# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.42969402
_cell_length_b   53.87249215
_cell_length_c   49.59747220
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm648
_cell_volume   49243.0261589
_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  0.048738  0.616565  0.253175  1
  Sm  Sm2  1  0.223633  0.604629  0.291353  1
  Sm  Sm3  1  0.084077  0.097696  0.283366  1
  Sm  Sm4  1  0.383036  0.623559  0.253197  1
  Sm  Sm5  1  0.557056  0.605031  0.291182  1
  Sm  Sm6  1  0.240595  0.104863  0.246041  1
  Sm  Sm7  1  0.418973  0.096038  0.283133  1
  Sm  Sm8  1  0.719119  0.623626  0.252776  1
  Sm  Sm9  1  0.887988  0.606296  0.292136  1
  Sm  Sm10  1  0.574709  0.105969  0.245668  1
  Sm  Sm11  1  0.753117  0.095854  0.282819  1
  Sm  Sm12  1  0.907182  0.108252  0.244871  1
  Sm  Sm13  1  0.933590  0.544880  0.311454  1
  Sm  Sm14  1  0.097265  0.551423  0.271935  1
  Sm  Sm15  1  0.957752  0.044208  0.263865  1
  Sm  Sm16  1  0.267306  0.543501  0.312544  1
  Sm  Sm17  1  0.428378  0.553503  0.271278  1
  Sm  Sm18  1  0.136094  0.040463  0.304556  1
  Sm  Sm19  1  0.292227  0.039915  0.263226  1
  Sm  Sm20  1  0.599770  0.543848  0.312376  1
  Sm  Sm21  1  0.761688  0.554179  0.271117  1
  Sm  Sm22  1  0.468970  0.039738  0.305811  1
  Sm  Sm23  1  0.623439  0.041468  0.263651  1
  Sm  Sm24  1  0.804979  0.039781  0.306945  1
  Sm  Sm25  1  0.135590  0.489501  0.293872  1
  Sm  Sm26  1  0.292201  0.501040  0.255852  1
  Sm  Sm27  1  0.109573  0.993616  0.258159  1
  Sm  Sm28  1  0.469621  0.489448  0.293633  1
  Sm  Sm29  1  0.624783  0.503132  0.254900  1
  Sm  Sm30  1  0.268984  0.987244  0.305222  1
  Sm  Sm31  1  0.445116  0.994769  0.257935  1
  Sm  Sm32  1  0.800745  0.490700  0.293772  1
  Sm  Sm33  1  0.956838  0.501164  0.255715  1
  Sm  Sm34  1  0.602331  0.987026  0.305255  1
  Sm  Sm35  1  0.771396  0.997602  0.259979  1
  Sm  Sm36  1  0.941903  0.984817  0.298473  1
  Sm  Sm37  1  0.131300  0.931762  0.285461  1
  Sm  Sm38  1  0.290722  0.952966  0.247728  1
  Sm  Sm39  1  0.185131  0.430090  0.313435  1
  Sm  Sm40  1  0.465969  0.933679  0.285782  1
  Sm  Sm41  1  0.626656  0.953182  0.247228  1
  Sm  Sm42  1  0.344033  0.436214  0.274045  1
  Sm  Sm43  1  0.518444  0.428918  0.314240  1
  Sm  Sm44  1  0.801892  0.934118  0.283999  1
  Sm  Sm45  1  0.974140  0.926080  0.324623  1
  Sm  Sm46  1  0.675883  0.437959  0.273183  1
  Sm  Sm47  1  0.851779  0.431029  0.312995  1
  Sm  Sm48  1  1.010650  0.436601  0.273574  1
  Sm  Sm49  1  0.997916  0.875913  0.267265  1
  Sm  Sm50  1  0.175295  0.873450  0.309550  1
  Sm  Sm51  1  0.048923  0.377236  0.298328  1
  Sm  Sm52  1  0.330201  0.882535  0.266590  1
  Sm  Sm53  1  0.506446  0.873914  0.307833  1
  Sm  Sm54  1  0.203300  0.383432  0.257615  1
  Sm  Sm55  1  0.383042  0.376302  0.298432  1
  Sm  Sm56  1  0.661431  0.882140  0.266555  1
  Sm  Sm57  1  0.840124  0.874646  0.308343  1
  Sm  Sm58  1  0.536318  0.383094  0.258027  1
  Sm  Sm59  1  0.716845  0.378502  0.299140  1
  Sm  Sm60  1  0.869292  0.384000  0.257637  1
  Sm  Sm61  1  0.976642  0.822345  0.308465  1
  Sm  Sm62  1  0.155189  0.830574  0.258999  1
  Sm  Sm63  1  1.002957  0.327158  0.256734  1
  Sm  Sm64  1  0.312332  0.822292  0.305202  1
  Sm  Sm65  1  0.476413  0.826442  0.260772  1
  Sm  Sm66  1  0.179034  0.323487  0.298198  1
  Sm  Sm67  1  0.334468  0.327044  0.256687  1
  Sm  Sm68  1  0.641387  0.821445  0.305253  1
  Sm  Sm69  1  0.805046  0.826272  0.265073  1
  Sm  Sm70  1  0.508891  0.318261  0.293685  1
  Sm  Sm71  1  0.676208  0.330404  0.257380  1
  Sm  Sm72  1  0.846415  0.324074  0.298272  1
  Sm  Sm73  1  0.995218  0.789359  0.250258  1
  Sm  Sm74  1  0.164607  0.772596  0.291221  1
  Sm  Sm75  1  0.978929  0.265754  0.292923  1
  Sm  Sm76  1  0.324917  0.774371  0.253049  1
  Sm  Sm77  1  0.500201  0.768415  0.291056  1
  Sm  Sm78  1  0.142300  0.275830  0.254163  1
  Sm  Sm79  1  0.318799  0.265659  0.290216  1
  Sm  Sm80  1  0.659240  0.774152  0.253051  1
  Sm  Sm81  1  0.842665  0.765923  0.289158  1
  Sm  Sm82  1  0.484791  0.259387  0.332909  1
  Sm  Sm83  1  0.645551  0.265360  0.290889  1
  Sm  Sm84  1  0.809699  0.276798  0.253527  1
  Sm  Sm85  1  0.042586  0.718678  0.269348  1
  Sm  Sm86  1  0.221031  0.712715  0.308828  1
  Sm  Sm87  1  1.016234  0.205450  0.317214  1
  Sm  Sm88  1  0.384693  0.709606  0.268882  1
  Sm  Sm89  1  0.557912  0.711089  0.310281  1
  Sm  Sm90  1  0.179008  0.212752  0.277525  1
  Sm  Sm91  1  0.349306  0.205264  0.317324  1
  Sm  Sm92  1  0.720012  0.710003  0.269165  1
  Sm  Sm93  1  0.888564  0.708336  0.312828  1
  Sm  Sm94  1  0.511088  0.213381  0.277235  1
  Sm  Sm95  1  0.681956  0.205049  0.317393  1
  Sm  Sm96  1  0.844517  0.213178  0.277084  1
  Sm  Sm97  1  0.027923  0.658652  0.307547  1
  Sm  Sm98  1  0.196359  0.665544  0.263178  1
  Sm  Sm99  1  0.046954  0.159357  0.260831  1
  Sm  Sm100  1  0.356695  0.658172  0.310274  1
  Sm  Sm101  1  0.539517  0.665102  0.262053  1
  Sm  Sm102  1  0.218778  0.151251  0.300895  1
  Sm  Sm103  1  0.379247  0.157833  0.261201  1
  Sm  Sm104  1  0.692492  0.657962  0.310519  1
  Sm  Sm105  1  0.875472  0.666064  0.260484  1
  Sm  Sm106  1  0.551386  0.151248  0.300772  1
  Sm  Sm107  1  0.712383  0.158773  0.261071  1
  Sm  Sm108  1  0.885218  0.151523  0.301010  1
  Sm  Sm109  1  0.062584  0.597611  0.329929  1
  Sm  Sm110  1  0.241311  0.593302  0.367745  1
  Sm  Sm111  1  0.113379  0.087826  0.359677  1
  Sm  Sm112  1  0.396444  0.597500  0.329717  1
  Sm  Sm113  1  0.574430  0.593313  0.367824  1
  Sm  Sm114  1  0.266622  0.091743  0.320812  1
  Sm  Sm115  1  0.446699  0.087903  0.359724  1
  Sm  Sm116  1  0.729302  0.597500  0.330028  1
  Sm  Sm117  1  0.907446  0.592740  0.368297  1
  Sm  Sm118  1  0.600392  0.091694  0.321013  1
  Sm  Sm119  1  0.779870  0.088231  0.359723  1
  Sm  Sm120  1  0.933387  0.092033  0.321404  1
  Sm  Sm121  1  0.957265  0.533515  0.387429  1
  Sm  Sm122  1  0.111636  0.538670  0.349617  1
  Sm  Sm123  1  0.982174  0.034561  0.342678  1
  Sm  Sm124  1  0.290537  0.533504  0.387619  1
  Sm  Sm125  1  0.444842  0.538501  0.349472  1
  Sm  Sm126  1  0.161431  0.029344  0.380181  1
  Sm  Sm127  1  0.316340  0.035830  0.343687  1
  Sm  Sm128  1  0.623735  0.533589  0.387584  1
  Sm  Sm129  1  0.778295  0.538590  0.349394  1
  Sm  Sm130  1  0.496149  0.029401  0.380677  1
  Sm  Sm131  1  0.651395  0.035314  0.343060  1
  Sm  Sm132  1  0.827797  0.029921  0.381775  1
  Sm  Sm133  1  0.159790  0.479762  0.369916  1
  Sm  Sm134  1  0.313799  0.483825  0.331850  1
  Sm  Sm135  1  0.106846  0.980560  0.340693  1
  Sm  Sm136  1  0.493125  0.479652  0.369879  1
  Sm  Sm137  1  0.646293  0.483868  0.331704  1
  Sm  Sm138  1  0.286105  0.976220  0.380244  1
  Sm  Sm139  1  0.440813  0.980956  0.341425  1
  Sm  Sm140  1  0.826186  0.479657  0.369866  1
  Sm  Sm141  1  0.980082  0.484710  0.331396  1
  Sm  Sm142  1  0.620954  0.976069  0.379946  1
  Sm  Sm143  1  0.778718  0.980607  0.340189  1
  Sm  Sm144  1  0.952740  0.976112  0.378933  1
  Sm  Sm145  1  0.155316  0.923422  0.363177  1
  Sm  Sm146  1  0.307245  0.927234  0.324352  1
  Sm  Sm147  1  0.208577  0.420100  0.390068  1
  Sm  Sm148  1  0.488955  0.923621  0.362613  1
  Sm  Sm149  1  0.642872  0.926949  0.323997  1
  Sm  Sm150  1  0.363590  0.425632  0.352120  1
  Sm  Sm151  1  0.542237  0.420023  0.390068  1
  Sm  Sm152  1  0.820587  0.922694  0.363048  1
  Sm  Sm153  1  1.000295  0.918329  0.401466  1
  Sm  Sm154  1  0.697561  0.425574  0.352140  1
  Sm  Sm155  1  0.875447  0.420209  0.390015  1
  Sm  Sm156  1  0.030611  0.425990  0.351816  1
  Sm  Sm157  1  0.023348  0.870637  0.347424  1
  Sm  Sm158  1  0.203908  0.865043  0.384406  1
  Sm  Sm159  1  0.077778  0.366688  0.372935  1
  Sm  Sm160  1  0.356431  0.870637  0.346480  1
  Sm  Sm161  1  0.536736  0.864981  0.383587  1
  Sm  Sm162  1  0.232187  0.372217  0.335486  1
  Sm  Sm163  1  0.411398  0.366963  0.373348  1
  Sm  Sm164  1  0.688849  0.869585  0.345431  1
  Sm  Sm165  1  0.869727  0.864624  0.383662  1
  Sm  Sm166  1  0.564157  0.370054  0.334479  1
  Sm  Sm167  1  0.743741  0.366112  0.372713  1
  Sm  Sm168  1  0.899059  0.372735  0.335770  1
  Sm  Sm169  1  0.994400  0.811215  0.383983  1
  Sm  Sm170  1  0.151128  0.816596  0.345448  1
  Sm  Sm171  1  0.023791  0.315496  0.334768  1
  Sm  Sm172  1  0.328620  0.811160  0.382925  1
  Sm  Sm173  1  0.483917  0.816410  0.344610  1
  Sm  Sm174  1  0.199686  0.310749  0.373401  1
  Sm  Sm175  1  0.355918  0.315914  0.335663  1
  Sm  Sm176  1  0.661570  0.810897  0.382838  1
  Sm  Sm177  1  0.815939  0.815673  0.344947  1
  Sm  Sm178  1  0.534338  0.310657  0.372199  1
  Sm  Sm179  1  0.688698  0.314601  0.333665  1
  Sm  Sm180  1  0.867390  0.310404  0.372386  1
  Sm  Sm181  1  1.015669  0.762304  0.328630  1
  Sm  Sm182  1  0.197227  0.758310  0.366815  1
  Sm  Sm183  1  0.993811  0.254977  0.370918  1
  Sm  Sm184  1  0.348605  0.762333  0.328184  1
  Sm  Sm185  1  0.531228  0.758292  0.366286  1
  Sm  Sm186  1  0.153307  0.259991  0.331615  1
  Sm  Sm187  1  0.325907  0.254863  0.370868  1
  Sm  Sm188  1  0.685841  0.762391  0.327280  1
  Sm  Sm189  1  0.863990  0.758354  0.366593  1
  Sm  Sm190  1  0.503933  0.249653  0.409559  1
  Sm  Sm191  1  0.660548  0.254777  0.370961  1
  Sm  Sm192  1  0.816961  0.259968  0.331610  1
  Sm  Sm193  1  0.069622  0.705903  0.349239  1
  Sm  Sm194  1  0.248235  0.699733  0.385745  1
  Sm  Sm195  1  0.038263  0.196371  0.393671  1
  Sm  Sm196  1  0.402442  0.706368  0.349211  1
  Sm  Sm197  1  0.580863  0.699419  0.386261  1
  Sm  Sm198  1  0.192777  0.200877  0.355916  1
  Sm  Sm199  1  0.372022  0.196428  0.393410  1
  Sm  Sm200  1  0.735295  0.706104  0.350299  1
  Sm  Sm201  1  0.914911  0.699645  0.386979  1
  Sm  Sm202  1  0.526713  0.200764  0.355870  1
  Sm  Sm203  1  0.705537  0.196251  0.393483  1
  Sm  Sm204  1  0.860205  0.201539  0.355454  1
  Sm  Sm205  1  0.039627  0.645978  0.384604  1
  Sm  Sm206  1  0.194880  0.651641  0.346129  1
  Sm  Sm207  1  0.064030  0.146524  0.338790  1
  Sm  Sm208  1  0.372973  0.646047  0.385189  1
  Sm  Sm209  1  0.528438  0.651462  0.346021  1
  Sm  Sm210  1  0.243345  0.141887  0.376264  1
  Sm  Sm211  1  0.397391  0.146262  0.338797  1
  Sm  Sm212  1  0.705805  0.645840  0.385705  1
  Sm  Sm213  1  0.863171  0.650987  0.346616  1
  Sm  Sm214  1  0.576826  0.141907  0.376227  1
  Sm  Sm215  1  0.730724  0.146347  0.338610  1
  Sm  Sm216  1  0.909695  0.142232  0.376371  1
  Sm  Sm217  1  0.086310  0.587535  0.406056  1
  Sm  Sm218  1  0.264434  0.582009  0.444145  1
  Sm  Sm219  1  0.136522  0.077308  0.436079  1
  Sm  Sm220  1  0.419568  0.587448  0.405965  1
  Sm  Sm221  1  0.597753  0.582010  0.444180  1
  Sm  Sm222  1  0.291509  0.082842  0.398208  1
  Sm  Sm223  1  0.470152  0.077310  0.436135  1
  Sm  Sm224  1  0.752834  0.587496  0.406174  1
  Sm  Sm225  1  0.931096  0.581914  0.444388  1
  Sm  Sm226  1  0.625084  0.082708  0.398080  1
  Sm  Sm227  1  0.803432  0.077548  0.436278  1
  Sm  Sm228  1  0.958468  0.082907  0.398021  1
  Sm  Sm229  1  0.979865  0.522443  0.464279  1
  Sm  Sm230  1  0.135021  0.527892  0.426081  1
  Sm  Sm231  1  1.006433  0.024458  0.418881  1
  Sm  Sm232  1  0.313195  0.522463  0.464321  1
  Sm  Sm233  1  0.468317  0.527852  0.426006  1
  Sm  Sm234  1  0.184924  0.019339  0.457373  1
  Sm  Sm235  1  0.340075  0.024549  0.419322  1
  Sm  Sm236  1  0.646523  0.522446  0.464311  1
  Sm  Sm237  1  0.801792  0.527959  0.425883  1
  Sm  Sm238  1  0.518344  0.019273  0.457590  1
  Sm  Sm239  1  0.672990  0.024512  0.419609  1
  Sm  Sm240  1  0.851639  0.019339  0.457683  1
  Sm  Sm241  1  0.182765  0.468538  0.446542  1
  Sm  Sm242  1  0.338022  0.473975  0.408375  1
  Sm  Sm243  1  0.130565  0.971103  0.418439  1
  Sm  Sm244  1  0.516192  0.468442  0.446455  1
  Sm  Sm245  1  0.671360  0.474119  0.408319  1
  Sm  Sm246  1  0.309218  0.965815  0.457212  1
  Sm  Sm247  1  0.464331  0.970999  0.418419  1
  Sm  Sm248  1  0.849389  0.468551  0.446505  1
  Sm  Sm249  1  1.004478  0.474092  0.408219  1
  Sm  Sm250  1  0.642780  0.965631  0.456961  1
  Sm  Sm251  1  0.797991  0.970919  0.418078  1
  Sm  Sm252  1  0.975726  0.965834  0.456722  1
  Sm  Sm253  1  0.179235  0.912859  0.439657  1
  Sm  Sm254  1  0.334261  0.918195  0.401346  1
  Sm  Sm255  1  0.231547  0.409086  0.466565  1
  Sm  Sm256  1  0.512722  0.912702  0.439363  1
  Sm  Sm257  1  0.666911  0.917730  0.401081  1
  Sm  Sm258  1  0.386844  0.414371  0.428507  1
  Sm  Sm259  1  0.565040  0.409028  0.466644  1
  Sm  Sm260  1  0.845555  0.912476  0.439523  1
  Sm  Sm261  1  0.024412  0.907464  0.477850  1
  Sm  Sm262  1  0.720068  0.414340  0.428247  1
  Sm  Sm263  1  0.898225  0.409089  0.466445  1
  Sm  Sm264  1  0.053419  0.414454  0.428318  1
  Sm  Sm265  1  0.049131  0.859644  0.422667  1
  Sm  Sm266  1  0.227882  0.854310  0.460740  1
  Sm  Sm267  1  0.100655  0.355779  0.449313  1
  Sm  Sm268  1  0.382450  0.859485  0.422257  1
  Sm  Sm269  1  0.560901  0.854253  0.460407  1
  Sm  Sm270  1  0.256173  0.361119  0.411248  1
  Sm  Sm271  1  0.434090  0.355709  0.449456  1
  Sm  Sm272  1  0.715322  0.859407  0.421981  1
  Sm  Sm273  1  0.894340  0.854167  0.460554  1
  Sm  Sm274  1  0.588947  0.361048  0.411106  1
  Sm  Sm275  1  0.767061  0.355684  0.449372  1
  Sm  Sm276  1  0.921971  0.361142  0.411199  1
  Sm  Sm277  1  1.018362  0.800393  0.460443  1
  Sm  Sm278  1  0.173439  0.805927  0.421884  1
  Sm  Sm279  1  0.044922  0.305436  0.410857  1
  Sm  Sm280  1  0.351775  0.800494  0.460060  1
  Sm  Sm281  1  0.506770  0.805879  0.421473  1
  Sm  Sm282  1  0.223902  0.299991  0.448783  1
  Sm  Sm283  1  0.379361  0.305226  0.410538  1
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