# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   41.30657446
_cell_length_b   25.40830156
_cell_length_c   50.19064730
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.23308224
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm576
_cell_volume   45726.0286253
_cell_formula_units_Z   576
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  0.595560  0.371291  0.331094  1
  Sm  Sm2  1  0.628871  0.118781  0.294240  1
  Sm  Sm3  1  0.271111  0.270503  0.278031  1
  Sm  Sm4  1  0.608787  0.998780  0.311204  1
  Sm  Sm5  1  0.296140  0.110050  0.292514  1
  Sm  Sm6  1  0.595597  0.871354  0.331224  1
  Sm  Sm7  1  0.933468  0.271087  0.278390  1
  Sm  Sm8  1  0.268660  1.001315  0.312777  1
  Sm  Sm9  1  0.628795  0.619183  0.294169  1
  Sm  Sm10  1  0.961135  0.108444  0.292667  1
  Sm  Sm11  1  0.271000  0.770550  0.277892  1
  Sm  Sm12  1  0.608675  0.499030  0.311054  1
  Sm  Sm13  1  0.933805  0.999534  0.313216  1
  Sm  Sm14  1  0.296092  0.610016  0.292461  1
  Sm  Sm15  1  0.933509  0.770850  0.278557  1
  Sm  Sm16  1  0.268682  0.501169  0.312820  1
  Sm  Sm17  1  0.961199  0.608284  0.292851  1
  Sm  Sm18  1  0.933842  0.499652  0.313332  1
  Sm  Sm19  1  0.773464  0.143642  0.292860  1
  Sm  Sm20  1  0.756472  0.020643  0.310280  1
  Sm  Sm21  1  0.440032  0.134694  0.295432  1
  Sm  Sm22  1  0.782079  0.775960  0.276061  1
  Sm  Sm23  1  0.421712  0.009225  0.306587  1
  Sm  Sm24  1  0.773517  0.643507  0.293046  1
  Sm  Sm25  1  0.104179  0.131615  0.294654  1
  Sm  Sm26  1  0.446667  0.769437  0.276839  1
  Sm  Sm27  1  0.756384  0.520791  0.310169  1
  Sm  Sm28  1  0.085621  0.009528  0.306588  1
  Sm  Sm29  1  0.439997  0.634819  0.295281  1
  Sm  Sm30  1  0.781909  0.276401  0.275799  1
  Sm  Sm31  1  0.115618  0.762012  0.278546  1
  Sm  Sm32  1  0.421652  0.509239  0.306480  1
  Sm  Sm33  1  0.104148  0.631388  0.294807  1
  Sm  Sm34  1  0.446598  0.269316  0.276913  1
  Sm  Sm35  1  0.085628  0.509440  0.306779  1
  Sm  Sm36  1  0.115712  0.262240  0.278536  1
  Sm  Sm37  1  0.856797  0.979417  0.282957  1
  Sm  Sm38  1  0.837966  0.860067  0.299513  1
  Sm  Sm39  1  0.524755  0.986992  0.283041  1
  Sm  Sm40  1  0.858030  0.708329  0.317046  1
  Sm  Sm41  1  0.518771  0.849445  0.298961  1
  Sm  Sm42  1  0.856850  0.479663  0.282880  1
  Sm  Sm43  1  0.192449  0.979338  0.282218  1
  Sm  Sm44  1  0.523081  0.708037  0.317725  1
  Sm  Sm45  1  0.837937  0.360281  0.299349  1
  Sm  Sm46  1  0.178197  0.856045  0.299992  1
  Sm  Sm47  1  0.524679  0.486996  0.282971  1
  Sm  Sm48  1  0.857905  0.208357  0.316845  1
  Sm  Sm49  1  0.193330  0.710096  0.316802  1
  Sm  Sm50  1  0.518693  0.349399  0.298965  1
  Sm  Sm51  1  0.192475  0.479220  0.282331  1
  Sm  Sm52  1  0.523079  0.207876  0.317786  1
  Sm  Sm53  1  0.178263  0.356025  0.300071  1
  Sm  Sm54  1  0.193409  0.210203  0.316823  1
  Sm  Sm55  1  0.688798  0.315574  0.300805  1
  Sm  Sm56  1  0.682403  0.180267  0.321615  1
  Sm  Sm57  1  0.350850  0.298425  0.303266  1
  Sm  Sm58  1  0.708449  0.942498  0.283889  1
  Sm  Sm59  1  0.350304  0.163493  0.325032  1
  Sm  Sm60  1  0.688876  0.815551  0.301020  1
  Sm  Sm61  1  0.016653  0.295704  0.303496  1
  Sm  Sm62  1  0.361482  0.926395  0.285987  1
  Sm  Sm63  1  0.682394  0.680365  0.321750  1
  Sm  Sm64  1  0.014497  0.163473  0.325167  1
  Sm  Sm65  1  0.350814  0.798660  0.303089  1
  Sm  Sm66  1  0.708273  0.442787  0.283732  1
  Sm  Sm67  1  0.027996  0.921946  0.286866  1
  Sm  Sm68  1  0.350298  0.663665  0.324784  1
  Sm  Sm69  1  0.016635  0.795517  0.303488  1
  Sm  Sm70  1  0.361443  0.426266  0.285967  1
  Sm  Sm71  1  0.014476  0.663264  0.325429  1
  Sm  Sm72  1  0.028080  0.421911  0.287100  1
  Sm  Sm73  1  0.586862  0.481850  0.386558  1
  Sm  Sm74  1  0.594579  0.236741  0.350105  1
  Sm  Sm75  1  0.259430  0.372696  0.333155  1
  Sm  Sm76  1  0.590045  0.109610  0.368782  1
  Sm  Sm77  1  0.262326  0.237800  0.349918  1
  Sm  Sm78  1  0.586937  0.981788  0.386746  1
  Sm  Sm79  1  0.925514  0.371044  0.333092  1
  Sm  Sm80  1  0.256791  0.112694  0.368269  1
  Sm  Sm81  1  0.594533  0.736944  0.350127  1
  Sm  Sm82  1  0.926353  0.238431  0.349812  1
  Sm  Sm83  1  0.259438  0.872743  0.332986  1
  Sm  Sm84  1  0.589982  0.609780  0.368678  1
  Sm  Sm85  1  0.922696  0.111761  0.368274  1
  Sm  Sm86  1  0.262337  0.737730  0.349739  1
  Sm  Sm87  1  0.925491  0.870831  0.333202  1
  Sm  Sm88  1  0.256786  0.612560  0.368186  1
  Sm  Sm89  1  0.926382  0.738316  0.350093  1
  Sm  Sm90  1  0.922788  0.611748  0.368540  1
  Sm  Sm91  1  0.761298  0.239638  0.350755  1
  Sm  Sm92  1  0.755134  0.111677  0.369185  1
  Sm  Sm93  1  0.426680  0.240472  0.349714  1
  Sm  Sm94  1  0.765701  0.870298  0.337074  1
  Sm  Sm95  1  0.423416  0.110190  0.369012  1
  Sm  Sm96  1  0.761373  0.739677  0.350968  1
  Sm  Sm97  1  0.092772  0.240382  0.349427  1
  Sm  Sm98  1  0.434158  0.869031  0.333976  1
  Sm  Sm99  1  0.755194  0.611782  0.369223  1
  Sm  Sm100  1  0.088801  0.111071  0.368475  1
  Sm  Sm101  1  0.426628  0.740619  0.349564  1
  Sm  Sm102  1  0.765651  0.370395  0.336862  1
  Sm  Sm103  1  0.099894  0.868031  0.334744  1
  Sm  Sm104  1  0.423402  0.610170  0.368839  1
  Sm  Sm105  1  0.092768  0.740042  0.349503  1
  Sm  Sm106  1  0.434133  0.368922  0.333977  1
  Sm  Sm107  1  0.088794  0.610796  0.368711  1
  Sm  Sm108  1  0.099978  0.368161  0.334904  1
  Sm  Sm109  1  0.844740  0.088026  0.339385  1
  Sm  Sm110  1  0.838427  0.961861  0.355551  1
  Sm  Sm111  1  0.514739  0.087136  0.339116  1
  Sm  Sm112  1  0.841463  0.828299  0.375995  1
  Sm  Sm113  1  0.504707  0.962541  0.353406  1
  Sm  Sm114  1  0.844835  0.588286  0.339418  1
  Sm  Sm115  1  0.178679  0.093094  0.337627  1
  Sm  Sm116  1  0.508363  0.829428  0.374395  1
  Sm  Sm117  1  0.838418  0.462232  0.355363  1
  Sm  Sm118  1  0.170241  0.966134  0.353432  1
  Sm  Sm119  1  0.514665  0.587289  0.338988  1
  Sm  Sm120  1  0.841436  0.328509  0.375747  1
  Sm  Sm121  1  0.174913  0.829497  0.374890  1
  Sm  Sm122  1  0.504671  0.462528  0.353321  1
  Sm  Sm123  1  0.178672  0.592857  0.337738  1
  Sm  Sm124  1  0.508384  0.329231  0.374389  1
  Sm  Sm125  1  0.170214  0.465965  0.353606  1
  Sm  Sm126  1  0.174923  0.329518  0.375047  1
  Sm  Sm127  1  0.674877  0.397584  0.362191  1
  Sm  Sm128  1  0.670255  0.269498  0.380391  1
  Sm  Sm129  1  0.339828  0.394834  0.361816  1
  Sm  Sm130  1  0.680628  0.028994  0.347612  1
  Sm  Sm131  1  0.337346  0.267281  0.380733  1
  Sm  Sm132  1  0.674959  0.897497  0.362442  1
  Sm  Sm133  1  0.005833  0.393631  0.362248  1
  Sm  Sm134  1  0.346475  0.023485  0.347108  1
  Sm  Sm135  1  0.670301  0.769478  0.380590  1
  Sm  Sm136  1  0.003970  0.266052  0.380949  1
  Sm  Sm137  1  0.339808  0.894942  0.361779  1
  Sm  Sm138  1  0.680568  0.529146  0.347484  1
  Sm  Sm139  1  0.012011  0.022147  0.347352  1
  Sm  Sm140  1  0.337355  0.767326  0.380533  1
  Sm  Sm141  1  0.005796  0.893478  0.362043  1
  Sm  Sm142  1  0.346503  0.523409  0.347008  1
  Sm  Sm143  1  0.003965  0.765919  0.381040  1
  Sm  Sm144  1  0.012036  0.522174  0.347649  1
  Sm  Sm145  1  0.573213  0.597654  0.442476  1
  Sm  Sm146  1  0.581855  0.355765  0.404955  1
  Sm  Sm147  1  0.251746  0.485402  0.387033  1
  Sm  Sm148  1  0.578379  0.225819  0.423996  1
  Sm  Sm149  1  0.248468  0.355768  0.405096  1
  Sm  Sm150  1  0.573314  0.097522  0.442613  1
  Sm  Sm151  1  0.918865  0.484026  0.388072  1
  Sm  Sm152  1  0.244578  0.226265  0.424598  1
  Sm  Sm153  1  0.581864  0.855822  0.405080  1
  Sm  Sm154  1  0.915763  0.353795  0.405606  1
  Sm  Sm155  1  0.251754  0.985560  0.386951  1
  Sm  Sm156  1  0.578327  0.725970  0.424006  1
  Sm  Sm157  1  0.911125  0.225330  0.425085  1
  Sm  Sm158  1  0.248526  0.855853  0.404853  1
  Sm  Sm159  1  0.918789  0.983861  0.387954  1
  Sm  Sm160  1  0.244731  0.726153  0.424301  1
  Sm  Sm161  1  0.915752  0.853521  0.405809  1
  Sm  Sm162  1  0.911095  0.725153  0.425495  1
  Sm  Sm163  1  0.748587  0.355625  0.406483  1
  Sm  Sm164  1  0.744116  0.226791  0.424238  1
  Sm  Sm165  1  0.414754  0.356098  0.404846  1
  Sm  Sm166  1  0.755023  0.982205  0.389877  1
  Sm  Sm167  1  0.411355  0.225835  0.423688  1
  Sm  Sm168  1  0.748704  0.855592  0.406778  1
  Sm  Sm169  1  0.081127  0.355655  0.405199  1
  Sm  Sm170  1  0.420518  0.983823  0.387570  1
  Sm  Sm171  1  0.744184  0.726918  0.424454  1
  Sm  Sm172  1  0.077727  0.225800  0.423871  1
  Sm  Sm173  1  0.414707  0.856246  0.404828  1
  Sm  Sm174  1  0.755037  0.482308  0.389686  1
  Sm  Sm175  1  0.086892  0.983677  0.387464  1
  Sm  Sm176  1  0.411329  0.725979  0.423499  1
  Sm  Sm177  1  0.081078  0.855442  0.404983  1
  Sm  Sm178  1  0.420562  0.483683  0.387474  1
  Sm  Sm179  1  0.077723  0.725344  0.423967  1
  Sm  Sm180  1  0.086836  0.483692  0.387807  1
  Sm  Sm181  1  0.834917  0.203837  0.392809  1
  Sm  Sm182  1  0.829623  0.074874  0.411451  1
  Sm  Sm183  1  0.501655  0.204459  0.392223  1
  Sm  Sm184  1  0.827203  0.944707  0.430889  1
  Sm  Sm185  1  0.497588  0.073696  0.410604  1
  Sm  Sm186  1  0.835003  0.703776  0.393048  1
  Sm  Sm187  1  0.168006  0.204432  0.392124  1
  Sm  Sm188  1  0.493324  0.945095  0.429369  1
  Sm  Sm189  1  0.829699  0.575009  0.411482  1
  Sm  Sm190  1  0.163035  0.075057  0.410462  1
  Sm  Sm191  1  0.501617  0.704662  0.392106  1
  Sm  Sm192  1  0.827225  0.444992  0.430698  1
  Sm  Sm193  1  0.159750  0.945508  0.429243  1
  Sm  Sm194  1  0.497554  0.573810  0.410454  1
  Sm  Sm195  1  0.167991  0.704267  0.392122  1
  Sm  Sm196  1  0.493340  0.445023  0.429239  1
  Sm  Sm197  1  0.163022  0.574811  0.410622  1
  Sm  Sm198  1  0.159710  0.445387  0.429514  1
  Sm  Sm199  1  0.662348  0.508809  0.418695  1
  Sm  Sm200  1  0.658408  0.379473  0.436721  1
  Sm  Sm201  1  0.328632  0.508189  0.418230  1
  Sm  Sm202  1  0.666968  0.138686  0.399554  1
  Sm  Sm203  1  0.324924  0.379190  0.436471  1
  Sm  Sm204  1  0.662443  0.008671  0.418957  1
  Sm  Sm205  1  0.995156  0.507714  0.418997  1
  Sm  Sm206  1  0.333414  0.137970  0.399871  1
  Sm  Sm207  1  0.658473  0.879422  0.437017  1
  Sm  Sm208  1  0.991606  0.378554  0.437182  1
  Sm  Sm209  1  0.328539  0.008351  0.418363  1
  Sm  Sm210  1  0.666948  0.638767  0.399552  1
  Sm  Sm211  1  0.999192  0.137699  0.399690  1
  Sm  Sm212  1  0.324910  0.879325  0.436455  1
  Sm  Sm213  1  0.995163  0.007582  0.418508  1
  Sm  Sm214  1  0.333497  0.637881  0.399619  1
  Sm  Sm215  1  0.991564  0.878343  0.436894  1
  Sm  Sm216  1  0.999185  0.637680  0.400084  1
  Sm  Sm217  1  0.561181  0.710742  0.497787  1
  Sm  Sm218  1  0.569244  0.468634  0.460485  1
  Sm  Sm219  1  0.239842  0.597986  0.442339  1
  Sm  Sm220  1  0.565449  0.339568  0.479217  1
  Sm  Sm221  1  0.235613  0.469032  0.460612  1
  Sm  Sm222  1  0.561377  0.210516  0.497838  1
  Sm  Sm223  1  0.906440  0.597297  0.443245  1
  Sm  Sm224  1  0.231889  0.339971  0.479524  1
  Sm  Sm225  1  0.569313  0.968596  0.460688  1
  Sm  Sm226  1  0.902611  0.468361  0.461458  1
  Sm  Sm227  1  0.239761  0.098127  0.442475  1
  Sm  Sm228  1  0.565426  0.839699  0.479368  1
  Sm  Sm229  1  0.899016  0.339342  0.479937  1
  Sm  Sm230  1  0.235640  0.969153  0.460490  1
  Sm  Sm231  1  0.906384  0.097317  0.442850  1
  Sm  Sm232  1  0.232124  0.839924  0.479100  1
  Sm  Sm233  1  0.902485  0.968230  0.461339  1
  Sm  Sm234  1  0.898910  0.838994  0.480260  1
  Sm  Sm235  1  0.736308  0.468930  0.461784  1
  Sm  Sm236  1  0.731851  0.339849  0.479799  1
  Sm  Sm237  1  0.402912  0.468478  0.460619  1
  Sm  Sm238  1  0.740488  0.098155  0.443454  1
  Sm  Sm239  1  0.398615  0.339563  0.479155  1
  Sm  Sm240  1  0.736410  0.968844  0.462141  1
  Sm  Sm241  1  0.069352  0.468169  0.461170  1
  Sm  Sm242  1  0.407423  0.097623  0.443153  1
  Sm  Sm243  1  0.731920  0.839976  0.480163  1
  Sm  Sm244  1  0.065269  0.339489  0.479642  1
  Sm  Sm245  1  0.402770  0.968613  0.460735  1
  Sm  Sm246  1  0.740531  0.598308  0.443410  1
  Sm  Sm247  1  0.073475  0.097593  0.442792  1
  Sm  Sm248  1  0.398556  0.839786  0.479164  1
  Sm  Sm249  1  0.069405  0.968024  0.460629  1
  Sm  Sm250  1  0.407470  0.597646  0.442937  1
  Sm  Sm251  1  0.065269  0.838947  0.479269  1
  Sm  Sm252  1  0.073433  0.597351  0.443218  1
  Sm  Sm253  1  0.822327  0.316476  0.449272  1
  Sm  Sm254  1  0.817999  0.187402  0.467140  1
  Sm  Sm255  1  0.489045  0.316056  0.448200  1
  Sm  Sm256  1  0.814051  0.058712  0.485997  1
  Sm  Sm257  1  0.484804  0.186937  0.466601  1
  Sm  Sm258  1  0.822346  0.816346  0.449665  1
  Sm  Sm259  1  0.155395  0.316456  0.448563  1
  Sm  Sm260  1  0.480973  0.058352  0.485382  1
  Sm  Sm261  1  0.818067  0.687424  0.467400  1
  Sm  Sm262  1  0.151416  0.187393  0.466528  1
  Sm  Sm263  1  0.488982  0.816282  0.448166  1
  Sm  Sm264  1  0.814180  0.558835  0.486055  1
  Sm  Sm265  1  0.147349  0.058797  0.485096  1
  Sm  Sm266  1  0.484734  0.687210  0.466439  1
  Sm  Sm267  1  0.155482  0.816227  0.448297  1
  Sm  Sm268  1  0.480953  0.558518  0.485154  1
  Sm  Sm269  1  0.151456  0.687004  0.466570  1
  Sm  Sm270  1  0.147318  0.558484  0.485361  1
  Sm  Sm271  1  0.650110  0.621543  0.473649  1
  Sm  Sm272  1  0.645547  0.492390  0.492157  1
  Sm  Sm273  1  0.316993  0.620823  0.473472  1
  Sm  Sm274  1  0.654129  0.250837  0.454907  1
  Sm  Sm275  1  0.312328  0.491978  0.491936  1
  Sm  Sm276  1  0.650257  0.121384  0.473723  1
  Sm  Sm277  1  0.983235  0.620475  0.474356  1
  Sm  Sm278  1  0.320716  0.250564  0.454969  1
  Sm  Sm279  1  0.645621  0.992272  0.492589  1
  Sm  Sm280  1  0.978876  0.491749  0.493019  1
  Sm  Sm281  1  0.316756  0.121014  0.473776  1
  Sm  Sm282  1  0.654136  0.750844  0.455082  1
  Sm  Sm283  1  0.987490  0.249768  0.455229  1
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  Sm  Sm574  1  0.270085  0.211331  0.679871  1
  Sm  Sm575  1  0.931569  0.433827  0.713490  1
  Sm  Sm576  1  0.947693  0.198721  0.678850  1
