# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.73435168
_cell_length_b   79.04123226
_cell_length_c   50.39194294
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.14409847
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm648
_cell_volume   50694.8416853
_cell_formula_units_Z   648
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  0.522123  0.888574  0.293335  1
  Sm  Sm2  1  0.854493  0.554682  0.293400  1
  Sm  Sm3  1  0.962596  0.892924  0.259413  1
  Sm  Sm4  1  0.189380  0.221091  0.293243  1
  Sm  Sm5  1  0.293616  0.559465  0.259331  1
  Sm  Sm6  1  0.241446  0.891030  0.277745  1
  Sm  Sm7  1  0.626182  0.226284  0.258964  1
  Sm  Sm8  1  0.572574  0.558554  0.278276  1
  Sm  Sm9  1  0.906584  0.225468  0.278379  1
  Sm  Sm10  1  0.389635  0.929884  0.260816  1
  Sm  Sm11  1  0.722783  0.597060  0.261627  1
  Sm  Sm12  1  0.677226  0.929110  0.277312  1
  Sm  Sm13  1  0.056661  0.263710  0.261616  1
  Sm  Sm14  1  1.008910  0.594556  0.277876  1
  Sm  Sm15  1  0.947352  0.929248  0.297525  1
  Sm  Sm16  1  0.342346  0.261204  0.277839  1
  Sm  Sm17  1  0.278927  0.595899  0.297589  1
  Sm  Sm18  1  0.612318  0.262669  0.297491  1
  Sm  Sm19  1  0.465039  0.963659  0.303332  1
  Sm  Sm20  1  0.811248  0.630692  0.302580  1
  Sm  Sm21  1  0.871563  0.968844  0.263168  1
  Sm  Sm22  1  0.144513  0.297411  0.302546  1
  Sm  Sm23  1  0.162527  0.634829  0.265528  1
  Sm  Sm24  1  0.172015  0.964712  0.280520  1
  Sm  Sm25  1  0.495507  0.301575  0.265531  1
  Sm  Sm26  1  0.494157  0.632745  0.279152  1
  Sm  Sm27  1  0.827528  0.299520  0.279075  1
  Sm  Sm28  1  0.694952  0.669324  0.271347  1
  Sm  Sm29  1  0.028366  0.336088  0.271368  1
  Sm  Sm30  1  0.977309  0.669342  0.289532  1
  Sm  Sm31  1  0.359649  0.002879  0.270666  1
  Sm  Sm32  1  0.310633  0.336073  0.289565  1
  Sm  Sm33  1  0.250029  0.668413  0.307601  1
  Sm  Sm34  1  0.641630  0.999950  0.288090  1
  Sm  Sm35  1  0.583369  0.335149  0.307602  1
  Sm  Sm36  1  0.073263  0.004153  0.251571  1
  Sm  Sm37  1  0.416154  0.704397  0.290010  1
  Sm  Sm38  1  0.749428  0.371151  0.290048  1
  Sm  Sm39  1  0.852260  0.707795  0.255232  1
  Sm  Sm40  1  0.076781  0.040378  0.291271  1
  Sm  Sm41  1  0.185658  0.374550  0.255282  1
  Sm  Sm42  1  0.132683  0.712096  0.272662  1
  Sm  Sm43  1  0.518337  0.041098  0.255175  1
  Sm  Sm44  1  0.465937  0.378838  0.272734  1
  Sm  Sm45  1  0.804037  0.039331  0.271693  1
  Sm  Sm46  1  0.362064  0.744036  0.257930  1
  Sm  Sm47  1  0.694635  0.410827  0.258009  1
  Sm  Sm48  1  0.645964  0.743422  0.275261  1
  Sm  Sm49  1  0.961987  0.079211  0.259037  1
  Sm  Sm50  1  0.978876  0.410144  0.275278  1
  Sm  Sm51  1  0.930137  0.741898  0.298880  1
  Sm  Sm52  1  0.292532  0.077047  0.272983  1
  Sm  Sm53  1  0.263257  0.408646  0.298932  1
  Sm  Sm54  1  0.605733  0.075205  0.295975  1
  Sm  Sm55  1  0.383274  0.779427  0.302722  1
  Sm  Sm56  1  0.716538  0.446166  0.302836  1
  Sm  Sm57  1  0.830182  0.781511  0.266648  1
  Sm  Sm58  1  0.049139  0.112652  0.301803  1
  Sm  Sm59  1  0.163105  0.448222  0.266686  1
  Sm  Sm60  1  0.117636  0.773370  0.278182  1
  Sm  Sm61  1  0.490829  0.113914  0.264534  1
  Sm  Sm62  1  0.450669  0.440205  0.278398  1
  Sm  Sm63  1  0.772532  0.113206  0.283424  1
  Sm  Sm64  1  0.546642  0.817332  0.283357  1
  Sm  Sm65  1  0.879659  0.484086  0.283535  1
  Sm  Sm66  1  0.985886  0.818286  0.249353  1
  Sm  Sm67  1  0.213035  0.150714  0.283319  1
  Sm  Sm68  1  0.319172  0.484969  0.249510  1
  Sm  Sm69  1  0.261977  0.817624  0.266818  1
  Sm  Sm70  1  0.652613  0.152141  0.248948  1
  Sm  Sm71  1  0.595110  0.484445  0.266982  1
  Sm  Sm72  1  0.928829  0.152742  0.266702  1
  Sm  Sm73  1  0.352299  0.852137  0.310785  1
  Sm  Sm74  1  0.684046  0.518975  0.310918  1
  Sm  Sm75  1  0.786927  0.855447  0.269872  1
  Sm  Sm76  1  1.018040  0.185632  0.311466  1
  Sm  Sm77  1  0.118999  0.521893  0.269772  1
  Sm  Sm78  1  0.072727  0.852694  0.292261  1
  Sm  Sm79  1  0.454013  0.187920  0.270000  1
  Sm  Sm80  1  0.405292  0.519613  0.292369  1
  Sm  Sm81  1  0.738026  0.187298  0.291871  1
  Sm  Sm82  1  0.316042  0.886855  0.351616  1
  Sm  Sm83  1  0.649025  0.553725  0.351737  1
  Sm  Sm84  1  0.785124  0.890063  0.315744  1
  Sm  Sm85  1  0.982225  0.220510  0.351605  1
  Sm  Sm86  1  0.118530  0.556401  0.316006  1
  Sm  Sm87  1  0.052308  0.888671  0.333634  1
  Sm  Sm88  1  0.452742  0.222916  0.315761  1
  Sm  Sm89  1  0.385651  0.555710  0.333978  1
  Sm  Sm90  1  0.719002  0.222754  0.334068  1
  Sm  Sm91  1  0.208942  0.927021  0.317461  1
  Sm  Sm92  1  0.541484  0.594852  0.317495  1
  Sm  Sm93  1  0.475047  0.924627  0.333906  1
  Sm  Sm94  1  0.874833  0.261810  0.317593  1
  Sm  Sm95  1  0.808786  0.591380  0.334021  1
  Sm  Sm96  1  0.732165  0.924403  0.353655  1
  Sm  Sm97  1  0.142244  0.257988  0.333885  1
  Sm  Sm98  1  0.066388  0.590589  0.354391  1
  Sm  Sm99  1  0.400018  0.257135  0.354291  1
  Sm  Sm100  1  0.282681  0.960660  0.360959  1
  Sm  Sm101  1  0.619814  0.627229  0.360964  1
  Sm  Sm102  1  0.745076  0.962547  0.325617  1
  Sm  Sm103  1  0.953258  0.294012  0.361019  1
  Sm  Sm104  1  0.078225  0.628867  0.327775  1
  Sm  Sm105  1  1.017081  0.961792  0.342293  1
  Sm  Sm106  1  0.411509  0.295518  0.327776  1
  Sm  Sm107  1  0.349307  0.628881  0.341761  1
  Sm  Sm108  1  0.682559  0.295656  0.341714  1
  Sm  Sm109  1  0.521264  0.666128  0.328195  1
  Sm  Sm110  1  0.854640  0.332863  0.328205  1
  Sm  Sm111  1  0.789249  0.664929  0.346590  1
  Sm  Sm112  1  0.184102  1.000023  0.326980  1
  Sm  Sm113  1  0.122712  0.331646  0.346614  1
  Sm  Sm114  1  0.047620  0.664616  0.365170  1
  Sm  Sm115  1  0.450065  0.998696  0.345690  1
  Sm  Sm116  1  0.381150  0.331294  0.365166  1
  Sm  Sm117  1  0.911923  0.001556  0.310328  1
  Sm  Sm118  1  0.200871  0.702113  0.347508  1
  Sm  Sm119  1  0.534250  0.368829  0.347565  1
  Sm  Sm120  1  0.681139  0.704935  0.312759  1
  Sm  Sm121  1  0.865346  0.035894  0.348555  1
  Sm  Sm122  1  1.014492  0.371670  0.312810  1
  Sm  Sm123  1  0.944862  0.703563  0.329960  1
  Sm  Sm124  1  0.342573  0.039157  0.311452  1
  Sm  Sm125  1  0.278244  0.370287  0.330010  1
  Sm  Sm126  1  0.609766  0.036504  0.328325  1
  Sm  Sm127  1  0.219402  0.740341  0.321195  1
  Sm  Sm128  1  0.552555  0.407087  0.321291  1
  Sm  Sm129  1  0.488267  0.739414  0.335892  1
  Sm  Sm130  1  0.876203  0.073911  0.321359  1
  Sm  Sm131  1  0.821488  0.406134  0.335957  1
  Sm  Sm132  1  0.751418  0.738572  0.355817  1
  Sm  Sm133  1  0.148740  0.073318  0.335697  1
  Sm  Sm134  1  0.084688  0.405280  0.355881  1
  Sm  Sm135  1  0.418465  0.072004  0.354645  1
  Sm  Sm136  1  0.178814  0.775898  0.358223  1
  Sm  Sm137  1  0.512081  0.442658  0.358343  1
  Sm  Sm138  1  0.653808  0.778098  0.322196  1
  Sm  Sm139  1  0.845499  0.109815  0.359072  1
  Sm  Sm140  1  0.987077  0.444795  0.322272  1
  Sm  Sm141  1  0.921242  0.776601  0.340088  1
  Sm  Sm142  1  0.318673  0.111100  0.321306  1
  Sm  Sm143  1  0.254548  0.443352  0.340171  1
  Sm  Sm144  1  0.586312  0.109937  0.340030  1
  Sm  Sm145  1  0.335155  0.814805  0.341532  1
  Sm  Sm146  1  0.668774  0.481530  0.341694  1
  Sm  Sm147  1  0.807047  0.817657  0.307032  1
  Sm  Sm148  1  1.001888  0.147492  0.340754  1
  Sm  Sm149  1  0.140449  0.484332  0.307197  1
  Sm  Sm150  1  0.076223  0.812526  0.320811  1
  Sm  Sm151  1  0.479170  0.149724  0.306151  1
  Sm  Sm152  1  0.409662  0.479389  0.321000  1
  Sm  Sm153  1  0.743233  0.148551  0.323316  1
  Sm  Sm154  1  0.150901  0.848692  0.367021  1
  Sm  Sm155  1  0.484290  0.515502  0.367232  1
  Sm  Sm156  1  0.621475  0.850982  0.331070  1
  Sm  Sm157  1  0.818825  0.182526  0.367480  1
  Sm  Sm158  1  0.954566  0.517563  0.331275  1
  Sm  Sm159  1  0.889358  0.850253  0.349363  1
  Sm  Sm160  1  0.290094  0.183909  0.331035  1
  Sm  Sm161  1  0.223157  0.516927  0.349558  1
  Sm  Sm162  1  0.556464  0.183482  0.349288  1
  Sm  Sm163  1  0.105260  0.883643  0.406942  1
  Sm  Sm164  1  0.438734  0.550435  0.407200  1
  Sm  Sm165  1  0.575751  0.885774  0.370104  1
  Sm  Sm166  1  0.771820  0.217280  0.407218  1
  Sm  Sm167  1  0.908552  0.552398  0.370258  1
  Sm  Sm168  1  0.839324  0.884920  0.388661  1
  Sm  Sm169  1  0.241946  0.218896  0.369996  1
  Sm  Sm170  1  0.173030  0.551553  0.388946  1
  Sm  Sm171  1  0.506885  0.218068  0.388734  1
  Sm  Sm172  1  0.992438  0.923637  0.371807  1
  Sm  Sm173  1  0.326762  0.590639  0.371880  1
  Sm  Sm174  1  0.259891  0.922233  0.389770  1
  Sm  Sm175  1  0.659980  0.257450  0.371897  1
  Sm  Sm176  1  0.594362  0.588932  0.389919  1
  Sm  Sm177  1  0.524495  0.920996  0.408796  1
  Sm  Sm178  1  0.927980  0.255658  0.389900  1
  Sm  Sm179  1  0.858546  0.587563  0.409123  1
  Sm  Sm180  1  0.192217  0.254177  0.409007  1
  Sm  Sm181  1  0.078625  0.956850  0.417172  1
  Sm  Sm182  1  0.414975  0.623425  0.417331  1
  Sm  Sm183  1  0.546397  0.959110  0.379712  1
  Sm  Sm184  1  0.748445  0.290155  0.417310  1
  Sm  Sm185  1  0.882930  0.625570  0.380316  1
  Sm  Sm186  1  0.812667  0.958077  0.398836  1
  Sm  Sm187  1  0.216408  0.292220  0.380265  1
  Sm  Sm188  1  0.149122  0.624635  0.399608  1
  Sm  Sm189  1  0.482485  0.291304  0.399575  1
  Sm  Sm190  1  0.308439  0.662681  0.382710  1
  Sm  Sm191  1  0.641898  0.329392  0.382737  1
  Sm  Sm192  1  0.571974  0.661981  0.400991  1
  Sm  Sm193  1  0.972455  0.996171  0.382449  1
  Sm  Sm194  1  0.905319  0.328732  0.401036  1
  Sm  Sm195  1  0.836720  0.660808  0.420067  1
  Sm  Sm196  1  0.235856  0.995447  0.400667  1
  Sm  Sm197  1  0.170183  0.327471  0.420047  1
  Sm  Sm198  1  0.708118  0.997923  0.365144  1
  Sm  Sm199  1  0.991966  0.699297  0.403737  1
  Sm  Sm200  1  0.325372  0.365979  0.403775  1
  Sm  Sm201  1  0.459265  0.701818  0.365668  1
  Sm  Sm202  1  0.655407  0.032789  0.403188  1
  Sm  Sm203  1  0.792597  0.368546  0.365716  1
  Sm  Sm204  1  0.726416  0.700272  0.384609  1
  Sm  Sm205  1  0.124689  0.035262  0.365453  1
  Sm  Sm206  1  0.059766  0.366980  0.384657  1
  Sm  Sm207  1  0.391627  0.033821  0.383697  1
  Sm  Sm208  1  1.016143  0.737378  0.374749  1
  Sm  Sm209  1  0.349425  0.404090  0.374810  1
  Sm  Sm210  1  0.282358  0.735999  0.393413  1
  Sm  Sm211  1  0.681080  0.070759  0.374026  1
  Sm  Sm212  1  0.615612  0.402708  0.393498  1
  Sm  Sm213  1  0.546950  0.734971  0.411492  1
  Sm  Sm214  1  0.947275  0.069656  0.393459  1
  Sm  Sm215  1  0.880185  0.401673  0.411590  1
  Sm  Sm216  1  0.212869  0.068307  0.411062  1
  Sm  Sm217  1  0.968960  0.772490  0.414129  1
  Sm  Sm218  1  0.302273  0.439174  0.414200  1
  Sm  Sm219  1  0.439890  0.774151  0.376262  1
  Sm  Sm220  1  0.634953  0.105832  0.413660  1
  Sm  Sm221  1  0.773220  0.440835  0.376382  1
  Sm  Sm222  1  0.705449  0.773473  0.394900  1
  Sm  Sm223  1  0.106528  0.107552  0.376172  1
  Sm  Sm224  1  0.038795  0.440135  0.395000  1
  Sm  Sm225  1  0.370618  0.106671  0.394512  1
  Sm  Sm226  1  0.125550  0.810743  0.396290  1
  Sm  Sm227  1  0.458856  0.477489  0.396427  1
  Sm  Sm228  1  0.591935  0.813060  0.359872  1
  Sm  Sm229  1  0.791653  0.144493  0.396944  1
  Sm  Sm230  1  0.925400  0.479693  0.360058  1
  Sm  Sm231  1  0.860039  0.811828  0.377801  1
  Sm  Sm232  1  0.259529  0.146181  0.359431  1
  Sm  Sm233  1  0.193338  0.478521  0.377940  1
  Sm  Sm234  1  0.525408  0.145258  0.377988  1
  Sm  Sm235  1  0.946783  0.845262  0.423362  1
  Sm  Sm236  1  0.280337  0.511939  0.423557  1
  Sm  Sm237  1  0.415153  0.847716  0.386692  1
  Sm  Sm238  1  0.613339  0.178703  0.423581  1
  Sm  Sm239  1  0.748334  0.514455  0.386837  1
  Sm  Sm240  1  0.681539  0.846399  0.405198  1
  Sm  Sm241  1  0.082373  0.180950  0.386624  1
  Sm  Sm242  1  1.014961  0.513047  0.405259  1
  Sm  Sm243  1  0.348197  0.179648  0.405096  1
  Sm  Sm244  1  0.897879  0.880264  0.462606  1
  Sm  Sm245  1  0.231869  0.546924  0.462881  1
  Sm  Sm246  1  0.368713  0.882777  0.425916  1
  Sm  Sm247  1  0.565248  0.213635  0.462829  1
  Sm  Sm248  1  0.702018  0.549490  0.426163  1
  Sm  Sm249  1  0.632991  0.881485  0.444236  1
  Sm  Sm250  1  0.035564  0.216094  0.425969  1
  Sm  Sm251  1  0.966639  0.548101  0.444344  1
  Sm  Sm252  1  0.300365  0.214707  0.444178  1
  Sm  Sm253  1  0.788902  0.919945  0.427845  1
  Sm  Sm254  1  0.123456  0.586530  0.428316  1
  Sm  Sm255  1  0.054106  0.918782  0.445993  1
  Sm  Sm256  1  0.457030  0.253149  0.428205  1
  Sm  Sm257  1  0.388579  0.585499  0.446261  1
  Sm  Sm258  1  0.318026  0.917791  0.464682  1
  Sm  Sm259  1  0.722032  0.252240  0.446244  1
  Sm  Sm260  1  0.652396  0.584455  0.465000  1
  Sm  Sm261  1  0.985968  0.251110  0.464915  1
  Sm  Sm262  1  0.873416  0.953458  0.472900  1
  Sm  Sm263  1  0.209315  0.620017  0.473487  1
  Sm  Sm264  1  0.343058  0.955797  0.435611  1
  Sm  Sm265  1  0.542754  0.286690  0.473439  1
  Sm  Sm266  1  0.678503  0.622390  0.435909  1
  Sm  Sm267  1  0.607827  0.954789  0.454236  1
  Sm  Sm268  1  1.012038  0.289075  0.435888  1
  Sm  Sm269  1  0.943264  0.621316  0.454626  1
  Sm  Sm270  1  0.276790  0.287961  0.454574  1
  Sm  Sm271  1  0.101584  0.659735  0.438866  1
  Sm  Sm272  1  0.435078  0.326408  0.438864  1
  Sm  Sm273  1  0.366614  0.658335  0.456821  1
  Sm  Sm274  1  0.765243  0.993154  0.438247  1
  Sm  Sm275  1  0.700033  0.325036  0.456863  1
  Sm  Sm276  1  0.630483  0.657390  0.475502  1
  Sm  Sm277  1  0.030292  0.991864  0.456531  1
  Sm  Sm278  1  0.963955  0.324062  0.475513  1
  Sm  Sm279  1  0.499601  0.994304  0.419700  1
  Sm  Sm280  1  0.786153  0.695893  0.459173  1
  Sm  Sm281  1  0.119542  0.362548  0.459207  1
  Sm  Sm282  1  0.257347  0.697853  0.422060  1
  Sm  Sm283  1  0.450284  0.029333  0.458800  1
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