# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.68692300
_cell_length_b   22.14975684
_cell_length_c   48.30285890
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm144 Al144'
_cell_volume   13363.2378807
_cell_formula_units_Z   144
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  0.877678  0.488732  0.220042  1
  Sm  Sm2  1  0.354819  0.345517  0.286806  1
  Sm  Sm3  1  0.418730  0.505409  0.238747  1
  Sm  Sm4  1  0.880175  0.989314  0.219858  1
  Sm  Sm5  1  0.755064  0.169458  0.238393  1
  Sm  Sm6  1  0.813169  0.329313  0.265703  1
  Sm  Sm7  1  0.215556  0.156851  0.220073  1
  Sm  Sm8  1  0.089351  0.336756  0.238521  1
  Sm  Sm9  1  0.144740  0.496906  0.266085  1
  Sm  Sm10  1  0.545863  0.822442  0.219910  1
  Sm  Sm11  1  0.420776  0.003628  0.238269  1
  Sm  Sm12  1  0.479568  0.160576  0.266508  1
  Sm  Sm13  1  0.753395  0.670404  0.238344  1
  Sm  Sm14  1  0.813025  0.829509  0.265789  1
  Sm  Sm15  1  0.211726  0.655902  0.219976  1
  Sm  Sm16  1  0.086930  0.836947  0.238284  1
  Sm  Sm17  1  0.146598  0.996049  0.265756  1
  Sm  Sm18  1  0.479241  0.663045  0.265767  1
  Sm  Sm19  1  0.687861  0.511294  0.286116  1
  Sm  Sm20  1  0.349311  0.341772  0.363337  1
  Sm  Sm21  1  0.414743  0.502050  0.315234  1
  Sm  Sm22  1  0.689371  0.011871  0.286294  1
  Sm  Sm23  1  0.747215  0.169675  0.314619  1
  Sm  Sm24  1  0.623784  0.351028  0.334182  1
  Sm  Sm25  1  0.023082  0.178199  0.286511  1
  Sm  Sm26  1  0.081988  0.335304  0.315248  1
  Sm  Sm27  1  0.957036  0.517830  0.335059  1
  Sm  Sm28  1  0.355542  0.845222  0.286304  1
  Sm  Sm29  1  0.415324  1.001751  0.315356  1
  Sm  Sm30  1  0.291618  0.184553  0.335109  1
  Sm  Sm31  1  0.747980  0.668564  0.315267  1
  Sm  Sm32  1  0.624158  0.851191  0.335097  1
  Sm  Sm33  1  0.021553  0.678500  0.286338  1
  Sm  Sm34  1  0.081571  0.835331  0.315280  1
  Sm  Sm35  1  0.957304  0.018018  0.335024  1
  Sm  Sm36  1  0.290606  0.684760  0.335119  1
  Sm  Sm37  1  0.682040  0.508456  0.363273  1
  Sm  Sm38  1  0.158752  0.364195  0.431910  1
  Sm  Sm39  1  0.224805  0.524572  0.383368  1
  Sm  Sm40  1  0.682552  0.008391  0.363509  1
  Sm  Sm41  1  0.558080  0.191408  0.383190  1
  Sm  Sm42  1  0.616377  0.347931  0.411849  1
  Sm  Sm43  1  0.015489  0.175337  0.363391  1
  Sm  Sm44  1  0.891387  0.357903  0.383145  1
  Sm  Sm45  1  0.949684  0.514555  0.412166  1
  Sm  Sm46  1  0.348808  0.841930  0.363504  1
  Sm  Sm47  1  0.224939  0.024516  0.383397  1
  Sm  Sm48  1  0.283079  0.181248  0.412159  1
  Sm  Sm49  1  0.557987  0.691189  0.383313  1
  Sm  Sm50  1  0.616354  0.847826  0.412236  1
  Sm  Sm51  1  0.015335  0.675253  0.363534  1
  Sm  Sm52  1  0.891335  0.857892  0.383350  1
  Sm  Sm53  1  0.949380  0.014813  0.412043  1
  Sm  Sm54  1  0.282899  0.681272  0.412166  1
  Sm  Sm55  1  0.491901  0.530866  0.431810  1
  Sm  Sm56  1  0.150523  0.360492  0.509219  1
  Sm  Sm57  1  0.216810  0.520903  0.460605  1
  Sm  Sm58  1  0.492057  0.030848  0.432014  1
  Sm  Sm59  1  0.550044  0.187583  0.460561  1
  Sm  Sm60  1  0.425653  0.370563  0.480381  1
  Sm  Sm61  1  0.825151  0.197683  0.431694  1
  Sm  Sm62  1  0.883375  0.354328  0.460508  1
  Sm  Sm63  1  0.758954  0.537164  0.480359  1
  Sm  Sm64  1  0.158444  0.864309  0.431912  1
  Sm  Sm65  1  0.216612  0.020991  0.460621  1
  Sm  Sm66  1  0.092346  0.203899  0.480378  1
  Sm  Sm67  1  0.549989  0.687626  0.460567  1
  Sm  Sm68  1  0.425665  0.870508  0.480482  1
  Sm  Sm69  1  0.825204  0.697465  0.431971  1
  Sm  Sm70  1  0.883357  0.854269  0.460627  1
  Sm  Sm71  1  0.758896  0.037299  0.480359  1
  Sm  Sm72  1  0.092242  0.703877  0.480446  1
  Sm  Sm73  1  0.483736  0.527204  0.509062  1
  Sm  Sm74  1  0.959808  0.383111  0.577428  1
  Sm  Sm75  1  0.026084  0.543386  0.529072  1
  Sm  Sm76  1  0.483790  0.027127  0.509261  1
  Sm  Sm77  1  0.359459  0.210093  0.529045  1
  Sm  Sm78  1  0.417500  0.366795  0.557699  1
  Sm  Sm79  1  0.817024  0.193903  0.509062  1
  Sm  Sm80  1  0.692663  0.376834  0.528822  1
  Sm  Sm81  1  0.750691  0.533637  0.557593  1
  Sm  Sm82  1  0.150282  0.860621  0.509155  1
  Sm  Sm83  1  0.025985  0.043488  0.528948  1
  Sm  Sm84  1  0.084184  0.200159  0.557666  1
  Sm  Sm85  1  0.359175  0.710253  0.528931  1
  Sm  Sm86  1  0.417471  0.866813  0.557765  1
  Sm  Sm87  1  0.817179  0.693785  0.509261  1
  Sm  Sm88  1  0.692723  0.876732  0.529084  1
  Sm  Sm89  1  0.750764  0.033460  0.557691  1
  Sm  Sm90  1  0.084177  0.700142  0.557721  1
  Sm  Sm91  1  0.292965  0.549813  0.577479  1
  Sm  Sm92  1  0.951893  0.379887  0.654422  1
  Sm  Sm93  1  0.018096  0.539757  0.606437  1
  Sm  Sm94  1  0.293151  0.049800  0.577493  1
  Sm  Sm95  1  0.351408  0.206445  0.606367  1
  Sm  Sm96  1  0.227253  0.389103  0.626263  1
  Sm  Sm97  1  0.626388  0.216475  0.577412  1
  Sm  Sm98  1  0.684461  0.373215  0.605921  1
  Sm  Sm99  1  0.559782  0.556398  0.625776  1
  Sm  Sm100  1  0.959628  0.883227  0.577446  1
  Sm  Sm101  1  0.017900  0.039832  0.606301  1
  Sm  Sm102  1  0.894022  0.222356  0.625972  1
  Sm  Sm103  1  0.350974  0.706696  0.606193  1
  Sm  Sm104  1  0.227066  0.889226  0.626193  1
  Sm  Sm105  1  0.626474  0.716393  0.577561  1
  Sm  Sm106  1  0.684648  0.873042  0.606420  1
  Sm  Sm107  1  0.560462  0.055769  0.626245  1
  Sm  Sm108  1  0.893816  0.722470  0.626254  1
  Sm  Sm109  1  0.285124  0.546353  0.654607  1
  Sm  Sm110  1  0.762750  0.402068  0.721581  1
  Sm  Sm111  1  0.827604  0.562011  0.674771  1
  Sm  Sm112  1  0.285145  0.046499  0.654668  1
  Sm  Sm113  1  0.161115  0.229112  0.674407  1
  Sm  Sm114  1  0.221256  0.385795  0.703370  1
  Sm  Sm115  1  0.618496  0.212925  0.654591  1
  Sm  Sm116  1  0.494493  0.395672  0.674590  1
  Sm  Sm117  1  0.552820  0.553315  0.702817  1
  Sm  Sm118  1  0.951740  0.879823  0.654618  1
  Sm  Sm119  1  0.827623  0.062422  0.674416  1
  Sm  Sm120  1  0.887200  0.219378  0.703186  1
  Sm  Sm121  1  0.160592  0.729277  0.674352  1
  Sm  Sm122  1  0.220254  0.885914  0.703382  1
  Sm  Sm123  1  0.618650  0.712910  0.654833  1
  Sm  Sm124  1  0.494273  0.895725  0.674481  1
  Sm  Sm125  1  0.553839  0.052530  0.703445  1
  Sm  Sm126  1  0.886999  0.718914  0.703505  1
  Sm  Sm127  1  0.095594  0.567864  0.724202  1
  Sm  Sm128  1  0.755706  0.400280  0.795641  1
  Sm  Sm129  1  0.821414  0.557976  0.752685  1
  Sm  Sm130  1  0.096105  0.068460  0.724051  1
  Sm  Sm131  1  0.155462  0.227686  0.751358  1
  Sm  Sm132  1  0.033614  0.408225  0.770046  1
  Sm  Sm133  1  0.430815  0.234876  0.724085  1
  Sm  Sm134  1  0.490781  0.393892  0.751744  1
  Sm  Sm135  1  0.361958  0.576095  0.769661  1
  Sm  Sm136  1  0.763006  0.901383  0.724003  1
  Sm  Sm137  1  0.822786  0.060764  0.751378  1
  Sm  Sm138  1  0.696368  0.242509  0.770138  1
  Sm  Sm139  1  0.154673  0.727310  0.751337  1
  Sm  Sm140  1  0.029885  0.908487  0.769759  1
  Sm  Sm141  1  0.429642  0.734590  0.723974  1
  Sm  Sm142  1  0.488810  0.894080  0.751375  1
  Sm  Sm143  1  0.363479  0.075219  0.769777  1
  Sm  Sm144  1  0.696270  0.742084  0.769853  1
  Al  Al145  1  0.001024  0.601042  0.230764  1
  Al  Al146  1  0.666130  0.434368  0.230996  1
  Al  Al147  1  0.627895  0.563179  0.227438  1
  Al  Al148  1  0.003998  0.101261  0.230811  1
  Al  Al149  1  0.964938  0.228574  0.227706  1
  Al  Al150  1  0.940177  0.438298  0.278809  1
  Al  Al151  1  0.341451  0.269398  0.231952  1
  Al  Al152  1  0.291760  0.397931  0.228535  1
  Al  Al153  1  0.273121  0.605754  0.279066  1
  Al  Al154  1  0.669480  0.934099  0.230784  1
  Al  Al155  1  0.629553  0.061349  0.227376  1
  Al  Al156  1  0.601824  0.273610  0.276154  1
  Al  Al157  1  0.961216  0.729217  0.227443  1
  Al  Al158  1  0.940732  0.938585  0.278867  1
  Al  Al159  1  0.335073  0.767866  0.230790  1
  Al  Al160  1  0.295014  0.895858  0.227416  1
  Al  Al161  1  0.273248  0.104871  0.278985  1
  Al  Al162  1  0.607186  0.772037  0.278914  1
  Al  Al163  1  0.894124  0.568457  0.275926  1
  Al  Al164  1  0.560204  0.401766  0.275372  1
  Al  Al165  1  0.540249  0.612125  0.325929  1
  Al  Al166  1  0.896193  0.068408  0.275873  1
  Al  Al167  1  0.873890  0.278790  0.325768  1
  Al  Al168  1  0.829476  0.407970  0.323233  1
  Al  Al169  1  0.229115  0.234940  0.276056  1
  Al  Al170  1  0.206892  0.445687  0.326096  1
  Al  Al171  1  0.162747  0.575019  0.323599  1
  Al  Al172  1  0.562164  0.901904  0.275912  1
  Al  Al173  1  0.541509  0.111716  0.326363  1
  Al  Al174  1  0.498233  0.241225  0.322978  1
  Al  Al175  1  0.873676  0.778707  0.326016  1
  Al  Al176  1  0.829966  0.908030  0.323418  1
  Al  Al177  1  0.228206  0.735358  0.275944  1
  Al  Al178  1  0.207125  0.945391  0.325998  1
  Al  Al179  1  0.163528  0.074580  0.323593  1
  Al  Al180  1  0.496390  0.741493  0.323436  1
  Al  Al181  1  0.808704  0.618082  0.375068  1
  Al  Al182  1  0.475699  0.451338  0.374919  1
  Al  Al183  1  0.432143  0.581326  0.371918  1
  Al  Al184  1  0.808283  0.118512  0.374689  1
  Al  Al185  1  0.765218  0.248247  0.371660  1
  Al  Al186  1  0.742305  0.457841  0.423295  1
  Al  Al187  1  0.142409  0.284837  0.375072  1
  Al  Al188  1  0.098960  0.414656  0.372000  1
  Al  Al189  1  0.075646  0.624532  0.423497  1
  Al  Al190  1  0.475750  0.951409  0.375177  1
  Al  Al191  1  0.432389  0.081198  0.372100  1
  Al  Al192  1  0.409143  0.291237  0.423421  1
  Al  Al193  1  0.765486  0.747935  0.372011  1
  Al  Al194  1  0.742349  0.957886  0.423504  1
  Al  Al195  1  0.142027  0.784889  0.375109  1
  Al  Al196  1  0.098761  0.914748  0.371967  1
  Al  Al197  1  0.075696  0.124618  0.423404  1
  Al  Al198  1  0.408936  0.791244  0.423472  1
  Al  Al199  1  0.698910  0.587567  0.420425  1
  Al  Al200  1  0.365832  0.420918  0.420397  1
  Al  Al201  1  0.342891  0.630842  0.472057  1
  Al  Al202  1  0.698986  0.087784  0.420352  1
  Al  Al203  1  0.676154  0.297513  0.471887  1
  Al  Al204  1  0.632834  0.427248  0.468845  1
  Al  Al205  1  0.032303  0.254409  0.420431  1
  Al  Al206  1  0.009750  0.464103  0.472086  1
  Al  Al207  1  0.966296  0.593891  0.469080  1
  Al  Al208  1  0.365682  0.920982  0.420561  1
  Al  Al209  1  0.343019  0.130800  0.472111  1
  Al  Al210  1  0.299680  0.260608  0.469035  1
  Al  Al211  1  0.676354  0.797419  0.472158  1
  Al  Al212  1  0.632962  0.927234  0.469101  1
  Al  Al213  1  0.032217  0.754334  0.420527  1
  Al  Al214  1  0.009404  0.964258  0.472009  1
  Al  Al215  1  0.966060  0.094087  0.468948  1
  Al  Al216  1  0.299384  0.760692  0.469000  1
  Al  Al217  1  0.609808  0.637183  0.520511  1
  Al  Al218  1  0.276559  0.470423  0.520602  1
  Al  Al219  1  0.233141  0.600224  0.517527  1
  Al  Al220  1  0.609851  0.137094  0.520566  1
  Al  Al221  1  0.566506  0.266911  0.517444  1
  Al  Al222  1  0.543416  0.476851  0.568992  1
  Al  Al223  1  0.943233  0.303769  0.520491  1
  Al  Al224  1  0.899831  0.433578  0.517496  1
  Al  Al225  1  0.877139  0.643327  0.569236  1
  Al  Al226  1  0.276522  0.970431  0.520605  1
  Al  Al227  1  0.233137  0.100258  0.517546  1
  Al  Al228  1  0.210545  0.310026  0.569161  1
  Al  Al229  1  0.566497  0.766884  0.517595  1
  Al  Al230  1  0.543820  0.976660  0.569216  1
  Al  Al231  1  0.943141  0.803778  0.520617  1
  Al  Al232  1  0.899667  0.933640  0.517498  1
  Al  Al233  1  0.877002  0.143338  0.569028  1
  Al  Al234  1  0.210165  0.810206  0.569096  1
  Al  Al235  1  0.499940  0.606699  0.565928  1
  Al  Al236  1  0.167154  0.439789  0.566219  1
  Al  Al237  1  0.143632  0.649749  0.617741  1
  Al  Al238  1  0.500493  0.106454  0.566202  1
  Al  Al239  1  0.477272  0.316406  0.617717  1
  Al  Al240  1  0.434082  0.446157  0.614594  1
  Al  Al241  1  0.833695  0.273142  0.566012  1
  Al  Al242  1  0.810775  0.483271  0.617410  1
  Al  Al243  1  0.767496  0.612829  0.614744  1
  Al  Al244  1  0.166970  0.939916  0.566166  1
  Al  Al245  1  0.143900  0.149680  0.617666  1
  Al  Al246  1  0.100691  0.279497  0.614535  1
  Al  Al247  1  0.477243  0.816280  0.617765  1
  Al  Al248  1  0.433848  0.946178  0.614625  1
  Al  Al249  1  0.833784  0.773118  0.566231  1
  Al  Al250  1  0.810345  0.983061  0.617692  1
  Al  Al251  1  0.767152  0.112864  0.614524  1
  Al  Al252  1  0.100325  0.779643  0.614523  1
  Al  Al253  1  0.411828  0.656674  0.666076  1
  Al  Al254  1  0.079345  0.489543  0.666413  1
  Al  Al255  1  0.035439  0.618808  0.663842  1
  Al  Al256  1  0.412809  0.156281  0.666326  1
  Al  Al257  1  0.369243  0.285498  0.663760  1
  Al  Al258  1  0.347513  0.495956  0.713747  1
  Al  Al259  1  0.745601  0.322463  0.665539  1
  Al  Al260  1  0.700288  0.452939  0.662491  1
  Al  Al261  1  0.681802  0.661817  0.714176  1
  Al  Al262  1  0.079358  0.989725  0.666275  1
  Al  Al263  1  0.035537  0.118985  0.663684  1
  Al  Al264  1  0.014048  0.329463  0.713804  1
  Al  Al265  1  0.368702  0.785702  0.663722  1
  Al  Al266  1  0.347153  0.995948  0.713808  1
  Al  Al267  1  0.746157  0.822851  0.666358  1
  Al  Al268  1  0.702211  0.952236  0.663753  1
  Al  Al269  1  0.681052  0.162425  0.713808  1
  Al  Al270  1  0.013638  0.829163  0.713777  1
  Al  Al271  1  0.301028  0.625838  0.710616  1
  Al  Al272  1  0.969398  0.458887  0.711174  1
  Al  Al273  1  0.946094  0.667789  0.762264  1
  Al  Al274  1  0.302151  0.125945  0.710854  1
  Al  Al275  1  0.282889  0.334750  0.762197  1
  Al  Al276  1  0.242529  0.463101  0.758874  1
  Al  Al277  1  0.636494  0.292305  0.710858  1
  Al  Al278  1  0.610878  0.502703  0.761540  1
  Al  Al279  1  0.574376  0.629419  0.759111  1
  Al  Al280  1  0.968699  0.959072  0.710776  1
  Al  Al281  1  0.945919  0.170346  0.762360  1
  Al  Al282  1  0.905356  0.298468  0.758829  1
  Al  Al283  1  0.280780  0.834989  0.762203  1
  Al  Al284  1  0.240596  0.963080  0.758893  1
  Al  Al285  1  0.635324  0.792154  0.710837  1
  Al  Al286  1  0.614641  1.001785  0.762296  1
  Al  Al287  1  0.574489  0.129704  0.758973  1
  Al  Al288  1  0.907159  0.796241  0.758950  1
