# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.73621968
_cell_length_b   79.55749181
_cell_length_c   49.41843437
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.00824827
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm972
_cell_volume   73652.0414679
_cell_formula_units_Z   972
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  0.281424  0.106176  0.253907  1
  Sm  Sm2  1  0.328435  0.760263  0.274990  1
  Sm  Sm3  1  0.501314  0.766098  0.309722  1
  Sm  Sm4  1  0.642125  0.770071  0.257077  1
  Sm  Sm5  1  0.276808  0.437603  0.303018  1
  Sm  Sm6  1  0.418929  0.441440  0.250974  1
  Sm  Sm7  1  0.467882  0.102232  0.276499  1
  Sm  Sm8  1  0.639375  0.102450  0.305949  1
  Sm  Sm9  1  0.781412  0.106172  0.253903  1
  Sm  Sm10  1  0.827094  0.769879  0.283188  1
  Sm  Sm11  1  1.005000  0.767258  0.310527  1
  Sm  Sm12  1  0.136872  0.771429  0.257540  1
  Sm  Sm13  1  0.605218  0.437478  0.273625  1
  Sm  Sm14  1  0.776785  0.437600  0.303033  1
  Sm  Sm15  1  0.918924  0.441371  0.250997  1
  Sm  Sm16  1  0.967868  0.102233  0.276501  1
  Sm  Sm17  1  0.139372  0.102457  0.305954  1
  Sm  Sm18  1  0.105460  0.437394  0.273531  1
  Sm  Sm19  1  0.155730  0.067440  0.262218  1
  Sm  Sm20  1  0.167031  0.729939  0.281215  1
  Sm  Sm21  1  0.375349  0.727474  0.317939  1
  Sm  Sm22  1  0.522056  0.730175  0.265751  1
  Sm  Sm23  1  0.153568  0.397745  0.310907  1
  Sm  Sm24  1  0.293230  0.402665  0.259147  1
  Sm  Sm25  1  0.342818  0.063541  0.284665  1
  Sm  Sm26  1  0.516085  0.062637  0.314006  1
  Sm  Sm27  1  0.655718  0.067430  0.262211  1
  Sm  Sm28  1  0.713129  0.731202  0.288060  1
  Sm  Sm29  1  0.876226  0.728862  0.319364  1
  Sm  Sm30  1  0.956266  0.737732  0.258704  1
  Sm  Sm31  1  0.480231  0.398739  0.281581  1
  Sm  Sm32  1  0.653472  0.397801  0.310926  1
  Sm  Sm33  1  0.793155  0.402652  0.259151  1
  Sm  Sm34  1  0.842790  0.063539  0.284664  1
  Sm  Sm35  1  1.016092  0.062643  0.314008  1
  Sm  Sm36  1  0.980307  0.398694  0.281545  1
  Sm  Sm37  1  0.392035  0.023356  0.320816  1
  Sm  Sm38  1  0.321080  0.702549  0.264556  1
  Sm  Sm39  1  0.501237  0.687678  0.284735  1
  Sm  Sm40  1  0.671477  0.692660  0.313241  1
  Sm  Sm41  1  0.352801  0.361768  0.292798  1
  Sm  Sm42  1  0.529460  0.358506  0.317589  1
  Sm  Sm43  1  0.533701  0.027119  0.268851  1
  Sm  Sm44  1  0.715371  0.026580  0.296013  1
  Sm  Sm45  1  0.892062  0.023375  0.320840  1
  Sm  Sm46  1  0.822613  0.696440  0.262294  1
  Sm  Sm47  1  1.001304  0.696540  0.289318  1
  Sm  Sm48  1  0.175917  0.693599  0.317834  1
  Sm  Sm49  1  0.671148  0.362343  0.265633  1
  Sm  Sm50  1  0.852781  0.361761  0.292794  1
  Sm  Sm51  1  0.029491  0.358461  0.317536  1
  Sm  Sm52  1  0.033728  0.027121  0.268854  1
  Sm  Sm53  1  0.215371  0.026606  0.296043  1
  Sm  Sm54  1  0.171156  0.362310  0.265587  1
  Sm  Sm55  1  0.352899  0.327597  0.247711  1
  Sm  Sm56  1  0.406019  0.987108  0.275031  1
  Sm  Sm57  1  0.588031  0.987750  0.305674  1
  Sm  Sm58  1  0.715370  0.992310  0.251082  1
  Sm  Sm59  1  0.362982  0.657477  0.297574  1
  Sm  Sm60  1  0.545348  0.653493  0.325869  1
  Sm  Sm61  1  0.543365  0.322349  0.271636  1
  Sm  Sm62  1  0.725482  0.322932  0.302302  1
  Sm  Sm63  1  0.852892  0.327594  0.247713  1
  Sm  Sm64  1  0.905883  0.987152  0.275031  1
  Sm  Sm65  1  0.088096  0.987788  0.305705  1
  Sm  Sm66  1  0.215499  0.992373  0.251099  1
  Sm  Sm67  1  0.683062  0.655572  0.268728  1
  Sm  Sm68  1  0.867025  0.658528  0.300096  1
  Sm  Sm69  1  0.996179  0.661869  0.245442  1
  Sm  Sm70  1  0.043372  0.322279  0.271587  1
  Sm  Sm71  1  0.225498  0.322924  0.302296  1
  Sm  Sm72  1  0.185717  0.662306  0.271363  1
  Sm  Sm73  1  0.208373  0.292261  0.250186  1
  Sm  Sm74  1  0.263104  0.952051  0.278784  1
  Sm  Sm75  1  0.457604  0.949794  0.312460  1
  Sm  Sm76  1  0.571139  0.956897  0.253775  1
  Sm  Sm77  1  0.230637  0.619322  0.308488  1
  Sm  Sm78  1  0.301421  0.627460  0.247614  1
  Sm  Sm79  1  0.400555  0.287247  0.275251  1
  Sm  Sm80  1  0.595048  0.285020  0.308921  1
  Sm  Sm81  1  0.708240  0.292275  0.250184  1
  Sm  Sm82  1  0.763248  0.952028  0.278821  1
  Sm  Sm83  1  0.957790  0.949900  0.312470  1
  Sm  Sm84  1  0.070700  0.957095  0.253681  1
  Sm  Sm85  1  0.514895  0.628423  0.269525  1
  Sm  Sm86  1  0.733661  0.620500  0.307607  1
  Sm  Sm87  1  0.853455  0.627221  0.249583  1
  Sm  Sm88  1  0.900431  0.287231  0.275228  1
  Sm  Sm89  1  0.095084  0.285008  0.308928  1
  Sm  Sm90  1  0.057119  0.623080  0.274396  1
  Sm  Sm91  1  0.227102  0.250802  0.278907  1
  Sm  Sm92  1  0.263720  0.914369  0.312952  1
  Sm  Sm93  1  0.404361  0.922210  0.259381  1
  Sm  Sm94  1  0.589445  0.915486  0.282641  1
  Sm  Sm95  1  0.175919  0.589330  0.252802  1
  Sm  Sm96  1  0.362619  0.586394  0.275755  1
  Sm  Sm97  1  0.400801  0.249695  0.309367  1
  Sm  Sm98  1  0.541823  0.257521  0.255740  1
  Sm  Sm99  1  0.727086  0.250806  0.278904  1
  Sm  Sm100  1  0.763459  0.914557  0.313062  1
  Sm  Sm101  1  0.904355  0.922313  0.259408  1
  Sm  Sm102  1  0.090001  0.915617  0.282539  1
  Sm  Sm103  1  0.536836  0.587373  0.305341  1
  Sm  Sm104  1  0.676158  0.596172  0.254289  1
  Sm  Sm105  1  0.865957  0.585861  0.276296  1
  Sm  Sm106  1  0.900789  0.249694  0.309370  1
  Sm  Sm107  1  0.041831  0.257557  0.255746  1
  Sm  Sm108  1  0.038137  0.584616  0.306645  1
  Sm  Sm109  1  0.274415  0.211490  0.316264  1
  Sm  Sm110  1  0.278783  0.882136  0.267933  1
  Sm  Sm111  1  0.462141  0.876963  0.289928  1
  Sm  Sm112  1  0.637215  0.876350  0.320101  1
  Sm  Sm113  1  0.237509  0.546694  0.283373  1
  Sm  Sm114  1  0.412436  0.547162  0.313716  1
  Sm  Sm115  1  0.415936  0.217740  0.264027  1
  Sm  Sm116  1  0.599793  0.212325  0.286075  1
  Sm  Sm117  1  0.774417  0.211489  0.316263  1
  Sm  Sm118  1  0.778053  0.882534  0.267778  1
  Sm  Sm119  1  0.962256  0.877266  0.289847  1
  Sm  Sm120  1  0.136927  0.876415  0.320227  1
  Sm  Sm121  1  0.556433  0.554000  0.262281  1
  Sm  Sm122  1  0.739042  0.547516  0.282599  1
  Sm  Sm123  1  0.911056  0.546524  0.313884  1
  Sm  Sm124  1  0.915962  0.217750  0.264027  1
  Sm  Sm125  1  0.099792  0.212330  0.286067  1
  Sm  Sm126  1  0.050187  0.551512  0.261686  1
  Sm  Sm127  1  0.282719  0.179334  0.267358  1
  Sm  Sm128  1  0.329203  0.838890  0.299037  1
  Sm  Sm129  1  0.509329  0.837984  0.325674  1
  Sm  Sm130  1  0.645488  0.843579  0.271706  1
  Sm  Sm131  1  0.284827  0.508079  0.319710  1
  Sm  Sm132  1  0.423250  0.514828  0.265687  1
  Sm  Sm133  1  0.467387  0.175391  0.295403  1
  Sm  Sm134  1  0.646397  0.173016  0.322084  1
  Sm  Sm135  1  0.782752  0.179333  0.267367  1
  Sm  Sm136  1  0.829817  0.840660  0.299263  1
  Sm  Sm137  1  1.008977  0.838254  0.326371  1
  Sm  Sm138  1  0.144268  0.844517  0.270570  1
  Sm  Sm139  1  0.605651  0.510723  0.292879  1
  Sm  Sm140  1  0.783376  0.508231  0.319309  1
  Sm  Sm141  1  0.918017  0.514120  0.264318  1
  Sm  Sm142  1  0.967394  0.175391  0.295401  1
  Sm  Sm143  1  0.146394  0.173019  0.322080  1
  Sm  Sm144  1  0.104686  0.510242  0.292956  1
  Sm  Sm145  1  0.267677  0.139883  0.297925  1
  Sm  Sm146  1  0.266808  0.806693  0.249617  1
  Sm  Sm147  1  0.455947  0.804943  0.272231  1
  Sm  Sm148  1  0.630491  0.803977  0.301883  1
  Sm  Sm149  1  0.233033  0.477577  0.265374  1
  Sm  Sm150  1  0.405118  0.475017  0.295140  1
  Sm  Sm151  1  0.405571  0.144004  0.245132  1
  Sm  Sm152  1  0.595296  0.142194  0.268048  1
  Sm  Sm153  1  0.767675  0.139879  0.297924  1
  Sm  Sm154  1  0.767686  0.808815  0.249149  1
  Sm  Sm155  1  0.958136  0.807946  0.272360  1
  Sm  Sm156  1  0.128383  0.805323  0.302767  1
  Sm  Sm157  1  0.543138  0.479362  0.242401  1
  Sm  Sm158  1  0.732664  0.477310  0.265254  1
  Sm  Sm159  1  0.905161  0.474975  0.295209  1
  Sm  Sm160  1  0.905566  0.144002  0.245131  1
  Sm  Sm161  1  0.095293  0.142194  0.268047  1
  Sm  Sm162  1  0.043291  0.479146  0.242351  1
  Sm  Sm163  1  0.313316  0.098200  0.329194  1
  Sm  Sm164  1  0.350799  0.761720  0.360528  1
  Sm  Sm165  1  0.521929  0.758271  0.384517  1
  Sm  Sm166  1  0.678084  0.763228  0.334245  1
  Sm  Sm167  1  0.293394  0.428828  0.377527  1
  Sm  Sm168  1  0.450730  0.433323  0.326260  1
  Sm  Sm169  1  0.483191  0.096671  0.355689  1
  Sm  Sm170  1  0.655941  0.093794  0.380465  1
  Sm  Sm171  1  0.813310  0.098200  0.329195  1
  Sm  Sm172  1  0.847932  0.762266  0.360897  1
  Sm  Sm173  1  1.021600  0.758550  0.384336  1
  Sm  Sm174  1  0.183238  0.762002  0.332789  1
  Sm  Sm175  1  0.620585  0.431782  0.352757  1
  Sm  Sm176  1  0.793335  0.428825  0.377472  1
  Sm  Sm177  1  0.950750  0.433264  0.326221  1
  Sm  Sm178  1  0.983195  0.096679  0.355695  1
  Sm  Sm179  1  0.155949  0.093798  0.380470  1
  Sm  Sm180  1  0.120648  0.431709  0.352742  1
  Sm  Sm181  1  0.189124  0.060263  0.338528  1
  Sm  Sm182  1  0.224331  0.723462  0.368085  1
  Sm  Sm183  1  0.398302  0.720497  0.392970  1
  Sm  Sm184  1  0.553766  0.724729  0.340477  1
  Sm  Sm185  1  0.168908  0.390104  0.386154  1
  Sm  Sm186  1  0.326582  0.395364  0.335438  1
  Sm  Sm187  1  0.358990  0.057338  0.363256  1
  Sm  Sm188  1  0.531452  0.055089  0.389268  1
  Sm  Sm189  1  0.689110  0.060253  0.338515  1
  Sm  Sm190  1  0.723366  0.723676  0.367899  1
  Sm  Sm191  1  0.896378  0.721018  0.394295  1
  Sm  Sm192  1  0.050245  0.726037  0.341371  1
  Sm  Sm193  1  0.496419  0.392417  0.360164  1
  Sm  Sm194  1  0.668850  0.390124  0.386161  1
  Sm  Sm195  1  0.826507  0.395348  0.335411  1
  Sm  Sm196  1  0.858986  0.057350  0.363265  1
  Sm  Sm197  1  0.031454  0.055099  0.389276  1
  Sm  Sm198  1  0.996421  0.392376  0.360120  1
  Sm  Sm199  1  0.406368  0.016373  0.397492  1
  Sm  Sm200  1  0.345655  0.689034  0.341164  1
  Sm  Sm201  1  0.512446  0.687409  0.365311  1
  Sm  Sm202  1  0.682191  0.685551  0.391495  1
  Sm  Sm203  1  0.372121  0.353577  0.368441  1
  Sm  Sm204  1  0.543786  0.351400  0.394245  1
  Sm  Sm205  1  0.563767  0.021916  0.347845  1
  Sm  Sm206  1  0.734681  0.018529  0.371698  1
  Sm  Sm207  1  0.906367  0.016399  0.397521  1
  Sm  Sm208  1  0.840525  0.691054  0.342028  1
  Sm  Sm209  1  1.010719  0.687981  0.365945  1
  Sm  Sm210  1  0.183160  0.685384  0.392028  1
  Sm  Sm211  1  0.701172  0.357021  0.344604  1
  Sm  Sm212  1  0.872100  0.353561  0.368410  1
  Sm  Sm213  1  0.043793  0.351383  0.394216  1
  Sm  Sm214  1  0.063794  0.021935  0.347866  1
  Sm  Sm215  1  0.234683  0.018519  0.371698  1
  Sm  Sm216  1  0.201233  0.357009  0.344604  1
  Sm  Sm217  1  0.405824  0.319907  0.325470  1
  Sm  Sm218  1  0.439127  0.983058  0.356192  1
  Sm  Sm219  1  0.611363  0.979532  0.379892  1
  Sm  Sm220  1  0.768374  0.984791  0.328871  1
  Sm  Sm221  1  0.386902  0.648975  0.374931  1
  Sm  Sm222  1  0.559590  0.647438  0.400886  1
  Sm  Sm223  1  0.576528  0.318168  0.352808  1
  Sm  Sm224  1  0.748753  0.314568  0.376457  1
  Sm  Sm225  1  0.905829  0.319889  0.325451  1
  Sm  Sm226  1  0.939102  0.983111  0.356223  1
  Sm  Sm227  1  0.111354  0.979521  0.379878  1
  Sm  Sm228  1  0.268437  0.984781  0.328882  1
  Sm  Sm229  1  0.717539  0.653411  0.351108  1
  Sm  Sm230  1  0.888284  0.649440  0.374147  1
  Sm  Sm231  1  0.046452  0.655244  0.323929  1
  Sm  Sm232  1  0.076552  0.318155  0.352795  1
  Sm  Sm233  1  0.248770  0.314565  0.376461  1
  Sm  Sm234  1  0.216506  0.652973  0.350428  1
  Sm  Sm235  1  0.275266  0.282257  0.331966  1
  Sm  Sm236  1  0.312164  0.944793  0.362497  1
  Sm  Sm237  1  0.485696  0.941884  0.387875  1
  Sm  Sm238  1  0.637854  0.947145  0.335506  1
  Sm  Sm239  1  0.260837  0.611621  0.382750  1
  Sm  Sm240  1  0.408738  0.617254  0.328918  1
  Sm  Sm241  1  0.449621  0.279936  0.358950  1
  Sm  Sm242  1  0.623094  0.276914  0.384326  1
  Sm  Sm243  1  0.775223  0.282257  0.331963  1
  Sm  Sm244  1  0.812237  0.944900  0.362506  1
  Sm  Sm245  1  0.985769  0.941932  0.387913  1
  Sm  Sm246  1  0.137969  0.947154  0.335451  1
  Sm  Sm247  1  0.587447  0.614846  0.356903  1
  Sm  Sm248  1  0.762735  0.611775  0.382371  1
  Sm  Sm249  1  0.915246  0.617467  0.328838  1
  Sm  Sm250  1  0.949617  0.279928  0.358941  1
  Sm  Sm251  1  0.123109  0.276908  0.384324  1
  Sm  Sm252  1  0.087287  0.614782  0.357106  1
  Sm  Sm253  1  0.238952  0.244402  0.357567  1
  Sm  Sm254  1  0.274858  0.905886  0.386074  1
  Sm  Sm255  1  0.434301  0.909995  0.334959  1
  Sm  Sm256  1  0.601736  0.909378  0.361342  1
  Sm  Sm257  1  0.208668  0.579718  0.328952  1
  Sm  Sm258  1  0.376774  0.579684  0.354975  1
  Sm  Sm259  1  0.411966  0.241071  0.382477  1
  Sm  Sm260  1  0.571679  0.245260  0.331234  1
  Sm  Sm261  1  0.738948  0.244400  0.357566  1
  Sm  Sm262  1  0.774760  0.906136  0.386258  1
  Sm  Sm263  1  0.934579  0.910237  0.334969  1
  Sm  Sm264  1  0.101793  0.909426  0.361307  1
  Sm  Sm265  1  0.549662  0.576064  0.379452  1
  Sm  Sm266  1  0.708529  0.580275  0.328000  1
  Sm  Sm267  1  0.876623  0.579682  0.354979  1
  Sm  Sm268  1  0.911963  0.241067  0.382477  1
  Sm  Sm269  1  0.071675  0.245254  0.331233  1
  Sm  Sm270  1  0.049594  0.575840  0.380130  1
  Sm  Sm271  1  0.289510  0.203042  0.390810  1
  Sm  Sm272  1  0.311779  0.872559  0.343944  1
  Sm  Sm273  1  0.481399  0.870649  0.370011  1
  Sm  Sm274  1  0.652866  0.868068  0.394807  1
  Sm  Sm275  1  0.255466  0.540557  0.363264  1
  Sm  Sm276  1  0.427086  0.538152  0.388178  1
  Sm  Sm277  1  0.448369  0.208109  0.340427  1
  Sm  Sm278  1  0.617877  0.205574  0.365751  1
  Sm  Sm279  1  0.789511  0.203040  0.390810  1
  Sm  Sm280  1  0.811212  0.873146  0.344447  1
  Sm  Sm281  1  0.980697  0.870712  0.369777  1
  Sm  Sm282  1  0.152334  0.868060  0.394634  1
  Sm  Sm283  1  0.585237  0.543552  0.337231  1
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