# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.66141449
_cell_length_b   12.90087717
_cell_length_c   54.88797360
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.18268139
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm120 Al120'
_cell_volume   13091.4010922
_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  0.952192  0.899864  0.307154  1
  Sm  Sm2  1  0.257480  0.824656  0.344528  1
  Sm  Sm3  1  0.634336  0.953232  0.280882  1
  Sm  Sm4  1  0.996607  0.135913  0.346516  1
  Sm  Sm5  1  0.373797  0.259684  0.283158  1
  Sm  Sm6  1  0.685554  0.190667  0.315199  1
  Sm  Sm7  1  0.811375  0.315040  0.348785  1
  Sm  Sm8  1  0.183342  0.425924  0.287627  1
  Sm  Sm9  1  0.499229  0.371632  0.320730  1
  Sm  Sm10  1  0.797317  0.762616  0.278746  1
  Sm  Sm11  1  0.107015  0.701991  0.310667  1
  Sm  Sm12  1  0.410724  0.644578  0.341716  1
  Sm  Sm13  1  0.046687  0.132756  0.282489  1
  Sm  Sm14  1  0.349270  0.029119  0.319443  1
  Sm  Sm15  1  0.660279  0.967817  0.348771  1
  Sm  Sm16  1  0.949806  0.374782  0.306448  1
  Sm  Sm17  1  0.261690  0.303375  0.341669  1
  Sm  Sm18  1  0.631826  0.426786  0.277330  1
  Sm  Sm19  1  0.768091  0.539296  0.310045  1
  Sm  Sm20  1  0.075229  0.485656  0.342964  1
  Sm  Sm21  1  0.452478  0.593395  0.279430  1
  Sm  Sm22  1  0.815293  0.793639  0.345871  1
  Sm  Sm23  1  0.189495  0.920655  0.286599  1
  Sm  Sm24  1  0.504254  0.844133  0.316338  1
  Sm  Sm25  1  0.878830  0.705306  0.403106  1
  Sm  Sm26  1  0.185653  0.642320  0.435409  1
  Sm  Sm27  1  0.568765  0.762197  0.374043  1
  Sm  Sm28  1  0.920033  0.954477  0.438960  1
  Sm  Sm29  1  0.303181  0.073524  0.379890  1
  Sm  Sm30  1  0.611665  0.012765  0.409217  1
  Sm  Sm31  1  0.736778  0.133722  0.439217  1
  Sm  Sm32  1  0.119065  0.251790  0.381451  1
  Sm  Sm33  1  0.428276  0.192086  0.410224  1
  Sm  Sm34  1  0.720681  0.587668  0.370726  1
  Sm  Sm35  1  0.028196  0.525531  0.402778  1
  Sm  Sm36  1  0.337525  0.467212  0.433265  1
  Sm  Sm37  1  0.969998  0.912703  0.377517  1
  Sm  Sm38  1  0.277758  0.846521  0.410043  1
  Sm  Sm39  1  0.585901  0.786810  0.439940  1
  Sm  Sm40  1  0.880297  0.183893  0.400716  1
  Sm  Sm41  1  0.187331  0.119962  0.433044  1
  Sm  Sm42  1  0.571250  0.240284  0.371424  1
  Sm  Sm43  1  0.695450  0.362631  0.401931  1
  Sm  Sm44  1  0.002538  0.300860  0.433093  1
  Sm  Sm45  1  0.386291  0.420767  0.373537  1
  Sm  Sm46  1  0.738223  0.612868  0.436778  1
  Sm  Sm47  1  0.121381  0.729227  0.378298  1
  Sm  Sm48  1  0.429555  0.671087  0.407692  1
  Sm  Sm49  1  0.802069  0.523672  0.494782  1
  Sm  Sm50  1  0.110339  0.462679  0.525570  1
  Sm  Sm51  1  0.493820  0.582318  0.465542  1
  Sm  Sm52  1  0.844126  0.773589  0.530256  1
  Sm  Sm53  1  0.228289  0.892734  0.470422  1
  Sm  Sm54  1  0.536001  0.832350  0.500676  1
  Sm  Sm55  1  0.660350  0.953395  0.530677  1
  Sm  Sm56  1  0.043972  0.072457  0.470559  1
  Sm  Sm57  1  0.352111  0.011910  0.501315  1
  Sm  Sm58  1  0.645776  0.407899  0.462316  1
  Sm  Sm59  1  0.953170  0.347422  0.492979  1
  Sm  Sm60  1  0.261803  0.285969  0.524188  1
  Sm  Sm61  1  0.894061  0.727922  0.469501  1
  Sm  Sm62  1  0.202694  0.666468  0.500711  1
  Sm  Sm63  1  0.510088  0.605991  0.531374  1
  Sm  Sm64  1  0.803754  1.001981  0.492375  1
  Sm  Sm65  1  0.111892  0.941433  0.523131  1
  Sm  Sm66  1  0.495514  0.060495  0.463012  1
  Sm  Sm67  1  0.619863  0.181540  0.493014  1
  Sm  Sm68  1  0.927575  0.121156  0.523267  1
  Sm  Sm69  1  0.311738  0.240301  0.463433  1
  Sm  Sm70  1  0.662044  0.431572  0.528147  1
  Sm  Sm71  1  0.045525  0.551211  0.468119  1
  Sm  Sm72  1  0.353795  0.490218  0.498907  1
  Sm  Sm73  1  0.726310  0.342803  0.585998  1
  Sm  Sm74  1  0.034484  0.284663  0.615391  1
  Sm  Sm75  1  0.417641  0.401023  0.556912  1
  Sm  Sm76  1  0.769573  0.593123  0.620152  1
  Sm  Sm77  1  0.153327  0.713030  0.560597  1
  Sm  Sm78  1  0.460414  0.651259  0.591758  1
  Sm  Sm79  1  0.584614  0.773606  0.622266  1
  Sm  Sm80  1  0.968533  0.893928  0.560646  1
  Sm  Sm81  1  0.275567  0.829998  0.592974  1
  Sm  Sm82  1  0.569963  0.227080  0.553749  1
  Sm  Sm83  1  0.878106  0.167370  0.583646  1
  Sm  Sm84  1  0.185866  0.101187  0.616172  1
  Sm  Sm85  1  0.818340  0.546679  0.560424  1
  Sm  Sm86  1  0.127669  0.488359  0.590911  1
  Sm  Sm87  1  0.435184  0.426222  0.622964  1
  Sm  Sm88  1  0.727588  0.821804  0.583465  1
  Sm  Sm89  1  0.036799  0.762100  0.612239  1
  Sm  Sm90  1  0.419086  0.880168  0.554472  1
  Sm  Sm91  1  0.544199  1.001125  0.584472  1
  Sm  Sm92  1  0.852683  0.940366  0.613800  1
  Sm  Sm93  1  0.235831  0.059413  0.554730  1
  Sm  Sm94  1  0.587100  0.251694  0.619646  1
  Sm  Sm95  1  0.970211  0.371571  0.558280  1
  Sm  Sm96  1  0.277034  0.308584  0.590583  1
  Sm  Sm97  1  0.651610  0.169758  0.677351  1
  Sm  Sm98  1  0.966369  0.093236  0.707090  1
  Sm  Sm99  1  0.340571  0.220251  0.647819  1
  Sm  Sm100  1  0.703386  0.420495  0.714259  1
  Sm  Sm101  1  0.080636  0.528234  0.650726  1
  Sm  Sm102  1  0.387773  0.474594  0.683644  1
  Sm  Sm103  1  0.524038  0.587104  0.716360  1
  Sm  Sm104  1  0.894174  0.710516  0.652021  1
  Sm  Sm105  1  0.206058  0.639108  0.687241  1
  Sm  Sm106  1  0.495585  0.046073  0.644919  1
  Sm  Sm107  1  0.806595  0.984771  0.674246  1
  Sm  Sm108  1  0.109178  0.881134  0.711200  1
  Sm  Sm109  1  0.745140  0.369312  0.651974  1
  Sm  Sm110  1  0.048849  0.311900  0.683022  1
  Sm  Sm111  1  0.358547  0.251274  0.714943  1
  Sm  Sm112  1  0.656636  0.642258  0.672960  1
  Sm  Sm113  1  0.972523  0.587967  0.706062  1
  Sm  Sm114  1  0.344489  0.698850  0.644904  1
  Sm  Sm115  1  0.470310  0.823224  0.678490  1
  Sm  Sm116  1  0.782067  0.754206  0.710532  1
  Sm  Sm117  1  0.159257  0.877977  0.647173  1
  Sm  Sm118  1  0.521529  0.060658  0.712808  1
  Sm  Sm119  1  0.898384  0.189234  0.649161  1
  Sm  Sm120  1  0.203672  0.114026  0.686535  1
  Al  Al121  1  0.874392  0.143314  0.305927  1
  Al  Al122  1  0.180048  0.079349  0.336020  1
  Al  Al123  1  0.552000  0.205075  0.278273  1
  Al  Al124  1  0.891540  0.540182  0.354737  1
  Al  Al125  1  0.273404  0.655592  0.298124  1
  Al  Al126  1  0.581307  0.595892  0.324839  1
  Al  Al127  1  0.782405  0.976961  0.306374  1
  Al  Al128  1  0.092970  0.922217  0.335371  1
  Al  Al129  1  0.464621  0.029946  0.278486  1
  Al  Al130  1  0.030174  0.541955  0.282690  1
  Al  Al131  1  0.342396  0.466244  0.312768  1
  Al  Al132  1  0.654545  0.409663  0.340017  1
  Al  Al133  1  0.836917  0.048696  0.348682  1
  Al  Al134  1  0.218733  0.170281  0.292598  1
  Al  Al135  1  0.525331  0.103796  0.320428  1
  Al  Al136  1  0.926607  0.638820  0.311322  1
  Al  Al137  1  0.235282  0.564612  0.341587  1
  Al  Al138  1  0.620722  0.687592  0.281508  1
  Al  Al139  1  0.793142  0.316743  0.288797  1
  Al  Al140  1  0.107267  0.268541  0.321938  1
  Al  Al141  1  0.416822  0.203736  0.348162  1
  Al  Al142  1  0.979828  0.700155  0.353161  1
  Al  Al143  1  0.356442  0.810301  0.295297  1
  Al  Al144  1  0.671393  0.754458  0.323494  1
  Al  Al145  1  0.799296  0.959793  0.394485  1
  Al  Al146  1  0.107282  0.898118  0.425925  1
  Al  Al147  1  0.489175  0.016897  0.365042  1
  Al  Al148  1  0.815946  0.357330  0.445940  1
  Al  Al149  1  0.198871  0.475813  0.386674  1
  Al  Al150  1  0.508350  0.416305  0.416522  1
  Al  Al151  1  0.713033  0.803786  0.395849  1
  Al  Al152  1  0.020276  0.744203  0.426796  1
  Al  Al153  1  0.402869  0.862141  0.366003  1
  Al  Al154  1  0.964029  0.353498  0.370254  1
  Al  Al155  1  0.271645  0.291607  0.403375  1
  Al  Al156  1  0.579991  0.231027  0.433030  1
  Al  Al157  1  0.761493  0.868482  0.440041  1
  Al  Al158  1  0.143662  0.986628  0.380113  1
  Al  Al159  1  0.452664  0.926702  0.410462  1
  Al  Al160  1  0.854760  0.448083  0.400374  1
  Al  Al161  1  0.162007  0.386246  0.432236  1
  Al  Al162  1  0.546561  0.505458  0.370656  1
  Al  Al163  1  0.727745  0.144934  0.377241  1
  Al  Al164  1  0.035211  0.082896  0.408930  1
  Al  Al165  1  0.344021  0.021908  0.439779  1
  Al  Al166  1  0.902456  0.512063  0.444789  1
  Al  Al167  1  0.286172  0.630701  0.385314  1
  Al  Al168  1  0.594509  0.571299  0.414773  1
  Al  Al169  1  0.723861  0.778227  0.485955  1
  Al  Al170  1  0.031955  0.718087  0.516442  1
  Al  Al171  1  0.415890  0.837202  0.456493  1
  Al  Al172  1  0.739974  0.176688  0.537197  1
  Al  Al173  1  0.123910  0.295803  0.477248  1
  Al  Al174  1  0.432003  0.235664  0.507734  1
  Al  Al175  1  0.637305  0.623614  0.487362  1
  Al  Al176  1  0.944928  0.564034  0.517531  1
  Al  Al177  1  0.329009  0.683202  0.457839  1
  Al  Al178  1  0.887800  0.172206  0.462832  1
  Al  Al179  1  0.196061  0.111233  0.494183  1
  Al  Al180  1  0.503595  0.050747  0.524453  1
  Al  Al181  1  0.685278  0.688031  0.531492  1
  Al  Al182  1  0.069529  0.807280  0.471016  1
  Al  Al183  1  0.377692  0.746772  0.502017  1
  Al  Al184  1  0.778172  0.267118  0.491673  1
  Al  Al185  1  0.086335  0.206610  0.522673  1
  Al  Al186  1  0.470586  0.325859  0.462197  1
  Al  Al187  1  0.652269  0.963143  0.469236  1
  Al  Al188  1  0.959804  0.902657  0.499506  1
  Al  Al189  1  0.268065  0.841684  0.530858  1
  Al  Al190  1  0.826856  0.330688  0.535851  1
  Al  Al191  1  0.210936  0.449857  0.476158  1
  Al  Al192  1  0.518560  0.390276  0.506327  1
  Al  Al193  1  0.647514  0.597585  0.577168  1
  Al  Al194  1  0.956993  0.538077  0.607015  1
  Al  Al195  1  0.339918  0.656560  0.547749  1
  Al  Al196  1  0.666689  0.996993  0.628648  1
  Al  Al197  1  0.048582  0.115772  0.567765  1
  Al  Al198  1  0.356568  0.054097  0.599205  1
  Al  Al199  1  0.561355  0.442591  0.578917  1
  Al  Al200  1  0.869692  0.383189  0.608375  1
  Al  Al201  1  0.253408  0.501828  0.548901  1
  Al  Al202  1  0.811843  0.991982  0.553911  1
  Al  Al203  1  0.120653  0.930994  0.584760  1
  Al  Al204  1  0.428119  0.868957  0.616448  1
  Al  Al205  1  0.609303  0.508432  0.623033  1
  Al  Al206  1  0.993858  0.627644  0.561454  1
  Al  Al207  1  0.301104  0.565807  0.593316  1
  Al  Al208  1  0.703200  0.087188  0.583228  1
  Al  Al209  1  0.012202  0.027262  0.613577  1
  Al  Al210  1  0.394371  0.145409  0.553648  1
  Al  Al211  1  0.575873  0.782864  0.560660  1
  Al  Al212  1  0.884219  0.722284  0.590314  1
  Al  Al213  1  0.191835  0.660392  0.623436  1
  Al  Al214  1  0.752995  0.151749  0.627687  1
  Al  Al215  1  0.135588  0.269687  0.566894  1
  Al  Al216  1  0.442832  0.210104  0.597841  1
  Al  Al217  1  0.574558  0.417998  0.668851  1
  Al  Al218  1  0.882461  0.358299  0.695565  1
  Al  Al219  1  0.264324  0.473708  0.638952  1
  Al  Al220  1  0.603865  0.808816  0.715416  1
  Al  Al221  1  0.975817  0.934541  0.657669  1
  Al  Al222  1  0.281472  0.870576  0.687762  1
  Al  Al223  1  0.484471  0.259433  0.670195  1
  Al  Al224  1  0.799422  0.203590  0.698393  1
  Al  Al225  1  0.176036  0.313735  0.640528  1
  Al  Al226  1  0.739042  0.810154  0.645528  1
  Al  Al227  1  0.048597  0.745349  0.671751  1
  Al  Al228  1  0.362722  0.697148  0.704893  1
  Al  Al229  1  0.535143  0.326298  0.712182  1
  Al  Al230  1  0.920582  0.449279  0.652102  1
  Al  Al231  1  0.229257  0.375070  0.682368  1
  Al  Al232  1  0.630533  0.910094  0.673262  1
  Al  Al233  1  0.937131  0.843609  0.701092  1
  Al  Al234  1  0.318947  0.965194  0.645007  1
  Al  Al235  1  0.501319  0.604227  0.653673  1
  Al  Al236  1  0.813468  0.547647  0.680921  1
  Al  Al237  1  0.125691  0.471936  0.710999  1
  Al  Al238  1  0.691244  0.983944  0.715203  1
  Al  Al239  1  0.062895  0.091673  0.658318  1
  Al  Al240  1  0.373459  0.036929  0.687315  1
