# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32559897
_cell_length_b   79.44316984
_cell_length_c   49.95743040
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.50575161
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm486
_cell_volume   37009.7773478
_cell_formula_units_Z   486
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  0.594455  0.441007  0.270953  1
  Sm  Sm2  1  0.547029  0.111376  0.247312  1
  Sm  Sm3  1  0.621640  0.775121  0.300972  1
  Sm  Sm4  1  0.927789  0.107674  0.270953  1
  Sm  Sm5  1  0.880362  0.778043  0.247312  1
  Sm  Sm6  1  0.261122  0.774340  0.270953  1
  Sm  Sm7  1  0.954974  0.441788  0.300972  1
  Sm  Sm8  1  0.213695  0.444710  0.247312  1
  Sm  Sm9  1  0.288307  0.108454  0.300972  1
  Sm  Sm10  1  0.315342  0.403809  0.276922  1
  Sm  Sm11  1  0.254600  0.076061  0.252535  1
  Sm  Sm12  1  0.360393  0.736889  0.309139  1
  Sm  Sm13  1  0.648676  0.070475  0.276922  1
  Sm  Sm14  1  0.587933  0.742728  0.252535  1
  Sm  Sm15  1  0.982009  0.737142  0.276922  1
  Sm  Sm16  1  0.693727  0.403555  0.309139  1
  Sm  Sm17  1  0.921267  0.409395  0.252535  1
  Sm  Sm18  1  0.027060  0.070222  0.309139  1
  Sm  Sm19  1  0.623619  0.369374  0.260275  1
  Sm  Sm20  1  0.666189  0.032550  0.312439  1
  Sm  Sm21  1  0.648421  0.702666  0.287100  1
  Sm  Sm22  1  0.956953  0.036041  0.260275  1
  Sm  Sm23  1  0.999523  0.699217  0.312439  1
  Sm  Sm24  1  0.290286  0.702708  0.260275  1
  Sm  Sm25  1  0.981754  0.369333  0.287100  1
  Sm  Sm26  1  0.332856  0.365883  0.312439  1
  Sm  Sm27  1  0.315088  0.035999  0.287100  1
  Sm  Sm28  1  0.658140  0.666932  0.247312  1
  Sm  Sm29  1  0.732751  0.330677  0.300972  1
  Sm  Sm30  1  0.705566  0.996563  0.270953  1
  Sm  Sm31  1  0.991473  0.333598  0.247312  1
  Sm  Sm32  1  0.066085  0.997343  0.300972  1
  Sm  Sm33  1  0.324806  0.000265  0.247312  1
  Sm  Sm34  1  0.038900  0.663229  0.270953  1
  Sm  Sm35  1  0.399418  0.664010  0.300972  1
  Sm  Sm36  1  0.372233  0.329896  0.270953  1
  Sm  Sm37  1  0.365711  0.631617  0.252535  1
  Sm  Sm38  1  0.471504  0.292444  0.309139  1
  Sm  Sm39  1  0.426453  0.959364  0.276922  1
  Sm  Sm40  1  0.699045  0.298283  0.252535  1
  Sm  Sm41  1  0.804838  0.959111  0.309139  1
  Sm  Sm42  1  0.032378  0.964950  0.252535  1
  Sm  Sm43  1  0.759787  0.626031  0.276922  1
  Sm  Sm44  1  0.138171  0.625777  0.309139  1
  Sm  Sm45  1  0.093120  0.292697  0.276922  1
  Sm  Sm46  1  0.426199  0.591555  0.287100  1
  Sm  Sm47  1  0.401397  0.258263  0.260275  1
  Sm  Sm48  1  0.443967  0.921439  0.312439  1
  Sm  Sm49  1  0.759532  0.258221  0.287100  1
  Sm  Sm50  1  0.734730  0.924930  0.260275  1
  Sm  Sm51  1  0.092866  0.924888  0.287100  1
  Sm  Sm52  1  0.777301  0.588105  0.312439  1
  Sm  Sm53  1  0.068064  0.591597  0.260275  1
  Sm  Sm54  1  0.110634  0.254772  0.312439  1
  Sm  Sm55  1  0.435917  0.555821  0.247312  1
  Sm  Sm56  1  0.510529  0.219565  0.300972  1
  Sm  Sm57  1  0.483344  0.885452  0.270953  1
  Sm  Sm58  1  0.769251  0.222487  0.247312  1
  Sm  Sm59  1  0.843863  0.886232  0.300972  1
  Sm  Sm60  1  0.102584  0.889154  0.247312  1
  Sm  Sm61  1  0.816678  0.552118  0.270953  1
  Sm  Sm62  1  0.177196  0.552899  0.300972  1
  Sm  Sm63  1  0.150011  0.218785  0.270953  1
  Sm  Sm64  1  0.537565  0.514920  0.276922  1
  Sm  Sm65  1  0.476822  0.187172  0.252535  1
  Sm  Sm66  1  0.582615  0.848000  0.309139  1
  Sm  Sm67  1  0.870898  0.181586  0.276922  1
  Sm  Sm68  1  0.810156  0.853839  0.252535  1
  Sm  Sm69  1  0.204231  0.848253  0.276922  1
  Sm  Sm70  1  0.915949  0.514666  0.309139  1
  Sm  Sm71  1  0.143489  0.520506  0.252535  1
  Sm  Sm72  1  0.249282  0.181333  0.309139  1
  Sm  Sm73  1  0.555078  0.476994  0.312439  1
  Sm  Sm74  1  0.537310  0.147110  0.287100  1
  Sm  Sm75  1  0.512508  0.813819  0.260275  1
  Sm  Sm76  1  0.888412  0.143661  0.312439  1
  Sm  Sm77  1  0.870643  0.813777  0.287100  1
  Sm  Sm78  1  0.221745  0.810328  0.312439  1
  Sm  Sm79  1  0.845842  0.480485  0.260275  1
  Sm  Sm80  1  0.203977  0.480444  0.287100  1
  Sm  Sm81  1  0.179175  0.147152  0.260275  1
  Sm  Sm82  1  0.655253  0.438464  0.351282  1
  Sm  Sm83  1  0.648114  0.105587  0.323697  1
  Sm  Sm84  1  0.667297  0.768942  0.374914  1
  Sm  Sm85  1  0.988586  0.105130  0.351282  1
  Sm  Sm86  1  0.981448  0.772254  0.323697  1
  Sm  Sm87  1  0.321920  0.771797  0.351282  1
  Sm  Sm88  1  1.000630  0.435609  0.374914  1
  Sm  Sm89  1  0.314781  0.438921  0.323697  1
  Sm  Sm90  1  0.333964  0.102276  0.374914  1
  Sm  Sm91  1  0.409147  0.399845  0.360039  1
  Sm  Sm92  1  0.393868  0.067986  0.334351  1
  Sm  Sm93  1  0.424574  0.731341  0.386192  1
  Sm  Sm94  1  0.742481  0.066511  0.360039  1
  Sm  Sm95  1  0.727201  0.734653  0.334351  1
  Sm  Sm96  1  0.075814  0.733178  0.360039  1
  Sm  Sm97  1  0.757908  0.398008  0.386192  1
  Sm  Sm98  1  0.060535  0.401319  0.334351  1
  Sm  Sm99  1  0.091241  0.064674  0.386192  1
  Sm  Sm100  1  0.672343  0.365233  0.339163  1
  Sm  Sm101  1  0.687014  0.028382  0.388463  1
  Sm  Sm102  1  0.678730  0.695916  0.362727  1
  Sm  Sm103  1  1.005677  0.031900  0.339163  1
  Sm  Sm104  1  1.020347  0.695049  0.388463  1
  Sm  Sm105  1  0.339010  0.698566  0.339163  1
  Sm  Sm106  1  1.012064  0.362582  0.362727  1
  Sm  Sm107  1  0.353681  0.361716  0.388463  1
  Sm  Sm108  1  0.345397  0.029249  0.362727  1
  Sm  Sm109  1  0.759225  0.661143  0.323697  1
  Sm  Sm110  1  0.778408  0.324498  0.374914  1
  Sm  Sm111  1  0.766364  0.994019  0.351282  1
  Sm  Sm112  1  0.092559  0.327810  0.323697  1
  Sm  Sm113  1  0.111742  0.991165  0.374914  1
  Sm  Sm114  1  0.425892  0.994476  0.323697  1
  Sm  Sm115  1  0.099697  0.660686  0.351282  1
  Sm  Sm116  1  0.445075  0.657831  0.374914  1
  Sm  Sm117  1  0.433031  0.327352  0.351282  1
  Sm  Sm118  1  0.504979  0.623542  0.334351  1
  Sm  Sm119  1  0.535686  0.286897  0.386192  1
  Sm  Sm120  1  0.520259  0.955400  0.360039  1
  Sm  Sm121  1  0.838313  0.290208  0.334351  1
  Sm  Sm122  1  0.869019  0.953563  0.386192  1
  Sm  Sm123  1  0.171646  0.956875  0.334351  1
  Sm  Sm124  1  0.853592  0.622067  0.360039  1
  Sm  Sm125  1  0.202352  0.620230  0.386192  1
  Sm  Sm126  1  0.186925  0.288734  0.360039  1
  Sm  Sm127  1  0.456508  0.584805  0.362727  1
  Sm  Sm128  1  0.450121  0.254122  0.339163  1
  Sm  Sm129  1  0.464792  0.917271  0.388463  1
  Sm  Sm130  1  0.789842  0.251471  0.362727  1
  Sm  Sm131  1  0.783455  0.920789  0.339163  1
  Sm  Sm132  1  0.123175  0.918138  0.362727  1
  Sm  Sm133  1  0.798125  0.583938  0.388463  1
  Sm  Sm134  1  0.116788  0.587455  0.339163  1
  Sm  Sm135  1  0.131458  0.250605  0.388463  1
  Sm  Sm136  1  0.537003  0.550032  0.323697  1
  Sm  Sm137  1  0.556186  0.213387  0.374914  1
  Sm  Sm138  1  0.544142  0.882908  0.351282  1
  Sm  Sm139  1  0.870336  0.216699  0.323697  1
  Sm  Sm140  1  0.889519  0.880053  0.374914  1
  Sm  Sm141  1  0.203670  0.883365  0.323697  1
  Sm  Sm142  1  0.877475  0.549575  0.351282  1
  Sm  Sm143  1  0.222853  0.546720  0.374914  1
  Sm  Sm144  1  0.210808  0.216241  0.351282  1
  Sm  Sm145  1  0.631370  0.510956  0.360039  1
  Sm  Sm146  1  0.616090  0.179097  0.334351  1
  Sm  Sm147  1  0.646797  0.842452  0.386192  1
  Sm  Sm148  1  0.964703  0.177622  0.360039  1
  Sm  Sm149  1  0.949424  0.845764  0.334351  1
  Sm  Sm150  1  0.298036  0.844289  0.360039  1
  Sm  Sm151  1  0.980130  0.509119  0.386192  1
  Sm  Sm152  1  0.282757  0.512430  0.334351  1
  Sm  Sm153  1  0.313463  0.175785  0.386192  1
  Sm  Sm154  1  0.575903  0.472827  0.388463  1
  Sm  Sm155  1  0.567619  0.140360  0.362727  1
  Sm  Sm156  1  0.561232  0.809678  0.339163  1
  Sm  Sm157  1  0.909236  0.139493  0.388463  1
  Sm  Sm158  1  0.900953  0.807027  0.362727  1
  Sm  Sm159  1  0.242570  0.806160  0.388463  1
  Sm  Sm160  1  0.894566  0.476344  0.339163  1
  Sm  Sm161  1  0.234286  0.473693  0.362727  1
  Sm  Sm162  1  0.227899  0.143011  0.339163  1
  Sm  Sm163  1  0.688223  0.432612  0.425772  1
  Sm  Sm164  1  0.676348  0.100777  0.400317  1
  Sm  Sm165  1  0.700218  0.763953  0.450945  1
  Sm  Sm166  1  1.021556  0.099279  0.425772  1
  Sm  Sm167  1  1.009682  0.767443  0.400317  1
  Sm  Sm168  1  0.354889  0.765946  0.425772  1
  Sm  Sm169  1  0.033551  0.430619  0.450945  1
  Sm  Sm170  1  0.343015  0.434110  0.400317  1
  Sm  Sm171  1  0.366884  0.097286  0.450945  1
  Sm  Sm172  1  0.451761  0.394295  0.436932  1
  Sm  Sm173  1  0.438302  0.062606  0.411479  1
  Sm  Sm174  1  0.464216  0.725920  0.462422  1
  Sm  Sm175  1  0.785094  0.060962  0.436932  1
  Sm  Sm176  1  0.771636  0.729272  0.411479  1
  Sm  Sm177  1  0.118427  0.727629  0.436932  1
  Sm  Sm178  1  0.797549  0.392587  0.462422  1
  Sm  Sm179  1  0.104969  0.395939  0.411479  1
  Sm  Sm180  1  0.130883  0.059254  0.462422  1
  Sm  Sm181  1  0.701220  0.359418  0.413922  1
  Sm  Sm182  1  0.725134  0.022761  0.464798  1
  Sm  Sm183  1  0.713163  0.691057  0.439361  1
  Sm  Sm184  1  0.034553  0.026085  0.413922  1
  Sm  Sm185  1  0.058467  0.689428  0.464798  1
  Sm  Sm186  1  0.367887  0.692751  0.413922  1
  Sm  Sm187  1  0.046497  0.357724  0.439361  1
  Sm  Sm188  1  0.391800  0.356094  0.464798  1
  Sm  Sm189  1  0.379830  0.024391  0.439361  1
  Sm  Sm190  1  0.787459  0.656332  0.400317  1
  Sm  Sm191  1  0.811329  0.319508  0.450945  1
  Sm  Sm192  1  0.799334  0.988168  0.425772  1
  Sm  Sm193  1  0.120793  0.322999  0.400317  1
  Sm  Sm194  1  0.144662  0.986175  0.450945  1
  Sm  Sm195  1  0.454126  0.989666  0.400317  1
  Sm  Sm196  1  0.132667  0.654835  0.425772  1
  Sm  Sm197  1  0.477995  0.652842  0.450945  1
  Sm  Sm198  1  0.466000  0.321501  0.425772  1
  Sm  Sm199  1  0.549414  0.618161  0.411479  1
  Sm  Sm200  1  0.575327  0.281476  0.462422  1
  Sm  Sm201  1  0.562872  0.949851  0.436932  1
  Sm  Sm202  1  0.882747  0.284828  0.411479  1
  Sm  Sm203  1  0.908660  0.948142  0.462422  1
  Sm  Sm204  1  0.216080  0.951495  0.411479  1
  Sm  Sm205  1  0.896205  0.616517  0.436932  1
  Sm  Sm206  1  0.241994  0.614809  0.462422  1
  Sm  Sm207  1  0.229539  0.283184  0.436932  1
  Sm  Sm208  1  0.490941  0.579946  0.439361  1
  Sm  Sm209  1  0.478998  0.248307  0.413922  1
  Sm  Sm210  1  0.502911  0.911650  0.464798  1
  Sm  Sm211  1  0.824274  0.246613  0.439361  1
  Sm  Sm212  1  0.812331  0.914974  0.413922  1
  Sm  Sm213  1  0.157608  0.913279  0.439361  1
  Sm  Sm214  1  0.836245  0.578317  0.464798  1
  Sm  Sm215  1  0.145664  0.581640  0.413922  1
  Sm  Sm216  1  0.169578  0.244983  0.464798  1
  Sm  Sm217  1  0.565237  0.545221  0.400317  1
  Sm  Sm218  1  0.589107  0.208397  0.450945  1
  Sm  Sm219  1  0.577112  0.877057  0.425772  1
  Sm  Sm220  1  0.898571  0.211888  0.400317  1
  Sm  Sm221  1  0.922440  0.875064  0.450945  1
  Sm  Sm222  1  0.231904  0.878555  0.400317  1
  Sm  Sm223  1  0.910445  0.543724  0.425772  1
  Sm  Sm224  1  0.255773  0.541730  0.450945  1
  Sm  Sm225  1  0.243778  0.210390  0.425772  1
  Sm  Sm226  1  0.673983  0.505406  0.436932  1
  Sm  Sm227  1  0.660525  0.173717  0.411479  1
  Sm  Sm228  1  0.686438  0.837031  0.462422  1
  Sm  Sm229  1  1.007316  0.172073  0.436932  1
  Sm  Sm230  1  0.993858  0.840383  0.411479  1
  Sm  Sm231  1  0.340650  0.838740  0.436932  1
  Sm  Sm232  1  1.019772  0.503698  0.462422  1
  Sm  Sm233  1  0.327191  0.507050  0.411479  1
  Sm  Sm234  1  0.353105  0.170365  0.462422  1
  Sm  Sm235  1  0.614023  0.467206  0.464798  1
  Sm  Sm236  1  0.602052  0.135502  0.439361  1
  Sm  Sm237  1  0.590109  0.803863  0.413922  1
  Sm  Sm238  1  0.947356  0.133872  0.464798  1
  Sm  Sm239  1  0.935385  0.802168  0.439361  1
  Sm  Sm240  1  0.280689  0.800539  0.464798  1
  Sm  Sm241  1  0.923442  0.470529  0.413922  1
  Sm  Sm242  1  0.268719  0.468835  0.439361  1
  Sm  Sm243  1  0.256776  0.137196  0.413922  1
  Sm  Sm244  1  0.723666  0.427312  0.501718  1
  Sm  Sm245  1  0.712186  0.095562  0.476202  1
  Sm  Sm246  1  0.735812  0.758846  0.526770  1
  Sm  Sm247  1  0.056999  0.093979  0.501718  1
  Sm  Sm248  1  0.045519  0.762229  0.476202  1
  Sm  Sm249  1  0.390333  0.760646  0.501718  1
  Sm  Sm250  1  0.069145  0.425513  0.526770  1
  Sm  Sm251  1  0.378853  0.428895  0.476202  1
  Sm  Sm252  1  0.402478  0.092179  0.526770  1
  Sm  Sm253  1  0.489656  0.388907  0.513403  1
  Sm  Sm254  1  0.476957  0.057376  0.487938  1
  Sm  Sm255  1  0.500894  0.720857  0.538777  1
  Sm  Sm256  1  0.822989  0.055574  0.513403  1
  Sm  Sm257  1  0.810291  0.724043  0.487938  1
  Sm  Sm258  1  0.156322  0.722240  0.513403  1
  Sm  Sm259  1  0.834228  0.387523  0.538777  1
  Sm  Sm260  1  0.143624  0.390710  0.487938  1
  Sm  Sm261  1  0.167561  0.054190  0.538777  1
  Sm  Sm262  1  0.738087  0.354301  0.490143  1
  Sm  Sm263  1  0.764050  0.017467  0.541275  1
  Sm  Sm264  1  0.750764  0.685757  0.515755  1
  Sm  Sm265  1  0.071420  0.020968  0.490143  1
  Sm  Sm266  1  0.097383  0.684134  0.541275  1
  Sm  Sm267  1  0.404753  0.687634  0.490143  1
  Sm  Sm268  1  0.084098  0.352424  0.515755  1
  Sm  Sm269  1  0.430717  0.350801  0.541275  1
  Sm  Sm270  1  0.417431  0.019090  0.515755  1
  Sm  Sm271  1  0.823297  0.651118  0.476202  1
  Sm  Sm272  1  0.846923  0.314402  0.526770  1
  Sm  Sm273  1  0.834777  0.982868  0.501718  1
  Sm  Sm274  1  0.156631  0.317784  0.476202  1
  Sm  Sm275  1  0.180256  0.981068  0.526770  1
  Sm  Sm276  1  0.489964  0.984451  0.476202  1
  Sm  Sm277  1  0.168110  0.649535  0.501718  1
  Sm  Sm278  1  0.513590  0.647735  0.526770  1
  Sm  Sm279  1  0.501444  0.316201  0.501718  1
  Sm  Sm280  1  0.588068  0.612932  0.487938  1
  Sm  Sm281  1  0.612005  0.276412  0.538777  1
  Sm  Sm282  1  0.600767  0.944463  0.513403  1
  Sm  Sm283  1  0.921402  0.279599  0.487938  1
  Sm  Sm284  1  0.945339  0.943079  0.538777  1
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