# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   31.63655756
_cell_length_b   26.25674525
_cell_length_c   48.78129322
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.22380732
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm432
_cell_volume   33897.5593658
_cell_formula_units_Z   432
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  0.748424  0.390066  0.285198  1
  Sm  Sm2  1  0.614096  0.300768  0.308513  1
  Sm  Sm3  1  0.407394  0.072325  0.284173  1
  Sm  Sm4  1  0.247455  0.387961  0.284906  1
  Sm  Sm5  1  0.280455  0.960384  0.308813  1
  Sm  Sm6  1  0.113505  0.301692  0.308562  1
  Sm  Sm7  1  0.076840  0.738774  0.284213  1
  Sm  Sm8  1  0.912945  0.054159  0.284684  1
  Sm  Sm9  1  0.949407  0.627008  0.308319  1
  Sm  Sm10  1  0.779851  0.967687  0.308529  1
  Sm  Sm11  1  0.579985  0.720936  0.284752  1
  Sm  Sm12  1  0.447502  0.632872  0.308202  1
  Sm  Sm13  1  0.798051  0.261510  0.311811  1
  Sm  Sm14  1  0.599137  0.023090  0.295234  1
  Sm  Sm15  1  0.468998  0.917859  0.316836  1
  Sm  Sm16  1  0.224339  0.123126  0.269753  1
  Sm  Sm17  1  0.267780  0.691884  0.294362  1
  Sm  Sm18  1  0.097662  0.020153  0.295831  1
  Sm  Sm19  1  0.138135  0.587207  0.316936  1
  Sm  Sm20  1  0.891125  0.790643  0.269562  1
  Sm  Sm21  1  0.934115  0.355768  0.296085  1
  Sm  Sm22  1  0.763789  0.685893  0.295536  1
  Sm  Sm23  1  0.631591  0.593916  0.312362  1
  Sm  Sm24  1  0.434562  0.356139  0.295982  1
  Sm  Sm25  1  0.673798  0.956287  0.272427  1
  Sm  Sm26  1  0.547038  0.845753  0.295314  1
  Sm  Sm27  1  0.340592  0.621611  0.272329  1
  Sm  Sm28  1  0.172829  0.950479  0.272492  1
  Sm  Sm29  1  0.213490  0.512461  0.295307  1
  Sm  Sm30  1  0.043157  0.852785  0.294984  1
  Sm  Sm31  1  0.007057  0.288339  0.272257  1
  Sm  Sm32  1  0.843022  0.622157  0.272255  1
  Sm  Sm33  1  0.880407  0.180625  0.295292  1
  Sm  Sm34  1  0.714670  0.514170  0.295117  1
  Sm  Sm35  1  0.503760  0.279831  0.272916  1
  Sm  Sm36  1  0.375328  0.186781  0.295348  1
  Sm  Sm37  1  0.869282  0.432275  0.312920  1
  Sm  Sm38  1  0.656633  0.200260  0.289691  1
  Sm  Sm39  1  0.526368  0.091656  0.313893  1
  Sm  Sm40  1  0.366830  0.430668  0.314108  1
  Sm  Sm41  1  0.331612  0.871243  0.288672  1
  Sm  Sm42  1  0.158846  0.203095  0.288290  1
  Sm  Sm43  1  0.196263  0.761368  0.313267  1
  Sm  Sm44  1  0.031680  0.095705  0.314123  1
  Sm  Sm45  1  1.004293  0.537442  0.288877  1
  Sm  Sm46  1  0.825644  0.869495  0.288183  1
  Sm  Sm47  1  0.698720  0.763760  0.313943  1
  Sm  Sm48  1  0.494935  0.535974  0.288762  1
  Sm  Sm49  1  0.824471  0.523078  0.333750  1
  Sm  Sm50  1  0.702352  0.425151  0.357131  1
  Sm  Sm51  1  0.489751  0.188360  0.334492  1
  Sm  Sm52  1  0.322115  0.521769  0.333654  1
  Sm  Sm53  1  0.369826  0.092111  0.358075  1
  Sm  Sm54  1  0.201974  0.423357  0.357504  1
  Sm  Sm55  1  0.157157  0.858132  0.334567  1
  Sm  Sm56  1  0.988980  0.186348  0.333428  1
  Sm  Sm57  1  0.036729  0.758275  0.357758  1
  Sm  Sm58  1  0.868122  0.091846  0.357336  1
  Sm  Sm59  1  0.654823  0.854090  0.333645  1
  Sm  Sm60  1  0.535268  0.755761  0.357538  1
  Sm  Sm61  1  0.891862  0.367075  0.369776  1
  Sm  Sm62  1  0.682886  0.142070  0.347646  1
  Sm  Sm63  1  0.559561  0.034324  0.369716  1
  Sm  Sm64  1  0.298617  0.262939  0.312954  1
  Sm  Sm65  1  0.348712  0.807614  0.347720  1
  Sm  Sm66  1  0.185031  0.141545  0.346183  1
  Sm  Sm67  1  0.225835  0.700961  0.369886  1
  Sm  Sm68  1  0.964523  0.928134  0.313333  1
  Sm  Sm69  1  0.015920  0.474252  0.348632  1
  Sm  Sm70  1  0.851209  0.807643  0.346166  1
  Sm  Sm71  1  0.727161  0.701796  0.369233  1
  Sm  Sm72  1  0.517231  0.475609  0.347782  1
  Sm  Sm73  1  0.755848  0.087880  0.319548  1
  Sm  Sm74  1  0.642024  0.973099  0.346744  1
  Sm  Sm75  1  0.422161  0.750275  0.319986  1
  Sm  Sm76  1  0.261561  0.079030  0.323688  1
  Sm  Sm77  1  0.307117  0.639088  0.346711  1
  Sm  Sm78  1  0.145317  0.976652  0.346738  1
  Sm  Sm79  1  0.088113  0.420328  0.319249  1
  Sm  Sm80  1  0.928226  0.745930  0.323731  1
  Sm  Sm81  1  0.977198  0.305750  0.347436  1
  Sm  Sm82  1  0.811367  0.641850  0.346220  1
  Sm  Sm83  1  0.589226  0.419770  0.318870  1
  Sm  Sm84  1  0.478218  0.307608  0.347805  1
  Sm  Sm85  1  0.941025  0.536834  0.368232  1
  Sm  Sm86  1  0.729086  0.313065  0.346488  1
  Sm  Sm87  1  0.604886  0.203072  0.367741  1
  Sm  Sm88  1  0.438657  0.537854  0.368282  1
  Sm  Sm89  1  0.396922  0.980091  0.345017  1
  Sm  Sm90  1  0.228528  0.312614  0.346757  1
  Sm  Sm91  1  0.273082  0.869628  0.368029  1
  Sm  Sm92  1  0.105675  0.203904  0.367843  1
  Sm  Sm93  1  0.065306  0.647830  0.345005  1
  Sm  Sm94  1  0.894493  0.979367  0.346724  1
  Sm  Sm95  1  0.772131  0.870349  0.367848  1
  Sm  Sm96  1  0.562341  0.645523  0.346768  1
  Sm  Sm97  1  0.920744  0.647495  0.383094  1
  Sm  Sm98  1  0.799639  0.548404  0.407292  1
  Sm  Sm99  1  0.587582  0.316603  0.382585  1
  Sm  Sm100  1  0.419217  0.650753  0.382226  1
  Sm  Sm101  1  0.466465  0.214585  0.407618  1
  Sm  Sm102  1  0.299893  0.547748  0.407541  1
  Sm  Sm103  1  0.254230  0.981270  0.383680  1
  Sm  Sm104  1  0.086575  0.317000  0.382326  1
  Sm  Sm105  1  0.132723  0.881417  0.407611  1
  Sm  Sm106  1  0.966075  0.214221  0.407429  1
  Sm  Sm107  1  0.752831  0.982700  0.382253  1
  Sm  Sm108  1  0.633014  0.881201  0.407508  1
  Sm  Sm109  1  0.989373  0.494511  0.420109  1
  Sm  Sm110  1  0.776035  0.263650  0.396047  1
  Sm  Sm111  1  0.655832  0.162291  0.419379  1
  Sm  Sm112  1  0.393871  0.368983  0.370235  1
  Sm  Sm113  1  0.442944  0.930960  0.396157  1
  Sm  Sm114  1  0.277026  0.264182  0.395650  1
  Sm  Sm115  1  0.322918  0.828592  0.419797  1
  Sm  Sm116  1  0.061490  0.035924  0.369968  1
  Sm  Sm117  1  0.109469  0.597281  0.396628  1
  Sm  Sm118  1  0.943742  0.931073  0.395307  1
  Sm  Sm119  1  0.823583  0.829426  0.418832  1
  Sm  Sm120  1  0.611049  0.597975  0.396059  1
  Sm  Sm121  1  0.853189  0.208959  0.367447  1
  Sm  Sm122  1  0.735705  0.098141  0.396757  1
  Sm  Sm123  1  0.521295  0.872861  0.369218  1
  Sm  Sm124  1  0.354692  0.210035  0.368574  1
  Sm  Sm125  1  0.402972  0.766377  0.396134  1
  Sm  Sm126  1  0.236535  0.098575  0.397377  1
  Sm  Sm127  1  0.187494  0.539349  0.369602  1
  Sm  Sm128  1  0.021897  0.876592  0.368309  1
  Sm  Sm129  1  0.070108  0.432693  0.396664  1
  Sm  Sm130  1  0.903258  0.764966  0.396987  1
  Sm  Sm131  1  0.687451  0.542233  0.367188  1
  Sm  Sm132  1  0.570219  0.432332  0.396889  1
  Sm  Sm133  1  0.032567  0.662233  0.418519  1
  Sm  Sm134  1  0.818996  0.433344  0.393289  1
  Sm  Sm135  1  0.698823  0.328783  0.418733  1
  Sm  Sm136  1  0.532253  0.662186  0.418911  1
  Sm  Sm137  1  0.485880  0.099409  0.393801  1
  Sm  Sm138  1  0.319026  0.433121  0.393433  1
  Sm  Sm139  1  0.365751  0.995536  0.418607  1
  Sm  Sm140  1  0.199048  0.328632  0.419004  1
  Sm  Sm141  1  0.152690  0.766587  0.393814  1
  Sm  Sm142  1  0.985721  0.099650  0.393285  1
  Sm  Sm143  1  0.865526  0.995723  0.418754  1
  Sm  Sm144  1  0.652596  0.766456  0.393370  1
  Sm  Sm145  1  0.013519  0.776927  0.432268  1
  Sm  Sm146  1  0.893508  0.672219  0.457211  1
  Sm  Sm147  1  0.680294  0.443965  0.431698  1
  Sm  Sm148  1  0.513030  0.776718  0.432083  1
  Sm  Sm149  1  0.560329  0.339235  0.457300  1
  Sm  Sm150  1  0.393357  0.672793  0.457256  1
  Sm  Sm151  1  0.346775  0.110434  0.432545  1
  Sm  Sm152  1  0.179788  0.443097  0.432171  1
  Sm  Sm153  1  0.226681  0.005565  0.457529  1
  Sm  Sm154  1  0.059932  0.339066  0.457376  1
  Sm  Sm155  1  0.846136  0.110426  0.431766  1
  Sm  Sm156  1  0.726580  0.005712  0.457337  1
  Sm  Sm157  1  0.082938  0.620216  0.469725  1
  Sm  Sm158  1  0.869778  0.391563  0.444729  1
  Sm  Sm159  1  0.749644  0.286573  0.469549  1
  Sm  Sm160  1  0.490231  0.496610  0.419323  1
  Sm  Sm161  1  0.536647  0.057952  0.444894  1
  Sm  Sm162  1  0.370451  0.392249  0.444815  1
  Sm  Sm163  1  0.416187  0.953522  0.469703  1
  Sm  Sm164  1  0.156926  0.163000  0.418994  1
  Sm  Sm165  1  0.203478  0.724720  0.444880  1
  Sm  Sm166  1  0.037254  0.058708  0.444566  1
  Sm  Sm167  1  0.916929  0.953791  0.469312  1
  Sm  Sm168  1  0.704166  0.725564  0.444572  1
  Sm  Sm169  1  0.948216  0.330346  0.419998  1
  Sm  Sm170  1  0.829198  0.225951  0.445287  1
  Sm  Sm171  1  0.614809  0.997072  0.420300  1
  Sm  Sm172  1  0.448757  0.331212  0.420449  1
  Sm  Sm173  1  0.495925  0.892539  0.445596  1
  Sm  Sm174  1  0.329655  0.226454  0.445539  1
  Sm  Sm175  1  0.281962  0.663928  0.420282  1
  Sm  Sm176  1  0.115240  0.997505  0.420465  1
  Sm  Sm177  1  0.162861  0.559282  0.445878  1
  Sm  Sm178  1  0.996138  0.892818  0.445222  1
  Sm  Sm179  1  0.781558  0.663863  0.419848  1
  Sm  Sm180  1  0.663197  0.559547  0.445266  1
  Sm  Sm181  1  0.124812  0.786284  0.468559  1
  Sm  Sm182  1  0.911870  0.556821  0.443564  1
  Sm  Sm183  1  0.791363  0.452947  0.468233  1
  Sm  Sm184  1  0.625086  0.786487  0.468312  1
  Sm  Sm185  1  0.578289  0.223813  0.443367  1
  Sm  Sm186  1  0.411825  0.557757  0.443357  1
  Sm  Sm187  1  0.458138  0.119664  0.468515  1
  Sm  Sm188  1  0.291726  0.453173  0.468427  1
  Sm  Sm189  1  0.245155  0.890179  0.443758  1
  Sm  Sm190  1  0.078273  0.224175  0.443090  1
  Sm  Sm191  1  0.958246  0.119749  0.468133  1
  Sm  Sm192  1  0.745123  0.890770  0.443185  1
  Sm  Sm193  1  0.106340  0.901815  0.481818  1
  Sm  Sm194  1  0.986845  0.797825  0.506893  1
  Sm  Sm195  1  0.773189  0.568690  0.481519  1
  Sm  Sm196  1  0.606573  0.901753  0.481804  1
  Sm  Sm197  1  0.653687  0.464504  0.506755  1
  Sm  Sm198  1  0.487054  0.798230  0.506888  1
  Sm  Sm199  1  0.439873  0.235345  0.481757  1
  Sm  Sm200  1  0.273435  0.568488  0.481730  1
  Sm  Sm201  1  0.320122  0.131194  0.507057  1
  Sm  Sm202  1  0.153732  0.464643  0.507031  1
  Sm  Sm203  1  0.939573  0.235138  0.481527  1
  Sm  Sm204  1  0.820005  0.131250  0.506916  1
  Sm  Sm205  1  0.176450  0.745858  0.519381  1
  Sm  Sm206  1  0.963162  0.516103  0.494712  1
  Sm  Sm207  1  0.842898  0.412588  0.519059  1
  Sm  Sm208  1  0.583841  0.620652  0.469589  1
  Sm  Sm209  1  0.629684  0.182854  0.494510  1
  Sm  Sm210  1  0.463497  0.516998  0.494255  1
  Sm  Sm211  1  0.509573  0.079119  0.519305  1
  Sm  Sm212  1  0.250498  0.287173  0.469575  1
  Sm  Sm213  1  0.296364  0.849629  0.494653  1
  Sm  Sm214  1  0.130206  0.183782  0.493910  1
  Sm  Sm215  1  0.010458  0.079500  0.518915  1
  Sm  Sm216  1  0.796923  0.850358  0.493989  1
  Sm  Sm217  1  0.042134  0.454971  0.470496  1
  Sm  Sm218  1  0.921910  0.350711  0.495314  1
  Sm  Sm219  1  0.708495  0.121660  0.470342  1
  Sm  Sm220  1  0.542319  0.455467  0.470314  1
  Sm  Sm221  1  0.588633  0.017251  0.495539  1
  Sm  Sm222  1  0.422109  0.350974  0.495504  1
  Sm  Sm223  1  0.375437  0.788561  0.470419  1
  Sm  Sm224  1  0.208772  0.122031  0.470444  1
  Sm  Sm225  1  0.255466  0.684024  0.495532  1
  Sm  Sm226  1  0.088604  0.017489  0.495458  1
  Sm  Sm227  1  0.875339  0.788433  0.470153  1
  Sm  Sm228  1  0.755473  0.684235  0.495315  1
  Sm  Sm229  1  0.217776  0.911254  0.518381  1
  Sm  Sm230  1  1.004657  0.682265  0.493165  1
  Sm  Sm231  1  0.884595  0.577779  0.518242  1
  Sm  Sm232  1  0.718138  0.911357  0.518317  1
  Sm  Sm233  1  0.671379  0.348954  0.493039  1
  Sm  Sm234  1  0.504932  0.682643  0.493251  1
  Sm  Sm235  1  0.551275  0.244327  0.518214  1
  Sm  Sm236  1  0.384946  0.578239  0.518305  1
  Sm  Sm237  1  0.337978  0.015621  0.493332  1
  Sm  Sm238  1  0.171400  0.349024  0.493289  1
  Sm  Sm239  1  0.051116  0.244607  0.518140  1
  Sm  Sm240  1  0.837969  0.015914  0.493032  1
  Sm  Sm241  1  0.199747  0.027582  0.531435  1
  Sm  Sm242  1  0.079806  0.922729  0.556415  1
  Sm  Sm243  1  0.866535  0.694101  0.531194  1
  Sm  Sm244  1  0.700121  0.026918  0.531496  1
  Sm  Sm245  1  0.746514  0.589262  0.556267  1
  Sm  Sm246  1  0.580456  0.922959  0.556787  1
  Sm  Sm247  1  0.533261  0.360698  0.531175  1
  Sm  Sm248  1  0.366958  0.694454  0.531337  1
  Sm  Sm249  1  0.412942  0.255834  0.556505  1
  Sm  Sm250  1  0.247172  0.589539  0.556482  1
  Sm  Sm251  1  0.033374  0.360540  0.531279  1
  Sm  Sm252  1  0.913621  0.256419  0.556534  1
  Sm  Sm253  1  0.269434  0.870396  0.569631  1
  Sm  Sm254  1  0.056016  0.641179  0.543993  1
  Sm  Sm255  1  0.936424  0.536610  0.569678  1
  Sm  Sm256  1  0.677315  0.746257  0.519100  1
  Sm  Sm257  1  0.722834  0.307468  0.543865  1
  Sm  Sm258  1  0.556902  0.641881  0.543949  1
  Sm  Sm259  1  0.603034  0.202906  0.569667  1
  Sm  Sm260  1  0.343770  0.413172  0.519294  1
  Sm  Sm261  1  0.389414  0.974422  0.544184  1
  Sm  Sm262  1  0.223663  0.308562  0.543857  1
  Sm  Sm263  1  0.103959  0.204952  0.568625  1
  Sm  Sm264  1  0.889906  0.975086  0.543757  1
  Sm  Sm265  1  0.135099  0.580050  0.520469  1
  Sm  Sm266  1  0.015029  0.475578  0.545461  1
  Sm  Sm267  1  0.801740  0.246550  0.520288  1
  Sm  Sm268  1  0.635577  0.580191  0.520123  1
  Sm  Sm269  1  0.681614  0.142041  0.545385  1
  Sm  Sm270  1  0.515324  0.476501  0.544977  1
  Sm  Sm271  1  0.468573  0.913481  0.520491  1
  Sm  Sm272  1  0.302027  0.246981  0.520396  1
  Sm  Sm273  1  0.348313  0.809607  0.545239  1
  Sm  Sm274  1  0.181452  0.143015  0.545031  1
  Sm  Sm275  1  0.968523  0.913394  0.520114  1
  Sm  Sm276  1  0.848252  0.809608  0.544916  1
  Sm  Sm277  1  0.311365  0.035850  0.568430  1
  Sm  Sm278  1  0.097178  0.806880  0.543457  1
  Sm  Sm279  1  0.978009  0.702166  0.568250  1
  Sm  Sm280  1  0.811546  0.035959  0.568396  1
  Sm  Sm281  1  0.763814  0.473430  0.543113  1
  Sm  Sm282  1  0.597790  0.807400  0.543232  1
  Sm  Sm283  1  0.645007  0.368792  0.568072  1
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