# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   71.01293436
_cell_length_b   15.36247441
_cell_length_c   46.58151938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.31082455
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm648
_cell_volume   50360.4565547
_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  0.840702  0.712355  0.277589  1
  Sm  Sm2  1  0.507680  0.706763  0.277593  1
  Sm  Sm3  1  0.662222  0.610357  0.295272  1
  Sm  Sm4  1  0.827361  0.506710  0.312360  1
  Sm  Sm5  1  0.173804  0.712508  0.277534  1
  Sm  Sm6  1  0.329805  0.611318  0.295113  1
  Sm  Sm7  1  0.494461  0.505019  0.312166  1
  Sm  Sm8  1  0.674308  0.205824  0.277576  1
  Sm  Sm9  1  0.828994  0.111699  0.295222  1
  Sm  Sm10  1  1.001466  0.608777  0.294094  1
  Sm  Sm11  1  0.159570  0.507234  0.312509  1
  Sm  Sm12  1  0.340868  0.205789  0.277469  1
  Sm  Sm13  1  0.495558  0.110730  0.295272  1
  Sm  Sm14  1  0.661163  0.004750  0.312164  1
  Sm  Sm15  1  1.006832  0.205627  0.277771  1
  Sm  Sm16  1  0.161980  0.112196  0.294955  1
  Sm  Sm17  1  0.328400  1.003679  0.311570  1
  Sm  Sm18  1  0.995158  1.003668  0.311714  1
  Sm  Sm19  1  0.907017  0.670290  0.285175  1
  Sm  Sm20  1  0.572350  0.670714  0.284468  1
  Sm  Sm21  1  0.742170  0.557592  0.301674  1
  Sm  Sm22  1  0.911744  0.452001  0.320796  1
  Sm  Sm23  1  0.238763  0.671397  0.284403  1
  Sm  Sm24  1  0.408700  0.557537  0.301762  1
  Sm  Sm25  1  0.581478  0.275176  0.271998  1
  Sm  Sm26  1  0.739140  0.169568  0.284390  1
  Sm  Sm27  1  0.910133  0.063603  0.301990  1
  Sm  Sm28  1  0.069595  0.560951  0.298987  1
  Sm  Sm29  1  0.244847  0.452891  0.320801  1
  Sm  Sm30  1  0.405762  0.170176  0.284400  1
  Sm  Sm31  1  0.575770  0.058295  0.301948  1
  Sm  Sm32  1  0.748494  0.773941  0.272165  1
  Sm  Sm33  1  0.072649  0.170202  0.284644  1
  Sm  Sm34  1  0.243417  0.063780  0.301658  1
  Sm  Sm35  1  0.415259  0.773533  0.272070  1
  Sm  Sm36  1  0.082487  0.771444  0.272770  1
  Sm  Sm37  1  0.955394  0.492875  0.277049  1
  Sm  Sm38  1  0.618990  0.485673  0.276600  1
  Sm  Sm39  1  0.787428  0.377208  0.291934  1
  Sm  Sm40  1  0.953777  0.268027  0.306337  1
  Sm  Sm41  1  0.287194  0.493720  0.276524  1
  Sm  Sm42  1  0.453976  0.377184  0.291895  1
  Sm  Sm43  1  0.623132  0.268936  0.308755  1
  Sm  Sm44  1  0.786353  0.984405  0.276587  1
  Sm  Sm45  1  0.954005  0.877678  0.292028  1
  Sm  Sm46  1  0.119465  0.378567  0.291958  1
  Sm  Sm47  1  0.287146  0.268226  0.305931  1
  Sm  Sm48  1  0.452369  0.985423  0.276565  1
  Sm  Sm49  1  0.620655  0.877241  0.291915  1
  Sm  Sm50  1  0.790064  0.769530  0.308986  1
  Sm  Sm51  1  0.119103  0.985324  0.276587  1
  Sm  Sm52  1  0.287641  0.876913  0.291893  1
  Sm  Sm53  1  0.456718  0.769302  0.308884  1
  Sm  Sm54  1  0.123929  0.773115  0.309473  1
  Sm  Sm55  1  0.872222  0.880734  0.290566  1
  Sm  Sm56  1  0.538106  0.878690  0.290784  1
  Sm  Sm57  1  0.702105  0.753449  0.309018  1
  Sm  Sm58  1  0.871750  0.484464  0.275029  1
  Sm  Sm59  1  0.205049  0.883518  0.290107  1
  Sm  Sm60  1  0.369108  0.754709  0.308917  1
  Sm  Sm61  1  0.540170  0.472840  0.275931  1
  Sm  Sm62  1  0.704773  0.376966  0.290907  1
  Sm  Sm63  1  0.869435  0.258526  0.307211  1
  Sm  Sm64  1  0.035546  0.764885  0.308334  1
  Sm  Sm65  1  0.204234  0.484086  0.275355  1
  Sm  Sm66  1  0.371202  0.376478  0.291062  1
  Sm  Sm67  1  0.535464  0.254030  0.309067  1
  Sm  Sm68  1  0.706921  0.971311  0.276027  1
  Sm  Sm69  1  0.037334  0.371745  0.292487  1
  Sm  Sm70  1  0.202661  0.258628  0.306775  1
  Sm  Sm71  1  0.374215  0.972057  0.275329  1
  Sm  Sm72  1  0.041263  0.975669  0.274368  1
  Sm  Sm73  1  0.828941  0.900251  0.329129  1
  Sm  Sm74  1  0.495153  0.899757  0.329125  1
  Sm  Sm75  1  0.659322  0.798264  0.346818  1
  Sm  Sm76  1  0.825409  0.700069  0.363226  1
  Sm  Sm77  1  0.162209  0.901246  0.329206  1
  Sm  Sm78  1  0.326165  0.798139  0.346822  1
  Sm  Sm79  1  0.492192  0.699686  0.363060  1
  Sm  Sm80  1  0.661721  0.399441  0.329036  1
  Sm  Sm81  1  0.826577  0.297257  0.346628  1
  Sm  Sm82  1  0.992878  0.797211  0.346867  1
  Sm  Sm83  1  0.158494  0.700284  0.363310  1
  Sm  Sm84  1  0.327897  0.398778  0.328657  1
  Sm  Sm85  1  0.492706  0.298263  0.346833  1
  Sm  Sm86  1  0.658823  0.199629  0.362965  1
  Sm  Sm87  1  0.994044  0.400585  0.329431  1
  Sm  Sm88  1  0.160161  0.295992  0.346230  1
  Sm  Sm89  1  0.325042  0.199549  0.361728  1
  Sm  Sm90  1  0.991831  0.198988  0.361982  1
  Sm  Sm91  1  0.910872  0.851726  0.338475  1
  Sm  Sm92  1  0.577222  0.851756  0.338608  1
  Sm  Sm93  1  0.742839  0.748424  0.353806  1
  Sm  Sm94  1  0.910181  0.649379  0.372071  1
  Sm  Sm95  1  0.243891  0.852594  0.337996  1
  Sm  Sm96  1  0.409701  0.748020  0.353936  1
  Sm  Sm97  1  0.578754  0.455982  0.323584  1
  Sm  Sm98  1  0.744015  0.351458  0.338523  1
  Sm  Sm99  1  0.909749  0.247149  0.354433  1
  Sm  Sm100  1  0.075839  0.747461  0.353866  1
  Sm  Sm101  1  0.243321  0.649622  0.371854  1
  Sm  Sm102  1  0.410541  0.351563  0.338506  1
  Sm  Sm103  1  0.576263  0.248435  0.353985  1
  Sm  Sm104  1  0.745616  0.955747  0.323432  1
  Sm  Sm105  1  0.077234  0.353688  0.338625  1
  Sm  Sm106  1  0.242930  0.247205  0.354011  1
  Sm  Sm107  1  0.412243  0.955548  0.323577  1
  Sm  Sm108  1  0.078834  0.955891  0.323700  1
  Sm  Sm109  1  0.952551  0.670709  0.325813  1
  Sm  Sm110  1  0.617458  0.673418  0.326352  1
  Sm  Sm111  1  0.783336  0.575386  0.342221  1
  Sm  Sm112  1  0.951448  0.471417  0.359881  1
  Sm  Sm113  1  0.284258  0.673596  0.326167  1
  Sm  Sm114  1  0.450140  0.574758  0.342076  1
  Sm  Sm115  1  0.619425  0.474300  0.359937  1
  Sm  Sm116  1  0.784290  0.173328  0.326276  1
  Sm  Sm117  1  0.951248  0.069683  0.343838  1
  Sm  Sm118  1  0.114795  0.576743  0.340154  1
  Sm  Sm119  1  0.285422  0.472682  0.358816  1
  Sm  Sm120  1  0.450811  0.173387  0.326334  1
  Sm  Sm121  1  0.616909  0.074626  0.342361  1
  Sm  Sm122  1  0.786244  0.974142  0.359912  1
  Sm  Sm123  1  0.117448  0.174381  0.326456  1
  Sm  Sm124  1  0.284443  0.070559  0.343611  1
  Sm  Sm125  1  0.452823  0.974440  0.359956  1
  Sm  Sm126  1  0.119503  0.975248  0.360065  1
  Sm  Sm127  1  0.868538  0.039854  0.347613  1
  Sm  Sm128  1  0.534901  0.038112  0.348238  1
  Sm  Sm129  1  0.700644  0.928850  0.363824  1
  Sm  Sm130  1  0.869788  0.640721  0.334250  1
  Sm  Sm131  1  0.201668  0.040717  0.347437  1
  Sm  Sm132  1  0.367520  0.928418  0.363729  1
  Sm  Sm133  1  0.536499  0.638428  0.334516  1
  Sm  Sm134  1  0.701547  0.537555  0.348170  1
  Sm  Sm135  1  0.867454  0.429301  0.363008  1
  Sm  Sm136  1  0.034123  0.929413  0.364256  1
  Sm  Sm137  1  0.202640  0.640754  0.334308  1
  Sm  Sm138  1  0.368094  0.537081  0.348196  1
  Sm  Sm139  1  0.533956  0.429210  0.363878  1
  Sm  Sm140  1  0.703203  0.137898  0.334431  1
  Sm  Sm141  1  0.034599  0.536103  0.350110  1
  Sm  Sm142  1  0.200491  0.429677  0.362806  1
  Sm  Sm143  1  0.369768  0.137777  0.334303  1
  Sm  Sm144  1  0.036409  0.137623  0.334372  1
  Sm  Sm145  1  0.825177  0.100000  0.380106  1
  Sm  Sm146  1  0.491844  0.100867  0.379958  1
  Sm  Sm147  1  0.658379  1.002747  0.395435  1
  Sm  Sm148  1  0.824480  0.901546  0.412256  1
  Sm  Sm149  1  0.158300  0.100627  0.380154  1
  Sm  Sm150  1  0.325319  1.002361  0.395170  1
  Sm  Sm151  1  0.491185  0.902481  0.412236  1
  Sm  Sm152  1  0.658514  0.600706  0.379876  1
  Sm  Sm153  1  0.825167  0.502142  0.395359  1
  Sm  Sm154  1  0.991861  1.001993  0.395503  1
  Sm  Sm155  1  0.157750  0.901842  0.412263  1
  Sm  Sm156  1  0.325042  0.600008  0.379711  1
  Sm  Sm157  1  0.491693  0.502876  0.395438  1
  Sm  Sm158  1  0.657839  0.402377  0.412165  1
  Sm  Sm159  1  0.991515  0.599633  0.380111  1
  Sm  Sm160  1  0.158163  0.502744  0.394966  1
  Sm  Sm161  1  0.324237  0.401708  0.411503  1
  Sm  Sm162  1  0.990937  0.401588  0.411893  1
  Sm  Sm163  1  0.908937  0.048879  0.388850  1
  Sm  Sm164  1  0.575462  0.051170  0.388512  1
  Sm  Sm165  1  0.740861  0.952180  0.403257  1
  Sm  Sm166  1  0.907187  0.851111  0.420643  1
  Sm  Sm167  1  0.242170  0.049124  0.388545  1
  Sm  Sm168  1  0.407608  0.952122  0.403352  1
  Sm  Sm169  1  0.576774  0.651552  0.372905  1
  Sm  Sm170  1  0.742146  0.550935  0.388372  1
  Sm  Sm171  1  0.907285  0.451710  0.403154  1
  Sm  Sm172  1  0.074278  0.952052  0.403431  1
  Sm  Sm173  1  0.240356  0.851418  0.420369  1
  Sm  Sm174  1  0.408756  0.550953  0.388331  1
  Sm  Sm175  1  0.574188  0.452321  0.403397  1
  Sm  Sm176  1  0.743483  0.151276  0.372710  1
  Sm  Sm177  1  0.075426  0.550822  0.388394  1
  Sm  Sm178  1  0.240631  0.451844  0.402739  1
  Sm  Sm179  1  0.410038  0.151412  0.372763  1
  Sm  Sm180  1  0.076643  0.151697  0.372743  1
  Sm  Sm181  1  0.950888  0.874837  0.376076  1
  Sm  Sm182  1  0.617339  0.878510  0.375855  1
  Sm  Sm183  1  0.782921  0.779256  0.391679  1
  Sm  Sm184  1  0.949427  0.678448  0.408337  1
  Sm  Sm185  1  0.284029  0.875887  0.375965  1
  Sm  Sm186  1  0.449734  0.779283  0.391588  1
  Sm  Sm187  1  0.616175  0.680500  0.408710  1
  Sm  Sm188  1  0.784251  0.378335  0.375594  1
  Sm  Sm189  1  0.949827  0.277552  0.391241  1
  Sm  Sm190  1  0.116011  0.779121  0.391453  1
  Sm  Sm191  1  0.282711  0.678691  0.408156  1
  Sm  Sm192  1  0.450691  0.378514  0.375813  1
  Sm  Sm193  1  0.616362  0.279339  0.391612  1
  Sm  Sm194  1  0.782843  0.180463  0.408558  1
  Sm  Sm195  1  0.118022  0.377782  0.376015  1
  Sm  Sm196  1  0.283024  0.278685  0.390746  1
  Sm  Sm197  1  0.449467  0.180564  0.408672  1
  Sm  Sm198  1  0.116016  0.180586  0.408787  1
  Sm  Sm199  1  0.866413  0.229533  0.397611  1
  Sm  Sm200  1  0.533152  0.230195  0.397578  1
  Sm  Sm201  1  0.699068  0.128739  0.415141  1
  Sm  Sm202  1  0.867285  0.830863  0.380924  1
  Sm  Sm203  1  0.199710  0.229819  0.397341  1
  Sm  Sm204  1  0.365671  0.128642  0.414844  1
  Sm  Sm205  1  0.533801  0.830682  0.381234  1
  Sm  Sm206  1  0.699812  0.729923  0.397476  1
  Sm  Sm207  1  0.865721  0.628288  0.414905  1
  Sm  Sm208  1  0.032313  0.128366  0.415120  1
  Sm  Sm209  1  0.200471  0.831112  0.380644  1
  Sm  Sm210  1  0.366550  0.729406  0.397464  1
  Sm  Sm211  1  0.532403  0.628904  0.415259  1
  Sm  Sm212  1  0.700482  0.330348  0.381162  1
  Sm  Sm213  1  0.033084  0.729637  0.397717  1
  Sm  Sm214  1  0.198945  0.628555  0.414776  1
  Sm  Sm215  1  0.366970  0.329998  0.381011  1
  Sm  Sm216  1  0.033613  0.328452  0.381680  1
  Sm  Sm217  1  0.823453  0.303142  0.428365  1
  Sm  Sm218  1  0.490140  0.303701  0.428454  1
  Sm  Sm219  1  0.655926  0.203725  0.444982  1
  Sm  Sm220  1  0.822092  0.103188  0.461755  1
  Sm  Sm221  1  0.156816  0.303455  0.428277  1
  Sm  Sm222  1  0.322652  0.203362  0.444494  1
  Sm  Sm223  1  0.488629  0.103879  0.461917  1
  Sm  Sm224  1  0.656823  0.803557  0.428424  1
  Sm  Sm225  1  0.822572  0.702831  0.445003  1
  Sm  Sm226  1  0.989346  0.203075  0.444892  1
  Sm  Sm227  1  0.155358  0.103321  0.461735  1
  Sm  Sm228  1  0.323549  0.802675  0.428321  1
  Sm  Sm229  1  0.489248  0.703770  0.445013  1
  Sm  Sm230  1  0.655307  0.603763  0.461854  1
  Sm  Sm231  1  0.990215  0.802605  0.428717  1
  Sm  Sm232  1  0.155672  0.702841  0.444812  1
  Sm  Sm233  1  0.321915  0.602854  0.461610  1
  Sm  Sm234  1  0.988526  0.602751  0.461946  1
  Sm  Sm235  1  0.906448  0.252551  0.436593  1
  Sm  Sm236  1  0.573139  0.253549  0.436890  1
  Sm  Sm237  1  0.739298  0.153158  0.453471  1
  Sm  Sm238  1  0.905148  0.052850  0.470092  1
  Sm  Sm239  1  0.239739  0.252849  0.436226  1
  Sm  Sm240  1  0.405935  0.153153  0.453531  1
  Sm  Sm241  1  0.573752  0.853443  0.420795  1
  Sm  Sm242  1  0.739774  0.753293  0.436747  1
  Sm  Sm243  1  0.905853  0.652029  0.453449  1
  Sm  Sm244  1  0.072547  0.153277  0.453523  1
  Sm  Sm245  1  0.238424  0.053082  0.469753  1
  Sm  Sm246  1  0.406489  0.753376  0.436775  1
  Sm  Sm247  1  0.572634  0.653364  0.453667  1
  Sm  Sm248  1  0.740463  0.353248  0.420642  1
  Sm  Sm249  1  0.073042  0.753475  0.436974  1
  Sm  Sm250  1  0.239159  0.652097  0.453126  1
  Sm  Sm251  1  0.407035  0.353314  0.420632  1
  Sm  Sm252  1  0.073688  0.353786  0.420550  1
  Sm  Sm253  1  0.948772  0.078951  0.425222  1
  Sm  Sm254  1  0.615389  0.080047  0.425117  1
  Sm  Sm255  1  0.781268  0.979327  0.441894  1
  Sm  Sm256  1  0.947152  0.878920  0.458710  1
  Sm  Sm257  1  0.282093  0.079519  0.424884  1
  Sm  Sm258  1  0.447933  0.979477  0.441927  1
  Sm  Sm259  1  0.613828  0.880121  0.458836  1
  Sm  Sm260  1  0.782099  0.579584  0.424989  1
  Sm  Sm261  1  0.947775  0.478328  0.441804  1
  Sm  Sm262  1  0.114557  0.979220  0.441921  1
  Sm  Sm263  1  0.280427  0.879104  0.458372  1
  Sm  Sm264  1  0.448697  0.579959  0.425012  1
  Sm  Sm265  1  0.614584  0.479456  0.441958  1
  Sm  Sm266  1  0.780520  0.379785  0.458665  1
  Sm  Sm267  1  0.115259  0.579740  0.424597  1
  Sm  Sm268  1  0.281097  0.478619  0.441304  1
  Sm  Sm269  1  0.447124  0.380112  0.458778  1
  Sm  Sm270  1  0.113797  0.379952  0.458673  1
  Sm  Sm271  1  0.864276  0.427394  0.447713  1
  Sm  Sm272  1  0.530976  0.428192  0.447887  1
  Sm  Sm273  1  0.697035  0.327997  0.464464  1
  Sm  Sm274  1  0.865093  0.028127  0.431189  1
  Sm  Sm275  1  0.197472  0.427739  0.447358  1
  Sm  Sm276  1  0.363592  0.327818  0.464268  1
  Sm  Sm277  1  0.531689  0.029271  0.431403  1
  Sm  Sm278  1  0.697657  0.928000  0.447793  1
  Sm  Sm279  1  0.863618  0.827220  0.464298  1
  Sm  Sm280  1  0.030282  0.327551  0.464671  1
  Sm  Sm281  1  0.198348  0.028315  0.431000  1
  Sm  Sm282  1  0.364389  0.927824  0.447675  1
  Sm  Sm283  1  0.530333  0.828184  0.464545  1
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