.401664  0.303419  1
  Sm  Sm12  1  0.164212  0.721660  0.334500  1
  Sm  Sm13  1  0.067231  0.184541  0.302448  1
  Sm  Sm14  1  0.932642  0.511793  0.323312  1
  Sm  Sm15  1  0.319181  0.854562  0.274480  1
  Sm  Sm16  1  0.873198  0.287853  0.295010  1
  Sm  Sm17  1  0.792370  0.613005  0.323891  1
  Sm  Sm18  1  0.587287  0.939755  0.353877  1
  Sm  Sm19  1  0.244508  0.007490  0.312049  1
  Sm  Sm20  1  0.066600  0.341452  0.343278  1
  Sm  Sm21  1  0.471848  0.665590  0.285789  1
  Sm  Sm22  1  0.309220  0.109042  0.339517  1
  Sm  Sm23  1  0.632930  0.463792  0.282745  1
  Sm  Sm24  1  0.487046  0.775754  0.310954  1
  Sm  Sm25  1  0.244553  0.105601  0.408427  1
  Sm  Sm26  1  0.097556  0.434008  0.439065  1
  Sm  Sm27  1  0.433027  0.775964  0.381332  1
  Sm  Sm28  1  0.305877  0.208098  0.434943  1
  Sm  Sm29  1  0.680196  0.547955  0.381748  1
  Sm  Sm30  1  0.492284  0.877951  0.407606  1
  Sm  Sm31  1  0.154340  0.944103  0.370040  1
  Sm  Sm32  1  0.973382  0.276095  0.396841  1
  Sm  Sm33  1  0.848146  0.603061  0.427978  1
  Sm  Sm34  1  0.496882  0.039170  0.444807  1
  Sm  Sm35  1  0.810675  0.381751  0.389839  1
  Sm  Sm36  1  0.678033  0.709407  0.418450  1
  Sm  Sm37  1  0.576359  0.160170  0.389292  1
  Sm  Sm38  1  0.434973  0.489413  0.419744  1
  Sm  Sm39  1  0.773641  0.831807  0.361734  1
  Sm  Sm40  1  0.403200  0.270682  0.379942  1
  Sm  Sm41  1  0.282000  0.597025  0.410609  1
  Sm  Sm42  1  0.104768  0.925083  0.437390  1
  Sm  Sm43  1  0.767084  0.992521  0.399406  1
  Sm  Sm44  1  0.597589  0.321276  0.425095  1
  Sm  Sm45  1  0.949734  0.664040  0.373054  1
  Sm  Sm46  1  0.829930  0.093259  0.424427  1
  Sm  Sm47  1  0.139192  0.443685  0.369665  1
  Sm  Sm48  1  0.011993  0.764661  0.398132  1
  Sm  Sm49  1  0.767637  0.090972  0.492903  1
  Sm  Sm50  1  0.625117  0.419534  0.521472  1
  Sm  Sm51  1  0.949866  0.762288  0.466521  1
  Sm  Sm52  1  0.833768  0.192498  0.517875  1
  Sm  Sm53  1  0.176497  0.536523  0.467138  1
  Sm  Sm54  1  1.009714  0.864393  0.491926  1
  Sm  Sm55  1  0.674468  0.930788  0.453520  1
  Sm  Sm56  1  0.504294  0.259806  0.479587  1
  Sm  Sm57  1  0.371971  0.588721  0.511259  1
  Sm  Sm58  1  0.018405  0.024898  0.528995  1
  Sm  Sm59  1  0.343850  0.368085  0.471917  1
  Sm  Sm60  1  0.201311  0.696602  0.502697  1
  Sm  Sm61  1  0.098756  0.145513  0.472026  1
  Sm  Sm62  1  0.956216  0.474030  0.502806  1
  Sm  Sm63  1  0.281662  0.817217  0.445728  1
  Sm  Sm64  1  0.928096  0.253394  0.463464  1
  Sm  Sm65  1  0.795772  0.582308  0.495136  1
  Sm  Sm66  1  0.625598  0.911327  0.521203  1
  Sm  Sm67  1  0.290352  0.977722  0.482797  1
  Sm  Sm68  1  0.123570  0.305592  0.507585  1
  Sm  Sm69  1  0.466299  0.649617  0.456848  1
  Sm  Sm70  1  0.350201  0.079827  0.508202  1
  Sm  Sm71  1  0.674949  0.422581  0.453251  1
  Sm  Sm72  1  0.532430  0.751143  0.481820  1
  Sm  Sm73  1  0.288074  0.077454  0.576591  1
  Sm  Sm74  1  0.160874  0.398430  0.605058  1
  Sm  Sm75  1  0.470136  0.748856  0.550296  1
  Sm  Sm76  1  0.350333  0.178074  0.601669  1
  Sm  Sm77  1  0.702477  0.520839  0.549628  1
  Sm  Sm78  1  0.532982  0.849594  0.575317  1
  Sm  Sm79  1  0.195298  0.917032  0.537333  1
  Sm  Sm80  1  0.018067  0.245090  0.564114  1
  Sm  Sm81  1  0.896867  0.571433  0.594781  1
  Sm  Sm82  1  0.526425  0.010307  0.612990  1
  Sm  Sm83  1  0.865094  0.352702  0.554979  1
  Sm  Sm84  1  0.723707  0.681945  0.585431  1
  Sm  Sm85  1  0.622033  0.132708  0.556274  1
  Sm  Sm86  1  0.489392  0.460364  0.584884  1
  Sm  Sm87  1  0.803185  0.802945  0.529916  1
  Sm  Sm88  1  0.451921  0.239054  0.546745  1
  Sm  Sm89  1  0.326685  0.566020  0.577882  1
  Sm  Sm90  1  0.145726  0.898012  0.604683  1
  Sm  Sm91  1  0.807782  0.964164  0.567117  1
  Sm  Sm92  1  0.619870  0.294160  0.592975  1
  Sm  Sm93  1  0.994190  0.634017  0.539780  1
  Sm  Sm94  1  0.867039  0.066151  0.593391  1
  Sm  Sm95  1  0.202511  0.408107  0.535658  1
  Sm  Sm96  1  0.055513  0.736514  0.566296  1
  Sm  Sm97  1  0.813020  0.066361  0.663769  1
  Sm  Sm98  1  0.667137  0.378323  0.691978  1
  Sm  Sm99  1  0.990847  0.733073  0.635206  1
  Sm  Sm100  1  0.828218  0.176525  0.688934  1
  Sm  Sm101  1  0.233466  0.500662  0.631445  1
  Sm  Sm102  1  0.055558  0.834625  0.662674  1
  Sm  Sm103  1  0.712779  0.902360  0.620847  1
  Sm  Sm104  1  0.507696  0.229110  0.650832  1
  Sm  Sm105  1  0.426868  0.554261  0.679713  1
  Sm  Sm106  1  0.980885  0.987553  0.700243  1
  Sm  Sm107  1  0.367425  0.330322  0.651411  1
  Sm  Sm108  1  0.232835  0.657574  0.672275  1
  Sm  Sm109  1  0.135854  0.120455  0.640223  1
  Sm  Sm110  1  1.008295  0.440451  0.671304  1
  Sm  Sm111  1  0.324294  0.789543  0.614006  1
  Sm  Sm112  1  0.966535  0.228019  0.631707  1
  Sm  Sm113  1  0.879334  0.552597  0.665133  1
  Sm  Sm114  1  0.658577  0.885339  0.690254  1
  Sm  Sm115  1  0.310575  0.949554  0.654958  1
  Sm  Sm116  1  0.070108  0.277601  0.689696  1
  Sm  Sm117  1  0.517630  0.619680  0.621960  1
  Sm  Sm118  1  0.382240  0.048636  0.680596  1
  Sm  Sm119  1  0.718038  0.392445  0.619959  1
  Sm  Sm120  1  0.573467  0.719981  0.652223  1
  Al  Al121  1  0.665446  0.209222  0.295404  1
  Al  Al122  1  0.543174  0.534220  0.326018  1
  Al  Al123  1  0.381327  0.860150  0.346332  1
  Al  Al124  1  0.842323  0.037403  0.298062  1
  Al  Al125  1  0.670124  0.370582  0.321625  1
  Al  Al126  1  0.552638  0.692600  0.348573  1
  Al  Al127  1  0.431593  0.154521  0.288670  1
  Al  Al128  1  0.302861  0.485974  0.316929  1
  Al  Al129  1  0.148019  0.810040  0.341085  1
  Al  Al130  1  0.885370  0.978757  0.332416  1
  Al  Al131  1  0.708093  0.309833  0.355377  1
  Al  Al132  1  0.091596  0.651266  0.301111  1
  Al  Al133  1  0.424408  0.199555  0.334421  1
  Al  Al134  1  0.302640  0.525578  0.364240  1
  Al  Al135  1  0.631636  0.867615  0.308585  1
  Al  Al136  1  0.599758  0.030408  0.334931  1
  Al  Al137  1  0.917332  0.377247  0.284963  1
  Al  Al138  1  0.805369  0.702393  0.309716  1
  Al  Al139  1  0.127213  0.253108  0.338946  1
  Al  Al140  1  0.622264  0.566897  0.281866  1
  Al  Al141  1  0.334609  0.921437  0.312169  1
  Al  Al142  1  0.064085  0.090836  0.298057  1
  Al  Al143  1  0.907460  0.423371  0.326354  1
  Al  Al144  1  0.778769  0.746034  0.353035  1
  Al  Al145  1  0.186849  0.191752  0.373535  1
  Al  Al146  1  0.056198  0.520147  0.406689  1
  Al  Al147  1  0.894875  0.847638  0.430518  1
  Al  Al148  1  0.362521  0.022413  0.375265  1
  Al  Al149  1  0.197789  0.353915  0.403494  1
  Al  Al150  1  0.067054  0.679675  0.433734  1
  Al  Al151  1  0.959292  0.140200  0.367688  1
  Al  Al152  1  0.810557  0.467676  0.401717  1
  Al  Al153  1  0.664033  0.796944  0.426069  1
  Al  Al154  1  0.410178  0.965872  0.413991  1
  Al  Al155  1  0.239611  0.295626  0.440682  1
  Al  Al156  1  0.595649  0.635807  0.385960  1
  Al  Al157  1  0.950004  0.182707  0.414584  1
  Al  Al158  1  0.816522  0.511300  0.446959  1
  Al  Al159  1  0.136904  0.853128  0.387800  1
  Al  Al160  1  0.126203  0.016396  0.417843  1
  Al  Al161  1  0.430416  0.362947  0.361186  1
  Al  Al162  1  0.311087  0.687023  0.391243  1
  Al  Al163  1  0.666533  0.233592  0.419200  1
  Al  Al164  1  0.022871  0.575349  0.367371  1
  Al  Al165  1  0.851888  0.904518  0.392687  1
  Al  Al166  1  0.594097  0.073790  0.379901  1
  Al  Al167  1  0.433651  0.403759  0.407978  1
  Al  Al168  1  0.298456  0.730217  0.437523  1
  Al  Al169  1  0.712431  0.176369  0.456775  1
  Al  Al170  1  0.574890  0.505075  0.487842  1
  Al  Al171  1  0.414236  0.834041  0.514620  1
  Al  Al172  1  0.885830  0.008074  0.460103  1
  Al  Al173  1  0.725177  0.337040  0.486881  1
  Al  Al174  1  0.587636  0.665745  0.517948  1
  Al  Al175  1  0.479932  0.126271  0.452632  1
  Al  Al176  1  0.337892  0.454692  0.482656  1
  Al  Al177  1  0.183992  0.783708  0.510388  1
  Al  Al178  1  0.930085  0.951965  0.498238  1
  Al  Al179  1  0.761623  0.280126  0.524600  1
  Al  Al180  1  0.107333  0.623689  0.472006  1
  Al  Al181  1  0.474643  0.168095  0.498811  1
  Al  Al182  1  0.339405  0.496268  0.528950  1
  Al  Al183  1  0.654004  0.839511  0.472459  1
  Al  Al184  1  0.646062  1.002604  0.502264  1
  Al  Al185  1  0.960661  0.345847  0.445773  1
  Al  Al186  1  0.825424  0.674020  0.475912  1
  Al  Al187  1  0.192733  0.218426  0.502717  1
  Al  Al188  1  0.538444  0.561989  0.450123  1
  Al  Al189  1  0.369981  0.890150  0.476485  1
  Al  Al190  1  0.116075  0.058406  0.464335  1
  Al  Al191  1  0.962175  0.387422  0.492067  1
  Al  Al192  1  0.820135  0.715844  0.522091  1
  Al  Al193  1  0.233013  0.162440  0.540989  1
  Al  Al194  1  0.102277  0.488199  0.571229  1
  Al  Al195  1  0.937546  0.819702  0.599458  1
  Al  Al196  1  0.405191  0.994477  0.544205  1
  Al  Al197  1  0.243868  0.321967  0.568034  1
  Al  Al198  1  0.113217  0.650363  0.601188  1
  Al  Al199  1  1.001611  0.111898  0.537200  1
  Al  Al200  1  0.866416  0.438355  0.566745  1
  Al  Al201  1  0.705970  0.768325  0.594822  1
  Al  Al202  1  0.448178  0.937596  0.582036  1
  Al  Al203  1  0.277195  0.266766  0.607352  1
  Al  Al204  1  0.633533  0.608523  0.555523  1
  Al  Al205  1  0.988979  0.155092  0.583480  1
  Al  Al206  1  0.869650  0.479168  0.613537  1
  Al  Al207  1  0.173864  0.825719  0.556880  1
  Al  Al208  1  0.163162  0.988987  0.586923  1
  Al  Al209  1  0.483545  0.330815  0.527764  1
  Al  Al210  1  0.350062  0.659407  0.560139  1
  Al  Al211  1  0.704418  0.206308  0.588763  1
  Al  Al212  1  0.060455  0.546489  0.534041  1
  Al  Al213  1  0.889888  0.876243  0.560733  1
  Al  Al214  1  0.636033  0.045171  0.548654  1
  Al  Al215  1  0.489509  0.374439  0.573006  1
  Al  Al216  1  0.340775  0.701914  0.607035  1
  Al  Al217  1  0.747428  0.149515  0.626150  1
  Al  Al218  1  0.629942  0.471533  0.653098  1
  Al  Al219  1  0.457744  0.804711  0.676662  1
  Al  Al220  1  0.918739  0.981965  0.628391  1
  Al  Al221  1  0.756892  0.307894  0.648705  1
  Al  Al222  1  0.634621  0.632893  0.679319  1
  Al  Al223  1  0.521297  0.096081  0.621688  1
  Al  Al224  1  0.392607  0.418744  0.648369  1
  Al  Al225  1  0.235981  0.751279  0.676666  1
  Al  Al226  1  0.965457  0.920678  0.662554  1
  Al  Al227  1  0.677802  0.275218  0.692857  1
  Al  Al228  1  0.172854  0.589007  0.635777  1
  Al  Al229  1  0.494697  0.139722  0.665007  1
  Al  Al230  1  0.382735  0.464868  0.689760  1
  Al  Al231  1  0.700309  0.811706  0.639792  1
  Al  Al232  1  0.668430  0.974500  0.666138  1
  Al  Al233  1  0.997427  0.316537  0.610483  1
  Al  Al234  1  0.875658  0.642559  0.640302  1
  Al  Al235  1  0.208471  0.190849  0.673612  1
  Al  Al236  1  0.591974  0.532282  0.619346  1
  Al  Al237  1  0.414696  0.863357  0.642307  1
  Al  Al238  1  0.152047  0.032074  0.633638  1
  Al  Al239  1  0.997206  0.356140  0.657794  1
  Al  Al240  1  0.868473  0.687594  0.686053  1
