# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.80255630
_cell_length_b   26.61198119
_cell_length_c   49.67666498
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.47265042
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm216
_cell_volume   16846.2135189
_cell_formula_units_Z   216
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  0.267836  0.642317  0.270037  1
  Sm  Sm2  1  0.550438  0.638564  0.288695  1
  Sm  Sm3  1  0.829292  0.627118  0.304687  1
  Sm  Sm4  1  0.978415  0.741949  0.293177  1
  Sm  Sm5  1  0.411622  0.758272  0.258379  1
  Sm  Sm6  1  0.693030  0.764714  0.276353  1
  Sm  Sm7  1  0.202801  0.856762  0.284025  1
  Sm  Sm8  1  0.485229  0.851880  0.306799  1
  Sm  Sm9  1  0.920984  0.864981  0.265216  1
  Sm  Sm10  1  0.368572  0.972392  0.277891  1
  Sm  Sm11  1  0.657320  0.948517  0.288888  1
  Sm  Sm12  1  0.084246  0.978371  0.258167  1
  Sm  Sm13  1  0.062061  0.081170  0.301305  1
  Sm  Sm14  1  0.505698  0.084941  0.264440  1
  Sm  Sm15  1  0.791547  0.080840  0.280873  1
  Sm  Sm16  1  0.963012  0.203811  0.271127  1
  Sm  Sm17  1  0.270945  0.188390  0.286992  1
  Sm  Sm18  1  0.568667  0.180320  0.310787  1
  Sm  Sm19  1  0.157518  0.310019  0.262714  1
  Sm  Sm20  1  0.446394  0.300836  0.281436  1
  Sm  Sm21  1  0.727752  0.294626  0.299969  1
  Sm  Sm22  1  0.316309  0.423377  0.252533  1
  Sm  Sm23  1  0.595373  0.417777  0.270364  1
  Sm  Sm24  1  0.880891  0.413980  0.287076  1
  Sm  Sm25  1  0.106096  0.527187  0.277012  1
  Sm  Sm26  1  0.394569  0.521687  0.298439  1
  Sm  Sm27  1  0.675225  0.513006  0.318385  1
  Sm  Sm28  1  0.097958  0.623669  0.327776  1
  Sm  Sm29  1  0.367160  0.617635  0.345963  1
  Sm  Sm30  1  0.629398  0.611336  0.363110  1
  Sm  Sm31  1  0.764856  0.725735  0.349743  1
  Sm  Sm32  1  0.243742  0.739600  0.316625  1
  Sm  Sm33  1  0.505288  0.734582  0.333689  1
  Sm  Sm34  1  0.039655  0.838933  0.343510  1
  Sm  Sm35  1  0.302342  0.834961  0.363211  1
  Sm  Sm36  1  0.772109  0.843583  0.328151  1
  Sm  Sm37  1  0.187877  0.955977  0.333182  1
  Sm  Sm38  1  0.454494  0.949725  0.351573  1
  Sm  Sm39  1  0.914637  0.962954  0.315791  1
  Sm  Sm40  1  0.853738  0.061067  0.358566  1
  Sm  Sm41  1  0.323860  0.074842  0.322296  1
  Sm  Sm42  1  0.597906  0.058807  0.335952  1
  Sm  Sm43  1  0.847573  0.176909  0.333256  1
  Sm  Sm44  1  0.120583  0.172129  0.350198  1
  Sm  Sm45  1  0.391294  0.165407  0.369381  1
  Sm  Sm46  1  1.000578  0.294412  0.322361  1
  Sm  Sm47  1  0.276123  0.283963  0.338873  1
  Sm  Sm48  1  0.542045  0.279817  0.357584  1
  Sm  Sm49  1  0.150333  0.408466  0.310104  1
  Sm  Sm50  1  0.417956  0.401263  0.327307  1
  Sm  Sm51  1  0.680859  0.395200  0.344444  1
  Sm  Sm52  1  0.947107  0.508380  0.337981  1
  Sm  Sm53  1  0.216435  0.502539  0.356801  1
  Sm  Sm54  1  0.482314  0.495725  0.375122  1
  Sm  Sm55  1  0.889285  0.606466  0.382001  1
  Sm  Sm56  1  0.153609  0.601116  0.400509  1
  Sm  Sm57  1  0.420906  0.594277  0.419118  1
  Sm  Sm58  1  0.560124  0.710225  0.406849  1
  Sm  Sm59  1  0.023347  0.724255  0.369485  1
  Sm  Sm60  1  0.291507  0.717189  0.388429  1
  Sm  Sm61  1  0.835165  0.821353  0.400706  1
  Sm  Sm62  1  0.101069  0.816223  0.419086  1
  Sm  Sm63  1  0.568529  0.827852  0.382365  1
  Sm  Sm64  1  0.977836  0.936617  0.388030  1
  Sm  Sm65  1  0.243258  0.932618  0.406957  1
  Sm  Sm66  1  0.712292  0.943845  0.370060  1
  Sm  Sm67  1  0.646333  0.042608  0.412790  1
  Sm  Sm68  1  0.112725  0.055011  0.376058  1
  Sm  Sm69  1  0.381831  0.048332  0.393888  1
  Sm  Sm70  1  0.654828  0.158765  0.387549  1
  Sm  Sm71  1  0.921234  0.154106  0.407164  1
  Sm  Sm72  1  0.187962  0.147674  0.425446  1
  Sm  Sm73  1  0.800885  0.277144  0.377526  1
  Sm  Sm74  1  0.065213  0.269173  0.394570  1
  Sm  Sm75  1  0.329203  0.263910  0.413013  1
  Sm  Sm76  1  0.935847  0.393754  0.364217  1
  Sm  Sm77  1  0.201618  0.385454  0.381763  1
  Sm  Sm78  1  0.469697  0.379304  0.400465  1
  Sm  Sm79  1  0.745509  0.490662  0.394359  1
  Sm  Sm80  1  1.012310  0.485069  0.412998  1
  Sm  Sm81  1  0.278030  0.478762  0.431314  1
  Sm  Sm82  1  0.685588  0.588829  0.438122  1
  Sm  Sm83  1  0.950805  0.583339  0.456402  1
  Sm  Sm84  1  0.216659  0.577243  0.474876  1
  Sm  Sm85  1  0.356162  0.693528  0.462724  1
  Sm  Sm86  1  0.824492  0.704846  0.425452  1
  Sm  Sm87  1  0.089866  0.699653  0.444096  1
  Sm  Sm88  1  0.632908  0.804625  0.456503  1
  Sm  Sm89  1  0.898810  0.798619  0.475027  1
  Sm  Sm90  1  0.366838  0.810287  0.437792  1
  Sm  Sm91  1  0.773482  0.920630  0.444032  1
  Sm  Sm92  1  0.039063  0.914780  0.462716  1
  Sm  Sm93  1  0.507033  0.926939  0.426184  1
  Sm  Sm94  1  0.443584  0.025407  0.469378  1
  Sm  Sm95  1  0.913009  0.036506  0.432163  1
  Sm  Sm96  1  0.179438  0.031059  0.450500  1
  Sm  Sm97  1  0.453959  0.141440  0.443921  1
  Sm  Sm98  1  0.719900  0.136080  0.462537  1
  Sm  Sm99  1  0.985722  0.130429  0.481541  1
  Sm  Sm100  1  0.594756  0.257549  0.431981  1
  Sm  Sm101  1  0.861136  0.252630  0.450893  1
  Sm  Sm102  1  0.126577  0.246335  0.469208  1
  Sm  Sm103  1  0.733316  0.374696  0.419917  1
  Sm  Sm104  1  1.000812  0.368142  0.438050  1
  Sm  Sm105  1  0.267020  0.362310  0.456591  1
  Sm  Sm106  1  0.543091  0.472999  0.450274  1
  Sm  Sm107  1  0.810141  0.467328  0.469083  1
  Sm  Sm108  1  0.075960  0.461065  0.487419  1
  Sm  Sm109  1  0.480834  0.571716  0.493955  1
  Sm  Sm110  1  0.746120  0.565998  0.512646  1
  Sm  Sm111  1  1.012810  0.559809  0.530417  1
  Sm  Sm112  1  0.153783  0.675994  0.518680  1
  Sm  Sm113  1  0.621134  0.687981  0.481439  1
  Sm  Sm114  1  0.886579  0.682043  0.500042  1
  Sm  Sm115  1  0.429828  0.786833  0.512560  1
  Sm  Sm116  1  0.695135  0.782108  0.531154  1
  Sm  Sm117  1  0.164726  0.792530  0.493610  1
  Sm  Sm118  1  0.568588  0.903662  0.500356  1
  Sm  Sm119  1  0.834032  0.897725  0.518372  1
  Sm  Sm120  1  0.303860  0.908912  0.481584  1
  Sm  Sm121  1  0.242255  0.007374  0.525437  1
  Sm  Sm122  1  0.709219  0.019609  0.487558  1
  Sm  Sm123  1  0.976021  0.013646  0.506618  1
  Sm  Sm124  1  0.251503  0.124045  0.500206  1
  Sm  Sm125  1  0.517873  0.117737  0.518932  1
  Sm  Sm126  1  0.782739  0.113354  0.537361  1
  Sm  Sm127  1  0.391612  0.239982  0.487760  1
  Sm  Sm128  1  0.656745  0.234334  0.506346  1
  Sm  Sm129  1  0.921697  0.229556  0.525122  1
  Sm  Sm130  1  0.531394  0.356494  0.475523  1
  Sm  Sm131  1  0.797244  0.351134  0.494264  1
  Sm  Sm132  1  0.063437  0.345121  0.512984  1
  Sm  Sm133  1  0.339835  0.455383  0.506387  1
  Sm  Sm134  1  0.606283  0.450027  0.524858  1
  Sm  Sm135  1  0.872863  0.444317  0.543845  1
  Sm  Sm136  1  0.276756  0.554079  0.549764  1
  Sm  Sm137  1  0.542984  0.549581  0.568796  1
  Sm  Sm138  1  0.808266  0.542374  0.586748  1
  Sm  Sm139  1  0.951400  0.658533  0.574203  1
  Sm  Sm140  1  0.419108  0.670360  0.537535  1
  Sm  Sm141  1  0.684308  0.665107  0.555765  1
  Sm  Sm142  1  0.228148  0.769476  0.568368  1
  Sm  Sm143  1  0.497175  0.763001  0.587530  1
  Sm  Sm144  1  0.961477  0.775242  0.549202  1
  Sm  Sm145  1  0.365877  0.884945  0.556186  1
  Sm  Sm146  1  0.629671  0.881630  0.575016  1
  Sm  Sm147  1  0.100576  0.891155  0.536962  1
  Sm  Sm148  1  0.039530  0.990471  0.580720  1
  Sm  Sm149  1  0.507266  0.001524  0.544267  1
  Sm  Sm150  1  0.773227  0.996840  0.562097  1
  Sm  Sm151  1  0.047594  0.108042  0.556360  1
  Sm  Sm152  1  0.316665  0.099848  0.574863  1
  Sm  Sm153  1  0.583235  0.092188  0.593725  1
  Sm  Sm154  1  0.187820  0.222867  0.543747  1
  Sm  Sm155  1  0.454539  0.216168  0.562212  1
  Sm  Sm156  1  0.717767  0.211930  0.580885  1
  Sm  Sm157  1  0.329056  0.338668  0.531447  1
  Sm  Sm158  1  0.595418  0.332674  0.549822  1
  Sm  Sm159  1  0.862412  0.328366  0.569080  1
  Sm  Sm160  1  0.136452  0.438451  0.562763  1
  Sm  Sm161  1  0.405952  0.432169  0.580731  1
  Sm  Sm162  1  0.670451  0.423813  0.598292  1
  Sm  Sm163  1  0.065999  0.537135  0.605309  1
  Sm  Sm164  1  0.330428  0.532635  0.623400  1
  Sm  Sm165  1  0.605060  0.523914  0.640863  1
  Sm  Sm166  1  0.746791  0.642559  0.628450  1
  Sm  Sm167  1  0.216388  0.652462  0.593292  1
  Sm  Sm168  1  0.479501  0.648052  0.613065  1
  Sm  Sm169  1  1.012602  0.752935  0.623309  1
  Sm  Sm170  1  0.275491  0.747225  0.640195  1
  Sm  Sm171  1  0.756767  0.758668  0.606060  1
  Sm  Sm172  1  0.150682  0.869395  0.610676  1
  Sm  Sm173  1  0.419547  0.863954  0.629560  1
  Sm  Sm174  1  0.891923  0.872928  0.592172  1
  Sm  Sm175  1  0.849044  0.974708  0.633607  1
  Sm  Sm176  1  0.306533  0.982593  0.600518  1
  Sm  Sm177  1  0.578014  0.976723  0.620941  1
  Sm  Sm178  1  0.840211  0.095262  0.612863  1
  Sm  Sm179  1  0.103457  0.082238  0.629638  1
  Sm  Sm180  1  0.368835  0.073765  0.647392  1
  Sm  Sm181  1  0.978999  0.207798  0.600100  1
  Sm  Sm182  1  0.243076  0.198512  0.616818  1
  Sm  Sm183  1  0.510671  0.192688  0.635150  1
  Sm  Sm184  1  0.124944  0.321615  0.587759  1
  Sm  Sm185  1  0.392029  0.314384  0.605736  1
  Sm  Sm186  1  0.658413  0.309908  0.624895  1
  Sm  Sm187  1  0.925128  0.429291  0.621298  1
  Sm  Sm188  1  0.195801  0.412744  0.635062  1
  Sm  Sm189  1  0.457086  0.409280  0.652796  1
  Sm  Sm190  1  0.862795  0.539444  0.668627  1
  Sm  Sm191  1  0.150496  0.514202  0.679149  1
  Sm  Sm192  1  0.434628  0.508531  0.699009  1
  Sm  Sm193  1  0.598495  0.622290  0.691561  1
  Sm  Sm194  1  0.033571  0.635802  0.649523  1
  Sm  Sm195  1  0.316164  0.629937  0.672965  1
  Sm  Sm196  1  0.826354  0.719435  0.680690  1
  Sm  Sm197  1  0.106246  0.729531  0.698379  1
  Sm  Sm198  1  0.540347  0.744944  0.663734  1
  Sm  Sm199  1  0.966715  0.848369  0.668152  1
  Sm  Sm200  1  0.250063  0.845091  0.686840  1
  Sm  Sm201  1  0.693088  0.853727  0.649870  1
  Sm  Sm202  1  0.766021  0.948619  0.695766  1
  Sm  Sm203  1  0.122244  0.962667  0.659375  1
  Sm  Sm204  1  0.434490  0.956125  0.682879  1
  Sm  Sm205  1  0.635434  0.073579  0.670412  1
  Sm  Sm206  1  0.917191  0.064885  0.686348  1
  Sm  Sm207  1  0.195795  0.058934  0.704050  1
  Sm  Sm208  1  0.775780  0.194441  0.658779  1
  Sm  Sm209  1  0.057030  0.183235  0.673789  1
  Sm  Sm210  1  0.338853  0.174656  0.692351  1
  Sm  Sm211  1  0.930436  0.307897  0.644141  1
  Sm  Sm212  1  0.213834  0.294834  0.664332  1
  Sm  Sm213  1  0.497414  0.291241  0.685374  1
  Sm  Sm214  1  0.723770  0.406433  0.676060  1
  Sm  Sm215  1  1.008445  0.401305  0.692435  1
  Sm  Sm216  1  0.286229  0.393691  0.710423  1
