# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   27.68487646
_cell_length_b   15.74227283
_cell_length_c   47.13776656
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   49.49191287
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm84 Al252'
_cell_volume   15619.6816956
_cell_formula_units_Z   84
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  0.227792  0.893126  0.310597  1
  Sm  Sm2  1  0.862153  0.817519  0.330753  1
  Sm  Sm3  1  0.227792  0.393126  0.310597  1
  Sm  Sm4  1  0.602669  0.441470  0.290532  1
  Sm  Sm5  1  0.862153  0.317519  0.330753  1
  Sm  Sm6  1  0.602669  0.941470  0.290532  1
  Sm  Sm7  1  0.296426  0.053394  0.335732  1
  Sm  Sm8  1  0.041166  0.680756  0.293555  1
  Sm  Sm9  1  0.296426  0.553394  0.335732  1
  Sm  Sm10  1  0.668763  0.621007  0.313397  1
  Sm  Sm11  1  0.041166  0.180756  0.293555  1
  Sm  Sm12  1  0.668763  0.121007  0.313397  1
  Sm  Sm13  1  0.122878  0.174557  0.370918  1
  Sm  Sm14  1  0.753643  0.108347  0.392892  1
  Sm  Sm15  1  0.122878  0.674557  0.370918  1
  Sm  Sm16  1  0.493163  0.743260  0.352714  1
  Sm  Sm17  1  0.753643  0.608347  0.392892  1
  Sm  Sm18  1  0.493163  0.243260  0.352714  1
  Sm  Sm19  1  0.190436  0.346447  0.396233  1
  Sm  Sm20  1  0.929577  0.982213  0.357400  1
  Sm  Sm21  1  0.190436  0.846447  0.396233  1
  Sm  Sm22  1  0.559376  0.914931  0.374147  1
  Sm  Sm23  1  0.929577  0.482213  0.357400  1
  Sm  Sm24  1  0.559376  0.414931  0.374147  1
  Sm  Sm25  1  0.011553  0.476038  0.435218  1
  Sm  Sm26  1  0.642386  0.408517  0.456174  1
  Sm  Sm27  1  0.011553  0.976038  0.435218  1
  Sm  Sm28  1  0.382652  0.041400  0.412946  1
  Sm  Sm29  1  0.642386  0.908517  0.456174  1
  Sm  Sm30  1  0.382652  0.541400  0.412946  1
  Sm  Sm31  1  0.080166  0.646036  0.460063  1
  Sm  Sm32  1  0.820822  0.278845  0.417930  1
  Sm  Sm33  1  0.080166  0.146036  0.460063  1
  Sm  Sm34  1  0.450560  0.212758  0.437863  1
  Sm  Sm35  1  0.820822  0.778845  0.417930  1
  Sm  Sm36  1  0.450560  0.712758  0.437863  1
  Sm  Sm37  1  0.902273  0.772956  0.498032  1
  Sm  Sm38  1  0.532675  0.705720  0.517975  1
  Sm  Sm39  1  0.902273  0.272956  0.498032  1
  Sm  Sm40  1  0.271827  0.341217  0.476495  1
  Sm  Sm41  1  0.532675  0.205720  0.517975  1
  Sm  Sm42  1  0.271827  0.841217  0.476495  1
  Sm  Sm43  1  0.970456  0.944188  0.522327  1
  Sm  Sm44  1  0.709609  0.579685  0.480847  1
  Sm  Sm45  1  0.970456  0.444188  0.522327  1
  Sm  Sm46  1  0.340010  0.512449  0.500790  1
  Sm  Sm47  1  0.709609  0.079685  0.480847  1
  Sm  Sm48  1  0.340010  0.012449  0.500790  1
  Sm  Sm49  1  0.791723  0.072647  0.560959  1
  Sm  Sm50  1  0.421462  0.006560  0.580892  1
  Sm  Sm51  1  0.791723  0.572647  0.560959  1
  Sm  Sm52  1  0.162117  0.639369  0.538759  1
  Sm  Sm53  1  0.421462  0.506560  0.580892  1
  Sm  Sm54  1  0.162117  0.139369  0.538759  1
  Sm  Sm55  1  0.859632  0.244005  0.585876  1
  Sm  Sm56  1  0.599898  0.876888  0.542648  1
  Sm  Sm57  1  0.859632  0.744005  0.585876  1
  Sm  Sm58  1  0.230730  0.809367  0.563604  1
  Sm  Sm59  1  0.599898  0.376888  0.542648  1
  Sm  Sm60  1  0.230730  0.309367  0.563604  1
  Sm  Sm61  1  0.682908  0.370474  0.624675  1
  Sm  Sm62  1  0.312707  0.303192  0.641422  1
  Sm  Sm63  1  0.682908  0.870474  0.624675  1
  Sm  Sm64  1  0.051848  0.938958  0.602589  1
  Sm  Sm65  1  0.312707  0.803192  0.641422  1
  Sm  Sm66  1  0.051848  0.438958  0.602589  1
  Sm  Sm67  1  0.749121  0.542144  0.646108  1
  Sm  Sm68  1  0.488641  0.177058  0.605930  1
  Sm  Sm69  1  0.749121  0.042144  0.646108  1
  Sm  Sm70  1  0.119406  0.110848  0.627904  1
  Sm  Sm71  1  0.488641  0.677058  0.605930  1
  Sm  Sm72  1  0.119406  0.610848  0.627904  1
  Sm  Sm73  1  0.573521  0.664398  0.685425  1
  Sm  Sm74  1  0.201118  0.604649  0.705267  1
  Sm  Sm75  1  0.573521  0.164398  0.685425  1
  Sm  Sm76  1  0.945858  0.232011  0.663090  1
  Sm  Sm77  1  0.201118  0.104649  0.705267  1
  Sm  Sm78  1  0.945858  0.732011  0.663090  1
  Sm  Sm79  1  0.639615  0.843935  0.708290  1
  Sm  Sm80  1  0.380130  0.467886  0.668069  1
  Sm  Sm81  1  0.639615  0.343935  0.708290  1
  Sm  Sm82  1  0.014492  0.392279  0.688225  1
  Sm  Sm83  1  0.380130  0.967886  0.668069  1
  Sm  Sm84  1  0.014492  0.892279  0.688225  1
  Al  Al85  1  0.165403  0.146825  0.305848  1
  Al  Al86  1  0.801530  0.062712  0.330398  1
  Al  Al87  1  0.165403  0.646825  0.305848  1
  Al  Al88  1  0.535823  0.692396  0.291230  1
  Al  Al89  1  0.801530  0.562712  0.330398  1
  Al  Al90  1  0.535823  0.192396  0.291230  1
  Al  Al91  1  0.417845  0.901662  0.299658  1
  Al  Al92  1  0.047924  0.851719  0.318803  1
  Al  Al93  1  0.417845  0.401662  0.299658  1
  Al  Al94  1  0.686090  0.778009  0.341082  1
  Al  Al95  1  0.047924  0.351719  0.318803  1
  Al  Al96  1  0.686090  0.278009  0.341082  1
  Al  Al97  1  0.167827  0.290171  0.338135  1
  Al  Al98  1  0.914047  0.923715  0.297902  1
  Al  Al99  1  0.167827  0.790171  0.338135  1
  Al  Al100  1  0.530980  0.861566  0.314145  1
  Al  Al101  1  0.914047  0.423715  0.297902  1
  Al  Al102  1  0.530980  0.361566  0.314145  1
  Al  Al103  1  0.365104  0.801872  0.329391  1
  Al  Al104  1  0.103325  0.425150  0.291712  1
  Al  Al105  1  0.365104  0.301872  0.329391  1
  Al  Al106  1  0.736600  0.364622  0.311776  1
  Al  Al107  1  0.103325  0.925150  0.291712  1
  Al  Al108  1  0.736600  0.864622  0.311776  1
  Al  Al109  1  0.229869  0.711197  0.283980  1
  Al  Al110  1  0.859291  0.642361  0.303387  1
  Al  Al111  1  0.229869  0.211197  0.283980  1
  Al  Al112  1  0.474514  0.588558  0.321404  1
  Al  Al113  1  0.859291  0.142361  0.303387  1
  Al  Al114  1  0.474514  0.088558  0.321404  1
  Al  Al115  1  0.359782  0.638896  0.303333  1
  Al  Al116  1  0.987715  0.573541  0.323585  1
  Al  Al117  1  0.359782  0.138896  0.303333  1
  Al  Al118  1  0.740904  0.202793  0.285750  1
  Al  Al119  1  0.987715  0.073541  0.323585  1
  Al  Al120  1  0.740904  0.702793  0.285750  1
  Al  Al121  1  0.057984  0.424872  0.372694  1
  Al  Al122  1  0.689789  0.356883  0.394113  1
  Al  Al123  1  0.057984  0.924872  0.372694  1
  Al  Al124  1  0.427044  0.995398  0.350063  1
  Al  Al125  1  0.689789  0.856883  0.394113  1
  Al  Al126  1  0.427044  0.495398  0.350063  1
  Al  Al127  1  0.313427  0.214045  0.359784  1
  Al  Al128  1  0.943677  0.144741  0.382021  1
  Al  Al129  1  0.313427  0.714045  0.359784  1
  Al  Al130  1  0.574362  0.073391  0.403310  1
  Al  Al131  1  0.943677  0.644741  0.382021  1
  Al  Al132  1  0.574362  0.573391  0.403310  1
  Al  Al133  1  0.060896  0.582743  0.401720  1
  Al  Al134  1  0.800999  0.220845  0.358809  1
  Al  Al135  1  0.060896  0.082743  0.401720  1
  Al  Al136  1  0.428793  0.153282  0.378383  1
  Al  Al137  1  0.800999  0.720845  0.358809  1
  Al  Al138  1  0.428793  0.653282  0.378383  1
  Al  Al139  1  0.252110  0.098162  0.397264  1
  Al  Al140  1  0.992936  0.732493  0.354942  1
  Al  Al141  1  0.252110  0.598162  0.397264  1
  Al  Al142  1  0.624487  0.664698  0.375715  1
  Al  Al143  1  0.992936  0.232493  0.354942  1
  Al  Al144  1  0.624487  0.164698  0.375715  1
  Al  Al145  1  0.104485  0.015182  0.345235  1
  Al  Al146  1  0.739401  0.947005  0.365889  1
  Al  Al147  1  0.104485  0.515182  0.345235  1
  Al  Al148  1  0.369122  0.879049  0.386326  1
  Al  Al149  1  0.739401  0.447005  0.365889  1
  Al  Al150  1  0.369122  0.379049  0.386326  1
  Al  Al151  1  0.254926  0.936483  0.369046  1
  Al  Al152  1  0.883495  0.870758  0.389915  1
  Al  Al153  1  0.254926  0.436483  0.369046  1
  Al  Al154  1  0.624117  0.506652  0.347328  1
  Al  Al155  1  0.883495  0.370758  0.389915  1
  Al  Al156  1  0.624117  0.006652  0.347328  1
  Al  Al157  1  0.949771  0.723251  0.435972  1
  Al  Al158  1  0.579812  0.656777  0.455961  1
  Al  Al159  1  0.949771  0.223251  0.435972  1
  Al  Al160  1  0.319839  0.288551  0.414719  1
  Al  Al161  1  0.579812  0.156777  0.455961  1
  Al  Al162  1  0.319839  0.788551  0.414719  1
  Al  Al163  1  0.201795  0.509422  0.424192  1
  Al  Al164  1  0.832188  0.441918  0.445717  1
  Al  Al165  1  0.201795  0.009422  0.424192  1
  Al  Al166  1  0.462686  0.375920  0.465403  1
  Al  Al167  1  0.832188  0.941918  0.445717  1
  Al  Al168  1  0.462686  0.875920  0.465403  1
  Al  Al169  1  0.950009  0.881833  0.464412  1
  Al  Al170  1  0.691087  0.516428  0.422219  1
  Al  Al171  1  0.950009  0.381833  0.464412  1
  Al  Al172  1  0.320473  0.448631  0.442811  1
  Al  Al173  1  0.691087  0.016428  0.422219  1
  Al  Al174  1  0.320473  0.948631  0.442811  1
  Al  Al175  1  0.142924  0.397839  0.458300  1
  Al  Al176  1  0.882912  0.029892  0.418826  1
  Al  Al177  1  0.142924  0.897839  0.458300  1
  Al  Al178  1  0.513811  0.964842  0.436985  1
  Al  Al179  1  0.882912  0.529892  0.418826  1
  Al  Al180  1  0.513811  0.464842  0.436985  1
  Al  Al181  1  1.001869  0.310000  0.408184  1
  Al  Al182  1  0.630892  0.246188  0.428132  1
  Al  Al183  1  1.001869  0.810000  0.408184  1
  Al  Al184  1  0.259617  0.178828  0.448871  1
  Al  Al185  1  0.630892  0.746188  0.428132  1
  Al  Al186  1  0.259617  0.678828  0.448871  1
  Al  Al187  1  0.140762  0.239505  0.429870  1
  Al  Al188  1  0.771636  0.171486  0.451784  1
  Al  Al189  1  0.140762  0.739505  0.429870  1
  Al  Al190  1  0.514461  0.804561  0.410142  1
  Al  Al191  1  0.771636  0.671486  0.451784  1
  Al  Al192  1  0.514461  0.304561  0.410142  1
  Al  Al193  1  0.839122  0.021757  0.498820  1
  Al  Al194  1  0.468963  0.954989  0.518725  1
  Al  Al195  1  0.839122  0.521757  0.498820  1
  Al  Al196  1  0.209340  0.590176  0.476577  1
  Al  Al197  1  0.468963  0.454989  0.518725  1
  Al  Al198  1  0.209340  0.090176  0.476577  1
  Al  Al199  1  0.093204  0.808964  0.486615  1
  Al  Al200  1  0.723942  0.740485  0.508108  1
  Al  Al201  1  0.093204  0.308964  0.486615  1
  Al  Al202  1  0.353482  0.673950  0.527853  1
  Al  Al203  1  0.723942  0.240485  0.508108  1
  Al  Al204  1  0.353482  0.173950  0.527853  1
  Al  Al205  1  0.840150  0.181041  0.527358  1
  Al  Al206  1  0.579083  0.817054  0.483960  1
  Al  Al207  1  0.840150  0.681041  0.527358  1
  Al  Al208  1  0.209724  0.748878  0.505178  1
  Al  Al209  1  0.579083  0.317054  0.483960  1
  Al  Al210  1  0.209724  0.248878  0.505178  1
  Al  Al211  1  0.032944  0.695229  0.522245  1
  Al  Al212  1  0.773321  0.330416  0.480097  1
  Al  Al213  1  0.032944  0.195229  0.522245  1
  Al  Al214  1  0.403162  0.263648  0.500002  1
  Al  Al215  1  0.773321  0.830416  0.480097  1
  Al  Al216  1  0.403162  0.763648  0.500002  1
  Al  Al217  1  0.888802  0.611455  0.470969  1
  Al  Al218  1  0.518342  0.544920  0.490714  1
  Al  Al219  1  0.888802  0.111455  0.470969  1
  Al  Al220  1  0.149080  0.476441  0.512207  1
  Al  Al221  1  0.518342  0.044920  0.490714  1
  Al  Al222  1  0.149080  0.976441  0.512207  1
  Al  Al223  1  0.032560  0.536527  0.493644  1
  Al  Al224  1  0.663201  0.468351  0.514862  1
  Al  Al225  1  0.032560  0.036527  0.493644  1
  Al  Al226  1  0.402134  0.104364  0.471464  1
  Al  Al227  1  0.663201  0.968351  0.514862  1
  Al  Al228  1  0.402134  0.604364  0.471464  1
  Al  Al229  1  0.728472  0.320563  0.561837  1
  Al  Al230  1  0.359372  0.255513  0.579996  1
  Al  Al231  1  0.728472  0.820563  0.561837  1
  Al  Al232  1  0.099360  0.887566  0.540522  1
  Al  Al233  1  0.359372  0.755513  0.579996  1
  Al  Al234  1  0.099360  0.387566  0.540522  1
  Al  Al235  1  0.982667  0.106577  0.549951  1
  Al  Al236  1  0.611392  0.039217  0.570690  1
  Al  Al237  1  0.982667  0.606577  0.549951  1
  Al  Al238  1  0.240414  0.975405  0.590638  1
  Al  Al239  1  0.611392  0.539217  0.570690  1
  Al  Al240  1  0.240414  0.475405  0.590638  1
  Al  Al241  1  0.727823  0.480844  0.588680  1
  Al  Al242  1  0.470648  0.113919  0.547038  1
  Al  Al243  1  0.727823  0.980844  0.588680  1
  Al  Al244  1  0.101522  0.045900  0.568952  1
  Al  Al245  1  0.470648  0.613919  0.547038  1
  Al  Al246  1  0.101522  0.545900  0.568952  1
  Al  Al247  1  0.922445  0.996853  0.584103  1
  Al  Al248  1  0.662472  0.628628  0.542861  1
  Al  Al249  1  0.922445  0.496853  0.584103  1
  Al  Al250  1  0.292513  0.562154  0.562850  1
  Al  Al251  1  0.662472  0.128628  0.542861  1
  Al  Al252  1  0.292513  0.062154  0.562850  1
  Al  Al253  1  0.779598  0.909485  0.533419  1
  Al  Al254  1  0.410096  0.843487  0.553105  1
  Al  Al255  1  0.779598  0.409485  0.533419  1
  Al  Al256  1  0.040489  0.775983  0.574630  1
  Al  Al257  1  0.410096  0.343487  0.553105  1
  Al  Al258  1  0.040489  0.275983  0.574630  1
  Al  Al259  1  0.921811  0.836774  0.556011  1
  Al  Al260  1  0.551196  0.768977  0.576603  1
  Al  Al261  1  0.921811  0.336774  0.556011  1
  Al  Al262  1  0.292275  0.403572  0.534410  1
  Al  Al263  1  0.551196  0.268977  0.576603  1
  Al  Al264  1  0.292275  0.903572  0.534410  1
  Al  Al265  1  0.617796  0.620707  0.623107  1
  Al  Al266  1  0.249347  0.552912  0.643880  1
  Al  Al267  1  0.617796  0.120707  0.623107  1
  Al  Al268  1  0.990174  0.187243  0.601558  1
  Al  Al269  1  0.249347  0.052912  0.643880  1
  Al  Al270  1  0.990174  0.687243  0.601558  1
  Al  Al271  1  0.873162  0.406356  0.612496  1
  Al  Al272  1  0.502882  0.338400  0.632933  1
  Al  Al273  1  0.873162  0.906356  0.612496  1
  Al  Al274  1  0.137799  0.270223  0.653587  1
  Al  Al275  1  0.502882  0.838400  0.632933  1
  Al  Al276  1  0.137799  0.770223  0.653587  1
  Al  Al277  1  0.618166  0.778753  0.651494  1
  Al  Al278  1  0.358789  0.414647  0.608907  1
  Al  Al279  1  0.618166  0.278753  0.651494  1
  Al  Al280  1  0.987357  0.348922  0.629776  1
  Al  Al281  1  0.358789  0.914647  0.608907  1
  Al  Al282  1  0.987357  0.848922  0.629776  1
  Al  Al283  1  0.815239  0.290007  0.648759  1
  Al  Al284  1  0.552494  0.928521  0.604709  1
  Al  Al285  1  0.815239  0.790007  0.648759  1
  Al  Al286  1  0.184300  0.860533  0.626128  1
  Al  Al287  1  0.552494  0.428521  0.604709  1
  Al  Al288  1  0.184300  0.360533  0.626128  1
  Al  Al289  1  0.667922  0.212014  0.595512  1
  Al  Al290  1  0.298607  0.140664  0.616801  1
  Al  Al291  1  0.667922  0.712014  0.595512  1
  Al  Al292  1  0.928856  0.071360  0.639038  1
  Al  Al293  1  0.298607  0.640664  0.616801  1
  Al  Al294  1  0.928856  0.571360  0.639038  1
  Al  Al295  1  0.813490  0.132123  0.620439  1
  Al  Al296  1  0.441284  0.064560  0.640013  1
  Al  Al297  1  0.813490  0.632123  0.620439  1
  Al  Al298  1  0.181388  0.702662  0.597102  1
  Al  Al299  1  0.441284  0.564560  0.640013  1
  Al  Al300  1  0.181388  0.202662  0.597102  1
  Al  Al301  1  0.505684  0.920783  0.687046  1
  Al  Al302  1  0.138959  0.860255  0.707110  1
  Al  Al303  1  0.505684  0.420783  0.687046  1
  Al  Al304  1  0.877180  0.483533  0.669431  1
  Al  Al305  1  0.138959  0.360255  0.707110  1
  Al  Al306  1  0.877180  0.983533  0.669431  1
  Al  Al307  1  0.767770  0.696847  0.677418  1
  Al  Al308  1  0.382992  0.643044  0.695435  1
  Al  Al309  1  0.767770  0.196847  0.677418  1
  Al  Al310  1  0.012415  0.574208  0.714842  1
  Al  Al311  1  0.382992  0.143044  0.695435  1
  Al  Al312  1  0.012415  0.074208  0.714842  1
  Al  Al313  1  0.501379  0.082612  0.713072  1
  Al  Al314  1  0.254569  0.711864  0.675237  1
  Al  Al315  1  0.501379  0.582612  0.713072  1
  Al  Al316  1  0.882501  0.646509  0.695489  1
  Al  Al317  1  0.254569  0.211864  0.675237  1
  Al  Al318  1  0.882501  0.146509  0.695489  1
  Al  Al319  1  0.706461  0.593009  0.707592  1
  Al  Al320  1  0.440754  0.222693  0.668424  1
  Al  Al321  1  0.706461  0.093009  0.707592  1
  Al  Al322  1  0.076880  0.138580  0.692974  1
  Al  Al323  1  0.440754  0.722693  0.668424  1
  Al  Al324  1  0.076880  0.638580  0.692974  1
  Al  Al325  1  0.556193  0.507396  0.657740  1
  Al  Al326  1  0.194359  0.433686  0.680019  1
  Al  Al327  1  0.556193  0.007396  0.657740  1
  Al  Al328  1  0.824438  0.383743  0.699164  1
  Al  Al329  1  0.194359  0.933686  0.680019  1
  Al  Al330  1  0.824438  0.883743  0.699164  1
  Al  Al331  1  0.711304  0.423839  0.684677  1
  Al  Al332  1  0.328237  0.361690  0.700920  1
  Al  Al333  1  0.711304  0.923839  0.684677  1
  Al  Al334  1  0.074456  0.995234  0.660687  1
  Al  Al335  1  0.328237  0.861690  0.700920  1
  Al  Al336  1  0.074456  0.495234  0.660687  1
