# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.26028949
_cell_length_b   10.36265151
_cell_length_c   47.19409539
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.57411672
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm216
_cell_volume   17717.4184211
_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  0.757148  0.860795  0.304443  1
  Sm  Sm2  1  0.086859  0.870847  0.330101  1
  Sm  Sm3  1  0.422154  0.884547  0.351154  1
  Sm  Sm4  1  0.420192  0.537514  0.330101  1
  Sm  Sm5  1  0.755488  0.551214  0.351154  1
  Sm  Sm6  1  0.753526  0.204180  0.330101  1
  Sm  Sm7  1  0.090481  0.527462  0.304443  1
  Sm  Sm8  1  0.423814  0.194128  0.304443  1
  Sm  Sm9  1  0.088821  0.217881  0.351154  1
  Sm  Sm10  1  0.925365  0.888272  0.353608  1
  Sm  Sm11  1  0.248741  0.847504  0.306942  1
  Sm  Sm12  1  0.587871  0.868546  0.329664  1
  Sm  Sm13  1  0.582074  0.514170  0.306942  1
  Sm  Sm14  1  0.921204  0.535213  0.329664  1
  Sm  Sm15  1  0.915408  0.180837  0.306942  1
  Sm  Sm16  1  0.258698  0.554939  0.353608  1
  Sm  Sm17  1  0.592031  0.221606  0.353608  1
  Sm  Sm18  1  0.254538  0.201880  0.329664  1
  Sm  Sm19  1  1.000299  0.006317  0.299734  1
  Sm  Sm20  1  0.337411  0.023109  0.321601  1
  Sm  Sm21  1  0.674718  0.035733  0.345700  1
  Sm  Sm22  1  0.670744  0.689775  0.321601  1
  Sm  Sm23  1  0.008051  0.702399  0.345700  1
  Sm  Sm24  1  0.004078  0.356442  0.321601  1
  Sm  Sm25  1  0.333632  0.672984  0.299734  1
  Sm  Sm26  1  0.666966  0.339651  0.299734  1
  Sm  Sm27  1  0.341385  0.369066  0.345700  1
  Sm  Sm28  1  0.838590  0.715023  0.335252  1
  Sm  Sm29  1  0.174237  0.731313  0.355942  1
  Sm  Sm30  1  0.498761  0.704086  0.309722  1
  Sm  Sm31  1  0.507570  0.397980  0.355942  1
  Sm  Sm32  1  0.832095  0.370753  0.309722  1
  Sm  Sm33  1  0.840903  0.064646  0.355942  1
  Sm  Sm34  1  0.171923  0.381690  0.335252  1
  Sm  Sm35  1  0.505256  0.048357  0.335252  1
  Sm  Sm36  1  0.165428  0.037419  0.309722  1
  Sm  Sm37  1  0.761954  0.901220  0.378167  1
  Sm  Sm38  1  0.103141  0.922511  0.400947  1
  Sm  Sm39  1  0.443011  0.939523  0.423503  1
  Sm  Sm40  1  0.436475  0.589177  0.400947  1
  Sm  Sm41  1  0.776344  0.606190  0.423503  1
  Sm  Sm42  1  0.769808  0.255844  0.400947  1
  Sm  Sm43  1  0.095288  0.567887  0.378167  1
  Sm  Sm44  1  0.428621  0.234554  0.378167  1
  Sm  Sm45  1  0.109677  0.272856  0.423503  1
  Sm  Sm46  1  0.942883  0.939965  0.425171  1
  Sm  Sm47  1  0.262475  0.906025  0.377467  1
  Sm  Sm48  1  0.602236  0.924534  0.400954  1
  Sm  Sm49  1  0.595809  0.572691  0.377467  1
  Sm  Sm50  1  0.935569  0.591200  0.400954  1
  Sm  Sm51  1  0.929142  0.239358  0.377467  1
  Sm  Sm52  1  0.276216  0.606632  0.425171  1
  Sm  Sm53  1  0.609550  0.273299  0.425171  1
  Sm  Sm54  1  0.268902  0.257867  0.400954  1
  Sm  Sm55  1  0.011071  0.059388  0.371753  1
  Sm  Sm56  1  0.350308  0.076113  0.394707  1
  Sm  Sm57  1  0.690915  0.095638  0.417827  1
  Sm  Sm58  1  0.683642  0.742779  0.394707  1
  Sm  Sm59  1  0.024248  0.762305  0.417827  1
  Sm  Sm60  1  0.016975  0.409446  0.394707  1
  Sm  Sm61  1  0.344404  0.726055  0.371753  1
  Sm  Sm62  1  0.677738  0.392722  0.371753  1
  Sm  Sm63  1  0.357581  0.428972  0.417827  1
  Sm  Sm64  1  0.854888  0.768665  0.406062  1
  Sm  Sm65  1  0.194045  0.783172  0.429083  1
  Sm  Sm66  1  0.514759  0.748623  0.381338  1
  Sm  Sm67  1  0.527378  0.449838  0.429083  1
  Sm  Sm68  1  0.848093  0.415289  0.381338  1
  Sm  Sm69  1  0.860711  0.116505  0.429083  1
  Sm  Sm70  1  0.188221  0.435332  0.406062  1
  Sm  Sm71  1  0.521554  0.101999  0.406062  1
  Sm  Sm72  1  0.181426  0.081956  0.381338  1
  Sm  Sm73  1  0.782427  0.958117  0.448092  1
  Sm  Sm74  1  0.121712  0.975323  0.471494  1
  Sm  Sm75  1  0.460880  0.992362  0.495097  1
  Sm  Sm76  1  0.455045  0.641989  0.471494  1
  Sm  Sm77  1  0.794213  0.659029  0.495097  1
  Sm  Sm78  1  0.788379  0.308656  0.471494  1
  Sm  Sm79  1  0.115760  0.624784  0.448092  1
  Sm  Sm80  1  0.449094  0.291451  0.448092  1
  Sm  Sm81  1  0.127546  0.325695  0.495097  1
  Sm  Sm82  1  0.960752  0.992475  0.495510  1
  Sm  Sm83  1  0.282165  0.956785  0.447875  1
  Sm  Sm84  1  0.621855  0.974088  0.471501  1
  Sm  Sm85  1  0.615499  0.623452  0.447875  1
  Sm  Sm86  1  0.955188  0.640755  0.471501  1
  Sm  Sm87  1  0.948832  0.290119  0.447875  1
  Sm  Sm88  1  0.294085  0.659142  0.495510  1
  Sm  Sm89  1  0.627418  0.325809  0.495510  1
  Sm  Sm90  1  0.288522  0.307422  0.471501  1
  Sm  Sm91  1  0.030884  0.113365  0.442277  1
  Sm  Sm92  1  0.370484  0.131054  0.465456  1
  Sm  Sm93  1  0.709391  0.149016  0.489483  1
  Sm  Sm94  1  0.703817  0.797720  0.465456  1
  Sm  Sm95  1  0.042724  0.815683  0.489483  1
  Sm  Sm96  1  0.037150  0.464387  0.465456  1
  Sm  Sm97  1  0.364218  0.780031  0.442277  1
  Sm  Sm98  1  0.697551  0.446698  0.442277  1
  Sm  Sm99  1  0.376057  0.482350  0.489483  1
  Sm  Sm100  1  0.872891  0.818193  0.477177  1
  Sm  Sm101  1  0.212026  0.835952  0.500757  1
  Sm  Sm102  1  0.533340  0.800790  0.453026  1
  Sm  Sm103  1  0.545359  0.502619  0.500757  1
  Sm  Sm104  1  0.866673  0.467457  0.453026  1
  Sm  Sm105  1  0.878692  0.169286  0.500757  1
  Sm  Sm106  1  0.206225  0.484860  0.477177  1
  Sm  Sm107  1  0.539558  0.151527  0.477177  1
  Sm  Sm108  1  0.200007  0.134123  0.453026  1
  Sm  Sm109  1  0.799917  0.010243  0.519052  1
  Sm  Sm110  1  0.139085  0.027282  0.542656  1
  Sm  Sm111  1  0.478370  0.044488  0.566057  1
  Sm  Sm112  1  0.472418  0.693949  0.542656  1
  Sm  Sm113  1  0.811704  0.711154  0.566057  1
  Sm  Sm114  1  0.805752  0.360616  0.542656  1
  Sm  Sm115  1  0.133251  0.676910  0.519052  1
  Sm  Sm116  1  0.466584  0.343576  0.519052  1
  Sm  Sm117  1  0.145037  0.377821  0.566057  1
  Sm  Sm118  1  0.978632  0.045820  0.566274  1
  Sm  Sm119  1  0.300045  0.010129  0.518639  1
  Sm  Sm120  1  0.638942  0.028517  0.542648  1
  Sm  Sm121  1  0.633379  0.676796  0.518639  1
  Sm  Sm122  1  0.972275  0.695183  0.542648  1
  Sm  Sm123  1  0.966712  0.343463  0.518639  1
  Sm  Sm124  1  0.311965  0.712486  0.566274  1
  Sm  Sm125  1  0.645298  0.379153  0.566274  1
  Sm  Sm126  1  0.305609  0.361850  0.542648  1
  Sm  Sm127  1  0.048772  0.166653  0.513392  1
  Sm  Sm128  1  0.387906  0.184412  0.536972  1
  Sm  Sm129  1  0.727457  0.201815  0.561123  1
  Sm  Sm130  1  0.721239  0.851078  0.536972  1
  Sm  Sm131  1  0.060790  0.868482  0.561123  1
  Sm  Sm132  1  0.054572  0.517745  0.536972  1
  Sm  Sm133  1  0.382105  0.833319  0.513392  1
  Sm  Sm134  1  0.715438  0.499986  0.513392  1
  Sm  Sm135  1  0.394124  0.535148  0.561123  1
  Sm  Sm136  1  0.890313  0.871551  0.548693  1
  Sm  Sm137  1  0.229913  0.889240  0.571872  1
  Sm  Sm138  1  0.551406  0.853589  0.524666  1
  Sm  Sm139  1  0.563246  0.555907  0.571872  1
  Sm  Sm140  1  0.884740  0.520255  0.524666  1
  Sm  Sm141  1  0.896579  0.222574  0.571872  1
  Sm  Sm142  1  0.223647  0.538218  0.548693  1
  Sm  Sm143  1  0.556980  0.204884  0.548693  1
  Sm  Sm144  1  0.218073  0.186922  0.524666  1
  Sm  Sm145  1  0.817786  0.063082  0.590646  1
  Sm  Sm146  1  0.157656  0.080094  0.613202  1
  Sm  Sm147  1  0.498843  0.101384  0.635983  1
  Sm  Sm148  1  0.490989  0.746761  0.613202  1
  Sm  Sm149  1  0.832176  0.768051  0.635983  1
  Sm  Sm150  1  0.824323  0.413428  0.613202  1
  Sm  Sm151  1  0.151120  0.729748  0.590646  1
  Sm  Sm152  1  0.484453  0.396415  0.590646  1
  Sm  Sm153  1  0.165509  0.434718  0.635983  1
  Sm  Sm154  1  0.998322  0.096580  0.636682  1
  Sm  Sm155  1  0.317914  0.062640  0.588978  1
  Sm  Sm156  1  0.658561  0.078071  0.613195  1
  Sm  Sm157  1  0.651247  0.729306  0.588978  1
  Sm  Sm158  1  0.991895  0.744738  0.613195  1
  Sm  Sm159  1  0.984581  0.395973  0.588978  1
  Sm  Sm160  1  0.331655  0.763247  0.636682  1
  Sm  Sm161  1  0.664988  0.429913  0.636682  1
  Sm  Sm162  1  0.325228  0.411405  0.613195  1
  Sm  Sm163  1  0.066752  0.219433  0.585066  1
  Sm  Sm164  1  0.405909  0.233939  0.608087  1
  Sm  Sm165  1  0.746038  0.253982  0.632812  1
  Sm  Sm166  1  0.739243  0.900606  0.608087  1
  Sm  Sm167  1  0.079371  0.920649  0.632812  1
  Sm  Sm168  1  0.072576  0.567273  0.608087  1
  Sm  Sm169  1  0.400086  0.886100  0.585066  1
  Sm  Sm170  1  0.733419  0.552767  0.585066  1
  Sm  Sm171  1  0.412705  0.587316  0.632812  1
  Sm  Sm172  1  0.910489  0.926492  0.619442  1
  Sm  Sm173  1  0.249726  0.943217  0.642397  1
  Sm  Sm174  1  0.569883  0.906967  0.596322  1
  Sm  Sm175  1  0.583059  0.609883  0.642397  1
  Sm  Sm176  1  0.903216  0.573633  0.596322  1
  Sm  Sm177  1  0.916393  0.276550  0.642397  1
  Sm  Sm178  1  0.243822  0.593159  0.619442  1
  Sm  Sm179  1  0.577156  0.259825  0.619442  1
  Sm  Sm180  1  0.236549  0.240300  0.596322  1
  Sm  Sm181  1  0.838643  0.118058  0.662995  1
  Sm  Sm182  1  0.173938  0.131758  0.684048  1
  Sm  Sm183  1  0.503650  0.141810  0.709706  1
  Sm  Sm184  1  0.507271  0.798425  0.684048  1
  Sm  Sm185  1  0.836983  0.808477  0.709706  1
  Sm  Sm186  1  0.840605  0.465091  0.684048  1
  Sm  Sm187  1  0.171976  0.784724  0.662995  1
  Sm  Sm188  1  0.505310  0.451391  0.662995  1
  Sm  Sm189  1  0.170316  0.475143  0.709706  1
  Sm  Sm190  1  0.012056  0.155101  0.707207  1
  Sm  Sm191  1  0.335433  0.114333  0.660541  1
  Sm  Sm192  1  0.672926  0.134058  0.684485  1
  Sm  Sm193  1  0.668766  0.780999  0.660541  1
  Sm  Sm194  1  0.006259  0.800725  0.684485  1
  Sm  Sm195  1  0.002099  0.447666  0.660541  1
  Sm  Sm196  1  0.345389  0.821768  0.707207  1
  Sm  Sm197  1  0.678723  0.488434  0.707207  1
  Sm  Sm198  1  0.339593  0.467392  0.684485  1
  Sm  Sm199  1  0.086561  0.271292  0.658208  1
  Sm  Sm200  1  0.422208  0.287582  0.678898  1
  Sm  Sm201  1  0.762036  0.298519  0.704427  1
  Sm  Sm202  1  0.755541  0.954248  0.678898  1
  Sm  Sm203  1  0.095369  0.965186  0.704427  1
  Sm  Sm204  1  0.088874  0.620915  0.678898  1
  Sm  Sm205  1  0.419894  0.937959  0.658208  1
  Sm  Sm206  1  0.753227  0.604625  0.658208  1
  Sm  Sm207  1  0.428702  0.631852  0.704427  1
  Sm  Sm208  1  0.923386  0.979496  0.692548  1
  Sm  Sm209  1  0.260498  -0.003712  0.714415  1
  Sm  Sm210  1  0.586079  0.966872  0.668450  1
  Sm  Sm211  1  0.593831  0.662954  0.714415  1
  Sm  Sm212  1  0.919412  0.633539  0.668450  1
  Sm  Sm213  1  0.927165  0.329621  0.714415  1
  Sm  Sm214  1  0.256720  0.646163  0.692548  1
  Sm  Sm215  1  0.590053  0.312830  0.692548  1
  Sm  Sm216  1  0.252746  0.300206  0.668450  1
