# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.94985395
_cell_length_b   9.81069683
_cell_length_c   49.82872602
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.67031000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm216
_cell_volume   17646.4787737
_cell_formula_units_Z   216
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  0.923478  0.608626  0.289173  1
  Sm  Sm2  1  0.256811  0.608626  0.289173  1
  Sm  Sm3  1  0.918742  0.984389  0.312001  1
  Sm  Sm4  1  0.590145  0.608626  0.289173  1
  Sm  Sm5  1  0.252075  0.984389  0.312001  1
  Sm  Sm6  1  0.913591  0.363859  0.339488  1
  Sm  Sm7  1  0.585408  0.984389  0.312001  1
  Sm  Sm8  1  0.246924  0.363859  0.339488  1
  Sm  Sm9  1  0.580257  0.363859  0.339488  1
  Sm  Sm10  1  0.744999  0.856917  0.339219  1
  Sm  Sm11  1  0.078333  0.856917  0.339219  1
  Sm  Sm12  1  0.764755  0.088499  0.290796  1
  Sm  Sm13  1  0.411666  0.856917  0.339219  1
  Sm  Sm14  1  0.098088  0.088499  0.290796  1
  Sm  Sm15  1  0.750642  0.488038  0.311445  1
  Sm  Sm16  1  0.431421  0.088499  0.290796  1
  Sm  Sm17  1  0.083975  0.488038  0.311445  1
  Sm  Sm18  1  0.417308  0.488038  0.311445  1
  Sm  Sm19  1  0.680523  0.906096  0.279459  1
  Sm  Sm20  1  0.013857  0.906096  0.279459  1
  Sm  Sm21  1  0.669804  0.292915  0.300725  1
  Sm  Sm22  1  0.347190  0.906096  0.279459  1
  Sm  Sm23  1  1.003137  0.292915  0.300725  1
  Sm  Sm24  1  0.664024  0.672020  0.328421  1
  Sm  Sm25  1  0.336471  0.292915  0.300725  1
  Sm  Sm26  1  0.997357  0.672020  0.328421  1
  Sm  Sm27  1  0.330690  0.672020  0.328421  1
  Sm  Sm28  1  0.832895  0.685053  0.319838  1
  Sm  Sm29  1  0.166229  0.685053  0.319838  1
  Sm  Sm30  1  0.825998  0.051074  0.348599  1
  Sm  Sm31  1  0.499562  0.685053  0.319838  1
  Sm  Sm32  1  0.159332  0.051074  0.348599  1
  Sm  Sm33  1  0.842776  0.296501  0.299539  1
  Sm  Sm34  1  0.492665  0.051074  0.348599  1
  Sm  Sm35  1  0.176109  0.296501  0.299539  1
  Sm  Sm36  1  0.509443  0.296501  0.299539  1
  Sm  Sm37  1  0.905605  0.739598  0.362921  1
  Sm  Sm38  1  0.238938  0.739598  0.362921  1
  Sm  Sm39  1  0.898552  0.120161  0.384716  1
  Sm  Sm40  1  0.572272  0.739598  0.362921  1
  Sm  Sm41  1  0.231886  0.120161  0.384716  1
  Sm  Sm42  1  0.892555  0.496532  0.410396  1
  Sm  Sm43  1  0.565219  0.120161  0.384716  1
  Sm  Sm44  1  0.225888  0.496532  0.410396  1
  Sm  Sm45  1  0.559221  0.496532  0.410396  1
  Sm  Sm46  1  0.726423  1.000588  0.409195  1
  Sm  Sm47  1  0.059757  1.000588  0.409195  1
  Sm  Sm48  1  0.739255  0.244037  0.360746  1
  Sm  Sm49  1  0.393090  1.000588  0.409195  1
  Sm  Sm50  1  0.072589  0.244037  0.360746  1
  Sm  Sm51  1  0.732212  0.617166  0.386103  1
  Sm  Sm52  1  0.405922  0.244037  0.360746  1
  Sm  Sm53  1  0.065545  0.617166  0.386103  1
  Sm  Sm54  1  0.398878  0.617166  0.386103  1
  Sm  Sm55  1  0.659634  0.054484  0.350916  1
  Sm  Sm56  1  0.992967  0.054484  0.350916  1
  Sm  Sm57  1  0.652736  0.432462  0.374069  1
  Sm  Sm58  1  0.326301  0.054484  0.350916  1
  Sm  Sm59  1  0.986069  0.432462  0.374069  1
  Sm  Sm60  1  0.645828  0.815843  0.398166  1
  Sm  Sm61  1  0.319402  0.432462  0.374069  1
  Sm  Sm62  1  0.979161  0.815843  0.398166  1
  Sm  Sm63  1  0.312494  0.815843  0.398166  1
  Sm  Sm64  1  0.813141  0.804890  0.396117  1
  Sm  Sm65  1  0.146474  0.804890  0.396117  1
  Sm  Sm66  1  0.805834  0.187215  0.419914  1
  Sm  Sm67  1  0.479808  0.804890  0.396117  1
  Sm  Sm68  1  0.139167  0.187215  0.419914  1
  Sm  Sm69  1  0.819227  0.434711  0.371276  1
  Sm  Sm70  1  0.472501  0.187215  0.419914  1
  Sm  Sm71  1  0.152560  0.434711  0.371276  1
  Sm  Sm72  1  0.485894  0.434711  0.371276  1
  Sm  Sm73  1  0.885447  0.879698  0.433071  1
  Sm  Sm74  1  0.218780  0.879698  0.433071  1
  Sm  Sm75  1  0.878493  0.256627  0.457223  1
  Sm  Sm76  1  0.552113  0.879698  0.433071  1
  Sm  Sm77  1  0.211826  0.256627  0.457223  1
  Sm  Sm78  1  0.871896  0.638026  0.481097  1
  Sm  Sm79  1  0.545159  0.256627  0.457223  1
  Sm  Sm80  1  0.205230  0.638026  0.481097  1
  Sm  Sm81  1  0.538563  0.638026  0.481097  1
  Sm  Sm82  1  0.705228  0.137335  0.480956  1
  Sm  Sm83  1  0.038561  0.137335  0.480956  1
  Sm  Sm84  1  0.718804  0.377701  0.433368  1
  Sm  Sm85  1  0.371895  0.137335  0.480956  1
  Sm  Sm86  1  0.052137  0.377701  0.433368  1
  Sm  Sm87  1  0.712046  0.758202  0.457146  1
  Sm  Sm88  1  0.385471  0.377701  0.433368  1
  Sm  Sm89  1  0.045380  0.758202  0.457146  1
  Sm  Sm90  1  0.378713  0.758202  0.457146  1
  Sm  Sm91  1  0.638439  0.193166  0.421801  1
  Sm  Sm92  1  0.971773  0.193166  0.421801  1
  Sm  Sm93  1  0.632000  0.574006  0.445692  1
  Sm  Sm94  1  0.305106  0.193166  0.421801  1
  Sm  Sm95  1  0.965333  0.574006  0.445692  1
  Sm  Sm96  1  0.624988  0.952192  0.470022  1
  Sm  Sm97  1  0.298666  0.574006  0.445692  1
  Sm  Sm98  1  0.958321  0.952192  0.470022  1
  Sm  Sm99  1  0.291655  0.952192  0.470022  1
  Sm  Sm100  1  0.792225  0.943746  0.467994  1
  Sm  Sm101  1  0.125559  0.943746  0.467994  1
  Sm  Sm102  1  0.785314  0.322613  0.492330  1
  Sm  Sm103  1  0.458892  0.943746  0.467994  1
  Sm  Sm104  1  0.118648  0.322613  0.492330  1
  Sm  Sm105  1  0.799137  0.564099  0.444260  1
  Sm  Sm106  1  0.451981  0.322613  0.492330  1
  Sm  Sm107  1  0.132470  0.564099  0.444260  1
  Sm  Sm108  1  0.465804  0.564099  0.444260  1
  Sm  Sm109  1  0.864902  0.016271  0.504754  1
  Sm  Sm110  1  0.198236  0.016271  0.504754  1
  Sm  Sm111  1  0.858306  0.397670  0.528628  1
  Sm  Sm112  1  0.531569  0.016271  0.504754  1
  Sm  Sm113  1  0.191639  0.397670  0.528628  1
  Sm  Sm114  1  0.851352  0.774600  0.552779  1
  Sm  Sm115  1  0.524973  0.397670  0.528628  1
  Sm  Sm116  1  0.184685  0.774600  0.552779  1
  Sm  Sm117  1  0.518019  0.774600  0.552779  1
  Sm  Sm118  1  0.684661  0.276596  0.552483  1
  Sm  Sm119  1  0.017995  0.276596  0.552483  1
  Sm  Sm120  1  0.698237  0.516962  0.504894  1
  Sm  Sm121  1  0.351328  0.276596  0.552483  1
  Sm  Sm122  1  0.031571  0.516962  0.504894  1
  Sm  Sm123  1  0.691419  0.896096  0.528704  1
  Sm  Sm124  1  0.364904  0.516962  0.504894  1
  Sm  Sm125  1  0.024753  0.896096  0.528704  1
  Sm  Sm126  1  0.358086  0.896096  0.528704  1
  Sm  Sm127  1  0.618151  0.331684  0.493521  1
  Sm  Sm128  1  0.951484  0.331684  0.493521  1
  Sm  Sm129  1  0.611240  0.710552  0.517857  1
  Sm  Sm130  1  0.284818  0.331684  0.493521  1
  Sm  Sm131  1  0.944573  0.710552  0.517857  1
  Sm  Sm132  1  0.604328  0.090198  0.541590  1
  Sm  Sm133  1  0.277907  0.710552  0.517857  1
  Sm  Sm134  1  0.937662  0.090198  0.541590  1
  Sm  Sm135  1  0.270995  0.090198  0.541590  1
  Sm  Sm136  1  0.771466  0.080292  0.540158  1
  Sm  Sm137  1  0.104799  0.080292  0.540158  1
  Sm  Sm138  1  0.765026  0.461131  0.564050  1
  Sm  Sm139  1  0.438132  0.080292  0.540158  1
  Sm  Sm140  1  0.098360  0.461131  0.564050  1
  Sm  Sm141  1  0.778477  0.702105  0.515828  1
  Sm  Sm142  1  0.431693  0.461131  0.564050  1
  Sm  Sm143  1  0.111811  0.702105  0.515828  1
  Sm  Sm144  1  0.445144  0.702105  0.515828  1
  Sm  Sm145  1  0.844244  0.157765  0.575454  1
  Sm  Sm146  1  0.177577  0.157765  0.575454  1
  Sm  Sm147  1  0.838246  0.534137  0.601134  1
  Sm  Sm148  1  0.510911  0.157765  0.575454  1
  Sm  Sm149  1  0.171580  0.534137  0.601134  1
  Sm  Sm150  1  0.831194  0.914699  0.622930  1
  Sm  Sm151  1  0.504913  0.534137  0.601134  1
  Sm  Sm152  1  0.164527  0.914699  0.622930  1
  Sm  Sm153  1  0.497860  0.914699  0.622930  1
  Sm  Sm154  1  0.664210  0.410260  0.625105  1
  Sm  Sm155  1  0.997543  0.410260  0.625105  1
  Sm  Sm156  1  0.677042  0.653709  0.576655  1
  Sm  Sm157  1  0.330877  0.410260  0.625105  1
  Sm  Sm158  1  0.010375  0.653709  0.576655  1
  Sm  Sm159  1  0.671254  0.037131  0.599747  1
  Sm  Sm160  1  0.343709  0.653709  0.576655  1
  Sm  Sm161  1  0.004587  0.037131  0.599747  1
  Sm  Sm162  1  0.337920  0.037131  0.599747  1
  Sm  Sm163  1  0.597632  0.467082  0.565937  1
  Sm  Sm164  1  0.930965  0.467082  0.565937  1
  Sm  Sm165  1  0.590325  0.849408  0.589734  1
  Sm  Sm166  1  0.264298  0.467082  0.565937  1
  Sm  Sm167  1  0.923658  0.849408  0.589734  1
  Sm  Sm168  1  0.584239  0.219587  0.614574  1
  Sm  Sm169  1  0.256991  0.849408  0.589734  1
  Sm  Sm170  1  0.917572  0.219587  0.614574  1
  Sm  Sm171  1  0.250905  0.219587  0.614574  1
  Sm  Sm172  1  0.750730  0.221835  0.611781  1
  Sm  Sm173  1  0.084063  0.221835  0.611781  1
  Sm  Sm174  1  0.743832  0.599814  0.634935  1
  Sm  Sm175  1  0.417396  0.221835  0.611781  1
  Sm  Sm176  1  0.077165  0.599814  0.634935  1
  Sm  Sm177  1  0.757638  0.838455  0.587685  1
  Sm  Sm178  1  0.410498  0.599814  0.634935  1
  Sm  Sm179  1  0.090971  0.838455  0.587685  1
  Sm  Sm180  1  0.424305  0.838455  0.587685  1
  Sm  Sm181  1  0.823208  0.290438  0.646362  1
  Sm  Sm182  1  0.156541  0.290438  0.646362  1
  Sm  Sm183  1  0.818057  0.669908  0.673850  1
  Sm  Sm184  1  0.489875  0.290438  0.646362  1
  Sm  Sm185  1  0.151390  0.669908  0.673850  1
  Sm  Sm186  1  0.813321  0.045671  0.696678  1
  Sm  Sm187  1  0.484724  0.669908  0.673850  1
  Sm  Sm188  1  0.146654  0.045671  0.696678  1
  Sm  Sm189  1  0.479987  0.045671  0.696678  1
  Sm  Sm190  1  0.638711  0.565799  0.695055  1
  Sm  Sm191  1  0.972044  0.565799  0.695055  1
  Sm  Sm192  1  0.658466  0.797381  0.646632  1
  Sm  Sm193  1  0.305377  0.565799  0.695055  1
  Sm  Sm194  1  0.991800  0.797381  0.646632  1
  Sm  Sm195  1  0.652824  0.166259  0.674405  1
  Sm  Sm196  1  0.325133  0.797381  0.646632  1
  Sm  Sm197  1  0.986157  0.166259  0.674405  1
  Sm  Sm198  1  0.319491  0.166259  0.674405  1
  Sm  Sm199  1  0.577467  0.603223  0.637252  1
  Sm  Sm200  1  0.910800  0.603223  0.637252  1
  Sm  Sm201  1  0.570570  0.969245  0.666012  1
  Sm  Sm202  1  0.244134  0.603223  0.637252  1
  Sm  Sm203  1  0.903904  0.969245  0.666012  1
  Sm  Sm204  1  0.560689  0.357796  0.686311  1
  Sm  Sm205  1  0.237237  0.969245  0.666012  1
  Sm  Sm206  1  0.894023  0.357796  0.686311  1
  Sm  Sm207  1  0.227356  0.357796  0.686311  1
  Sm  Sm208  1  0.733661  0.361382  0.685125  1
  Sm  Sm209  1  0.066995  0.361382  0.685125  1
  Sm  Sm210  1  0.722942  0.748201  0.706391  1
  Sm  Sm211  1  0.400328  0.361382  0.685125  1
  Sm  Sm212  1  0.056275  0.748201  0.706391  1
  Sm  Sm213  1  0.739442  0.982278  0.657429  1
  Sm  Sm214  1  0.389609  0.748201  0.706391  1
  Sm  Sm215  1  0.072775  0.982278  0.657429  1
  Sm  Sm216  1  0.406109  0.982278  0.657429  1
