# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   71.86048117
_cell_length_b   9.79764101
_cell_length_c   50.55223306
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.67125720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm432
_cell_volume   35375.0616045
_cell_formula_units_Z   432
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  0.979609  0.540609  0.286994  1
  Sm  Sm2  1  0.312942  0.540609  0.286994  1
  Sm  Sm3  1  0.146718  0.798858  0.336985  1
  Sm  Sm4  1  0.983156  0.934287  0.308954  1
  Sm  Sm5  1  0.646275  0.540609  0.286994  1
  Sm  Sm6  1  0.480052  0.798858  0.336985  1
  Sm  Sm7  1  0.316489  0.934287  0.308954  1
  Sm  Sm8  1  0.146275  0.040609  0.286994  1
  Sm  Sm9  1  0.980052  0.298858  0.336985  1
  Sm  Sm10  1  0.813385  0.798858  0.336985  1
  Sm  Sm11  1  0.649822  0.934287  0.308954  1
  Sm  Sm12  1  0.479609  0.040609  0.286994  1
  Sm  Sm13  1  0.313385  0.298858  0.336985  1
  Sm  Sm14  1  0.149822  0.434287  0.308954  1
  Sm  Sm15  1  0.812942  0.040609  0.286994  1
  Sm  Sm16  1  0.646718  0.298858  0.336985  1
  Sm  Sm17  1  0.483156  0.434287  0.308954  1
  Sm  Sm18  1  0.816489  0.434287  0.308954  1
  Sm  Sm19  1  0.894835  0.742432  0.346102  1
  Sm  Sm20  1  0.228168  0.742432  0.346102  1
  Sm  Sm21  1  0.062099  0.874801  0.320145  1
  Sm  Sm22  1  0.898002  0.991764  0.299379  1
  Sm  Sm23  1  0.561501  0.742432  0.346102  1
  Sm  Sm24  1  0.395433  0.874801  0.320145  1
  Sm  Sm25  1  0.231335  0.991764  0.299379  1
  Sm  Sm26  1  0.061501  0.242432  0.346102  1
  Sm  Sm27  1  0.895433  0.374801  0.320145  1
  Sm  Sm28  1  0.728766  0.874801  0.320145  1
  Sm  Sm29  1  0.564669  0.991764  0.299379  1
  Sm  Sm30  1  0.394835  0.242432  0.346102  1
  Sm  Sm31  1  0.228766  0.374801  0.320145  1
  Sm  Sm32  1  0.064669  0.491764  0.299379  1
  Sm  Sm33  1  0.728168  0.242432  0.346102  1
  Sm  Sm34  1  0.562099  0.374801  0.320145  1
  Sm  Sm35  1  0.398002  0.491764  0.299379  1
  Sm  Sm36  1  0.731335  0.491764  0.299379  1
  Sm  Sm37  1  0.856844  0.764867  0.293514  1
  Sm  Sm38  1  0.190178  0.764867  0.293514  1
  Sm  Sm39  1  0.020191  0.023114  0.344429  1
  Sm  Sm40  1  0.854607  0.150737  0.316957  1
  Sm  Sm41  1  0.523511  0.764867  0.293514  1
  Sm  Sm42  1  0.353524  0.023114  0.344429  1
  Sm  Sm43  1  0.187940  0.150737  0.316957  1
  Sm  Sm44  1  0.023511  0.264867  0.293514  1
  Sm  Sm45  1  0.853524  0.523114  0.344429  1
  Sm  Sm46  1  0.686857  0.023114  0.344429  1
  Sm  Sm47  1  0.521274  0.150737  0.316957  1
  Sm  Sm48  1  0.356844  0.264867  0.293514  1
  Sm  Sm49  1  0.186857  0.523114  0.344429  1
  Sm  Sm50  1  0.021274  0.650737  0.316957  1
  Sm  Sm51  1  0.690178  0.264867  0.293514  1
  Sm  Sm52  1  0.520191  0.523114  0.344429  1
  Sm  Sm53  1  0.354607  0.650737  0.316957  1
  Sm  Sm54  1  0.687940  0.650737  0.316957  1
  Sm  Sm55  1  0.937053  0.575972  0.327974  1
  Sm  Sm56  1  0.270386  0.575972  0.327974  1
  Sm  Sm57  1  0.107618  0.707889  0.302000  1
  Sm  Sm58  1  0.941246  0.827104  0.280991  1
  Sm  Sm59  1  0.603719  0.575972  0.327974  1
  Sm  Sm60  1  0.440951  0.707889  0.302000  1
  Sm  Sm61  1  0.274579  0.827104  0.280991  1
  Sm  Sm62  1  0.103719  0.075972  0.327974  1
  Sm  Sm63  1  0.940951  0.207889  0.302000  1
  Sm  Sm64  1  0.774285  0.707889  0.302000  1
  Sm  Sm65  1  0.607913  0.827104  0.280991  1
  Sm  Sm66  1  0.437053  0.075972  0.327974  1
  Sm  Sm67  1  0.274285  0.207889  0.302000  1
  Sm  Sm68  1  0.107913  0.327104  0.280991  1
  Sm  Sm69  1  0.770386  0.075972  0.327974  1
  Sm  Sm70  1  0.607618  0.207889  0.302000  1
  Sm  Sm71  1  0.441246  0.327104  0.280991  1
  Sm  Sm72  1  0.774579  0.327104  0.280991  1
  Sm  Sm73  1  0.976664  0.681038  0.357785  1
  Sm  Sm74  1  0.309998  0.681038  0.357785  1
  Sm  Sm75  1  0.140276  0.928541  0.406547  1
  Sm  Sm76  1  0.974797  0.050015  0.382856  1
  Sm  Sm77  1  0.643331  0.681038  0.357785  1
  Sm  Sm78  1  0.473610  0.928541  0.406547  1
  Sm  Sm79  1  0.308131  0.050015  0.382856  1
  Sm  Sm80  1  0.143331  0.181038  0.357785  1
  Sm  Sm81  1  0.973610  0.428541  0.406547  1
  Sm  Sm82  1  0.806943  0.928541  0.406547  1
  Sm  Sm83  1  0.641464  0.050015  0.382856  1
  Sm  Sm84  1  0.476664  0.181038  0.357785  1
  Sm  Sm85  1  0.306943  0.428541  0.406547  1
  Sm  Sm86  1  0.141464  0.550015  0.382856  1
  Sm  Sm87  1  0.809998  0.181038  0.357785  1
  Sm  Sm88  1  0.640276  0.428541  0.406547  1
  Sm  Sm89  1  0.474797  0.550015  0.382856  1
  Sm  Sm90  1  0.808131  0.550015  0.382856  1
  Sm  Sm91  1  0.889590  0.867157  0.417821  1
  Sm  Sm92  1  0.222923  0.867157  0.417821  1
  Sm  Sm93  1  0.058349  0.991733  0.394139  1
  Sm  Sm94  1  0.892794  0.120750  0.370293  1
  Sm  Sm95  1  0.556256  0.867157  0.417821  1
  Sm  Sm96  1  0.391682  0.991733  0.394139  1
  Sm  Sm97  1  0.226127  0.120750  0.370293  1
  Sm  Sm98  1  0.056256  0.367157  0.417821  1
  Sm  Sm99  1  0.891682  0.491733  0.394139  1
  Sm  Sm100  1  0.725015  0.991733  0.394139  1
  Sm  Sm101  1  0.559461  0.120750  0.370293  1
  Sm  Sm102  1  0.389590  0.367157  0.417821  1
  Sm  Sm103  1  0.225015  0.491733  0.394139  1
  Sm  Sm104  1  0.059461  0.620750  0.370293  1
  Sm  Sm105  1  0.722923  0.367157  0.417821  1
  Sm  Sm106  1  0.558349  0.491733  0.394139  1
  Sm  Sm107  1  0.392794  0.620750  0.370293  1
  Sm  Sm108  1  0.726127  0.620750  0.370293  1
  Sm  Sm109  1  0.852061  0.904689  0.365024  1
  Sm  Sm110  1  0.185394  0.904689  0.365024  1
  Sm  Sm111  1  0.014669  0.152827  0.413060  1
  Sm  Sm112  1  0.849668  0.274538  0.389234  1
  Sm  Sm113  1  0.518728  0.904689  0.365024  1
  Sm  Sm114  1  0.348002  0.152827  0.413060  1
  Sm  Sm115  1  0.183002  0.274538  0.389234  1
  Sm  Sm116  1  0.018728  0.404689  0.365024  1
  Sm  Sm117  1  0.848002  0.652827  0.413060  1
  Sm  Sm118  1  0.681335  0.152827  0.413060  1
  Sm  Sm119  1  0.516335  0.274538  0.389234  1
  Sm  Sm120  1  0.352061  0.404689  0.365024  1
  Sm  Sm121  1  0.181335  0.652827  0.413060  1
  Sm  Sm122  1  0.016335  0.774538  0.389234  1
  Sm  Sm123  1  0.685394  0.404689  0.365024  1
  Sm  Sm124  1  0.514669  0.652827  0.413060  1
  Sm  Sm125  1  0.349668  0.774538  0.389234  1
  Sm  Sm126  1  0.683002  0.774538  0.389234  1
  Sm  Sm127  1  0.932601  0.706419  0.399501  1
  Sm  Sm128  1  0.265935  0.706419  0.399501  1
  Sm  Sm129  1  0.100768  0.829123  0.375265  1
  Sm  Sm130  1  0.936089  0.956643  0.351117  1
  Sm  Sm131  1  0.599268  0.706419  0.399501  1
  Sm  Sm132  1  0.434101  0.829123  0.375265  1
  Sm  Sm133  1  0.269422  0.956643  0.351117  1
  Sm  Sm134  1  0.099268  0.206419  0.399501  1
  Sm  Sm135  1  0.934101  0.329123  0.375265  1
  Sm  Sm136  1  0.767434  0.829123  0.375265  1
  Sm  Sm137  1  0.602756  0.956643  0.351117  1
  Sm  Sm138  1  0.432601  0.206419  0.399501  1
  Sm  Sm139  1  0.267434  0.329123  0.375265  1
  Sm  Sm140  1  0.102756  0.456643  0.351117  1
  Sm  Sm141  1  0.765935  0.206419  0.399501  1
  Sm  Sm142  1  0.600768  0.329123  0.375265  1
  Sm  Sm143  1  0.436089  0.456643  0.351117  1
  Sm  Sm144  1  0.769422  0.456643  0.351117  1
  Sm  Sm145  1  0.971772  0.802356  0.430467  1
  Sm  Sm146  1  0.305105  0.802356  0.430467  1
  Sm  Sm147  1  0.134921  0.054007  0.478328  1
  Sm  Sm148  1  0.969963  0.177852  0.454431  1
  Sm  Sm149  1  0.638439  0.802356  0.430467  1
  Sm  Sm150  1  0.468254  0.054007  0.478328  1
  Sm  Sm151  1  0.303297  0.177852  0.454431  1
  Sm  Sm152  1  0.138439  0.302356  0.430467  1
  Sm  Sm153  1  0.968254  0.554007  0.478328  1
  Sm  Sm154  1  0.801588  0.054007  0.478328  1
  Sm  Sm155  1  0.636630  0.177852  0.454431  1
  Sm  Sm156  1  0.471772  0.302356  0.430467  1
  Sm  Sm157  1  0.301588  0.554007  0.478328  1
  Sm  Sm158  1  0.136630  0.677852  0.454431  1
  Sm  Sm159  1  0.805105  0.302356  0.430467  1
  Sm  Sm160  1  0.634921  0.554007  0.478328  1
  Sm  Sm161  1  0.469963  0.677852  0.454431  1
  Sm  Sm162  1  0.803297  0.677852  0.454431  1
  Sm  Sm163  1  0.884139  0.993730  0.489618  1
  Sm  Sm164  1  0.217472  0.993730  0.489618  1
  Sm  Sm165  1  0.052570  0.118053  0.465717  1
  Sm  Sm166  1  0.887649  0.243120  0.442075  1
  Sm  Sm167  1  0.550805  0.993730  0.489618  1
  Sm  Sm168  1  0.385903  0.118053  0.465717  1
  Sm  Sm169  1  0.220983  0.243120  0.442075  1
  Sm  Sm170  1  0.050805  0.493730  0.489618  1
  Sm  Sm171  1  0.885903  0.618053  0.465717  1
  Sm  Sm172  1  0.719237  0.118053  0.465717  1
  Sm  Sm173  1  0.554316  0.243120  0.442075  1
  Sm  Sm174  1  0.384139  0.493730  0.489618  1
  Sm  Sm175  1  0.219237  0.618053  0.465717  1
  Sm  Sm176  1  0.054316  0.743120  0.442075  1
  Sm  Sm177  1  0.717472  0.493730  0.489618  1
  Sm  Sm178  1  0.552570  0.618053  0.465717  1
  Sm  Sm179  1  0.387649  0.743120  0.442075  1
  Sm  Sm180  1  0.720983  0.743120  0.442075  1
  Sm  Sm181  1  0.846477  0.026952  0.436913  1
  Sm  Sm182  1  0.179810  0.026952  0.436913  1
  Sm  Sm183  1  0.009438  0.277990  0.484764  1
  Sm  Sm184  1  0.844511  0.402327  0.460927  1
  Sm  Sm185  1  0.513143  0.026952  0.436913  1
  Sm  Sm186  1  0.342771  0.277990  0.484764  1
  Sm  Sm187  1  0.177845  0.402327  0.460927  1
  Sm  Sm188  1  0.013143  0.526952  0.436913  1
  Sm  Sm189  1  0.842771  0.777990  0.484764  1
  Sm  Sm190  1  0.676105  0.277990  0.484764  1
  Sm  Sm191  1  0.511178  0.402327  0.460927  1
  Sm  Sm192  1  0.346477  0.526952  0.436913  1
  Sm  Sm193  1  0.176105  0.777990  0.484764  1
  Sm  Sm194  1  0.011178  0.902327  0.460927  1
  Sm  Sm195  1  0.679810  0.526952  0.436913  1
  Sm  Sm196  1  0.509438  0.777990  0.484764  1
  Sm  Sm197  1  0.344511  0.902327  0.460927  1
  Sm  Sm198  1  0.677845  0.902327  0.460927  1
  Sm  Sm199  1  0.927125  0.832118  0.471425  1
  Sm  Sm200  1  0.260459  0.832118  0.471425  1
  Sm  Sm201  1  0.095668  0.956741  0.447497  1
  Sm  Sm202  1  0.930522  0.081929  0.423485  1
  Sm  Sm203  1  0.593792  0.832118  0.471425  1
  Sm  Sm204  1  0.429002  0.956741  0.447497  1
  Sm  Sm205  1  0.263855  0.081929  0.423485  1
  Sm  Sm206  1  0.093792  0.332118  0.471425  1
  Sm  Sm207  1  0.929002  0.456741  0.447497  1
  Sm  Sm208  1  0.762335  0.956741  0.447497  1
  Sm  Sm209  1  0.597188  0.081929  0.423485  1
  Sm  Sm210  1  0.427125  0.332118  0.471425  1
  Sm  Sm211  1  0.262335  0.456741  0.447497  1
  Sm  Sm212  1  0.097188  0.581929  0.423485  1
  Sm  Sm213  1  0.760459  0.332118  0.471425  1
  Sm  Sm214  1  0.595668  0.456741  0.447497  1
  Sm  Sm215  1  0.430522  0.581929  0.423485  1
  Sm  Sm216  1  0.763855  0.581929  0.423485  1
  Sm  Sm217  1  0.966444  0.928745  0.502348  1
  Sm  Sm218  1  0.299777  0.928745  0.502348  1
  Sm  Sm219  1  0.129564  0.180683  0.550242  1
  Sm  Sm220  1  0.964739  0.304059  0.526212  1
  Sm  Sm221  1  0.633111  0.928745  0.502348  1
  Sm  Sm222  1  0.462897  0.180683  0.550242  1
  Sm  Sm223  1  0.298073  0.304059  0.526212  1
  Sm  Sm224  1  0.133111  0.428745  0.502348  1
  Sm  Sm225  1  0.962897  0.680683  0.550242  1
  Sm  Sm226  1  0.796230  0.180683  0.550242  1
  Sm  Sm227  1  0.631406  0.304059  0.526212  1
  Sm  Sm228  1  0.466444  0.428745  0.502348  1
  Sm  Sm229  1  0.296230  0.680683  0.550242  1
  Sm  Sm230  1  0.131406  0.804059  0.526212  1
  Sm  Sm231  1  0.799777  0.428745  0.502348  1
  Sm  Sm232  1  0.629564  0.680683  0.550242  1
  Sm  Sm233  1  0.464739  0.804059  0.526212  1
  Sm  Sm234  1  0.798073  0.804059  0.526212  1
  Sm  Sm235  1  0.878952  0.122145  0.561012  1
  Sm  Sm236  1  0.212285  0.122145  0.561012  1
  Sm  Sm237  1  0.047295  0.244631  0.537244  1
  Sm  Sm238  1  0.882402  0.369770  0.513675  1
  Sm  Sm239  1  0.545619  0.122145  0.561012  1
  Sm  Sm240  1  0.380629  0.244631  0.537244  1
  Sm  Sm241  1  0.215736  0.369770  0.513675  1
  Sm  Sm242  1  0.045619  0.622145  0.561012  1
  Sm  Sm243  1  0.880629  0.744631  0.537244  1
  Sm  Sm244  1  0.713962  0.244631  0.537244  1
  Sm  Sm245  1  0.549069  0.369770  0.513675  1
  Sm  Sm246  1  0.378952  0.622145  0.561012  1
  Sm  Sm247  1  0.213962  0.744631  0.537244  1
  Sm  Sm248  1  0.049069  0.869770  0.513675  1
  Sm  Sm249  1  0.712285  0.622145  0.561012  1
  Sm  Sm250  1  0.547295  0.744631  0.537244  1
  Sm  Sm251  1  0.382402  0.869770  0.513675  1
  Sm  Sm252  1  0.715736  0.869770  0.513675  1
  Sm  Sm253  1  0.841024  0.153035  0.508611  1
  Sm  Sm254  1  0.174357  0.153035  0.508611  1
  Sm  Sm255  1  0.004203  0.404395  0.556509  1
  Sm  Sm256  1  0.839157  0.528407  0.532674  1
  Sm  Sm257  1  0.507690  0.153035  0.508611  1
  Sm  Sm258  1  0.337537  0.404395  0.556509  1
  Sm  Sm259  1  0.172490  0.528407  0.532674  1
  Sm  Sm260  1  0.007690  0.653035  0.508611  1
  Sm  Sm261  1  0.837537  0.904395  0.556509  1
  Sm  Sm262  1  0.670870  0.404395  0.556509  1
  Sm  Sm263  1  0.505823  0.528407  0.532674  1
  Sm  Sm264  1  0.341024  0.653035  0.508611  1
  Sm  Sm265  1  0.170870  0.904395  0.556509  1
  Sm  Sm266  1  0.005823  0.028407  0.532674  1
  Sm  Sm267  1  0.674357  0.653035  0.508611  1
  Sm  Sm268  1  0.504203  0.904395  0.556509  1
  Sm  Sm269  1  0.339157  0.028407  0.532674  1
  Sm  Sm270  1  0.672490  0.028407  0.532674  1
  Sm  Sm271  1  0.921721  0.957976  0.543238  1
  Sm  Sm272  1  0.255054  0.957976  0.543238  1
  Sm  Sm273  1  0.090353  0.082489  0.519393  1
  Sm  Sm274  1  0.925348  0.207273  0.495373  1
  Sm  Sm275  1  0.588388  0.957976  0.543238  1
  Sm  Sm276  1  0.423686  0.082489  0.519393  1
  Sm  Sm277  1  0.258681  0.207273  0.495373  1
  Sm  Sm278  1  0.088388  0.457976  0.543238  1
  Sm  Sm279  1  0.923686  0.582489  0.519393  1
  Sm  Sm280  1  0.757020  0.082489  0.519393  1
  Sm  Sm281  1  0.592015  0.207273  0.495373  1
  Sm  Sm282  1  0.421721  0.457976  0.543238  1
  Sm  Sm283  1  0.257020  0.582489  0.519393  1
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