# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.86334560
_cell_length_b   15.13734765
_cell_length_c   49.58313936
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.91632578
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm216
_cell_volume   18231.5232802
_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  0.690649  0.661117  0.358127  1
  Sm  Sm2  1  0.367521  0.717313  0.344339  1
  Sm  Sm3  1  0.557603  0.348952  0.303566  1
  Sm  Sm4  1  0.706028  0.249300  0.332863  1
  Sm  Sm5  1  0.035512  0.709945  0.340841  1
  Sm  Sm6  1  0.242360  0.401499  0.289672  1
  Sm  Sm7  1  0.395291  0.297935  0.315525  1
  Sm  Sm8  1  0.528202  0.185361  0.353132  1
  Sm  Sm9  1  0.719033  0.831256  0.310706  1
  Sm  Sm10  1  0.896583  0.353712  0.303361  1
  Sm  Sm11  1  0.051761  0.297363  0.317788  1
  Sm  Sm12  1  0.204906  0.235707  0.336547  1
  Sm  Sm13  1  0.397924  0.878573  0.295366  1
  Sm  Sm14  1  0.551922  0.768555  0.324014  1
  Sm  Sm15  1  0.863063  0.180400  0.349354  1
  Sm  Sm16  1  0.072321  0.880316  0.294980  1
  Sm  Sm17  1  0.229066  0.820122  0.311080  1
  Sm  Sm18  1  0.878294  0.769503  0.325759  1
  Sm  Sm19  1  0.607009  0.919998  0.357440  1
  Sm  Sm20  1  0.288208  0.982517  0.339610  1
  Sm  Sm21  1  0.477813  0.615116  0.299738  1
  Sm  Sm22  1  0.625765  0.504690  0.329998  1
  Sm  Sm23  1  0.949589  0.944287  0.345332  1
  Sm  Sm24  1  0.158295  0.645420  0.290985  1
  Sm  Sm25  1  0.314560  0.561665  0.311901  1
  Sm  Sm26  1  0.448701  0.451919  0.348719  1
  Sm  Sm27  1  0.637419  0.085521  0.308085  1
  Sm  Sm28  1  0.808800  0.591038  0.307856  1
  Sm  Sm29  1  0.965442  0.532798  0.322157  1
  Sm  Sm30  1  0.120282  0.476173  0.337074  1
  Sm  Sm31  1  0.323134  0.144320  0.291465  1
  Sm  Sm32  1  0.472659  0.032239  0.320112  1
  Sm  Sm33  1  0.777237  0.417678  0.354002  1
  Sm  Sm34  1  0.984143  0.116091  0.299285  1
  Sm  Sm35  1  0.138714  0.062752  0.313341  1
  Sm  Sm36  1  0.791846  0.006260  0.329758  1
  Sm  Sm37  1  0.644064  0.893368  0.428231  1
  Sm  Sm38  1  0.322989  0.950449  0.412169  1
  Sm  Sm39  1  0.515569  0.593955  0.374037  1
  Sm  Sm40  1  0.660302  0.480660  0.404194  1
  Sm  Sm41  1  0.986647  0.947392  0.412590  1
  Sm  Sm42  1  0.192391  0.646655  0.358371  1
  Sm  Sm43  1  0.335549  0.539099  0.389715  1
  Sm  Sm44  1  0.480845  0.417233  0.421778  1
  Sm  Sm45  1  0.678046  0.068470  0.380747  1
  Sm  Sm46  1  0.848423  0.591331  0.374016  1
  Sm  Sm47  1  0.003044  0.535093  0.389168  1
  Sm  Sm48  1  0.158398  0.472434  0.405958  1
  Sm  Sm49  1  0.357456  0.124845  0.364200  1
  Sm  Sm50  1  0.494609  0.006072  0.398677  1
  Sm  Sm51  1  0.815175  0.416840  0.421244  1
  Sm  Sm52  1  0.019322  0.122443  0.365411  1
  Sm  Sm53  1  0.172044  0.060972  0.383537  1
  Sm  Sm54  1  0.832369  0.003242  0.397116  1
  Sm  Sm55  1  0.560369  0.150900  0.426347  1
  Sm  Sm56  1  0.242572  0.215445  0.407889  1
  Sm  Sm57  1  0.437163  0.858168  0.368658  1
  Sm  Sm58  1  0.575483  0.739476  0.402657  1
  Sm  Sm59  1  0.900999  0.181774  0.416939  1
  Sm  Sm60  1  0.105276  0.888389  0.360833  1
  Sm  Sm61  1  0.255469  0.805065  0.385946  1
  Sm  Sm62  1  0.402062  0.683702  0.416936  1
  Sm  Sm63  1  0.594222  0.327293  0.379095  1
  Sm  Sm64  1  0.763805  0.825868  0.378163  1
  Sm  Sm65  1  0.917883  0.768555  0.393089  1
  Sm  Sm66  1  0.071841  0.713845  0.408065  1
  Sm  Sm67  1  0.276764  0.389237  0.359979  1
  Sm  Sm68  1  0.415396  0.272901  0.394050  1
  Sm  Sm69  1  0.730123  0.651237  0.425840  1
  Sm  Sm70  1  0.933582  0.356691  0.369777  1
  Sm  Sm71  1  0.087105  0.302335  0.385125  1
  Sm  Sm72  1  0.747193  0.237820  0.401630  1
  Sm  Sm73  1  0.594751  0.132223  0.499231  1
  Sm  Sm74  1  0.271993  0.188573  0.483660  1
  Sm  Sm75  1  0.463571  0.830023  0.445715  1
  Sm  Sm76  1  0.611045  0.719594  0.475649  1
  Sm  Sm77  1  0.936612  0.187288  0.484175  1
  Sm  Sm78  1  0.139848  0.886035  0.430299  1
  Sm  Sm79  1  0.288920  0.776070  0.459953  1
  Sm  Sm80  1  0.430685  0.655042  0.493182  1
  Sm  Sm81  1  0.627832  0.306878  0.451950  1
  Sm  Sm82  1  0.798593  0.831131  0.444920  1
  Sm  Sm83  1  0.953462  0.774061  0.460114  1
  Sm  Sm84  1  0.107609  0.711378  0.477351  1
  Sm  Sm85  1  0.304390  0.363856  0.436469  1
  Sm  Sm86  1  0.447130  0.242946  0.469329  1
  Sm  Sm87  1  0.765519  0.656851  0.492540  1
  Sm  Sm88  1  0.969433  0.361573  0.436764  1
  Sm  Sm89  1  0.124618  0.298693  0.453658  1
  Sm  Sm90  1  0.782348  0.243566  0.468725  1
  Sm  Sm91  1  0.510710  0.389428  0.497494  1
  Sm  Sm92  1  0.191858  0.454313  0.479345  1
  Sm  Sm93  1  0.383935  0.097310  0.441227  1
  Sm  Sm94  1  0.526890  0.977103  0.473803  1
  Sm  Sm95  1  0.851070  0.422039  0.488429  1
  Sm  Sm96  1  0.054391  0.127697  0.432456  1
  Sm  Sm97  1  0.208830  0.041347  0.455606  1
  Sm  Sm98  1  0.351460  0.921806  0.488459  1
  Sm  Sm99  1  0.543724  0.564065  0.450152  1
  Sm  Sm100  1  0.713873  0.065225  0.449433  1
  Sm  Sm101  1  0.867945  0.008759  0.464431  1
  Sm  Sm102  1  0.021643  0.953275  0.479711  1
  Sm  Sm103  1  0.224045  0.629436  0.432170  1
  Sm  Sm104  1  0.368071  0.509549  0.464557  1
  Sm  Sm105  1  0.680608  0.890672  0.496794  1
  Sm  Sm106  1  0.884019  0.596198  0.440884  1
  Sm  Sm107  1  0.038536  0.540260  0.455856  1
  Sm  Sm108  1  0.697305  0.477574  0.473337  1
  Sm  Sm109  1  0.546397  0.370119  0.570065  1
  Sm  Sm110  1  0.222674  0.426132  0.554649  1
  Sm  Sm111  1  0.414253  0.067582  0.516704  1
  Sm  Sm112  1  0.561627  0.957461  0.546706  1
  Sm  Sm113  1  0.887652  0.425023  0.555444  1
  Sm  Sm114  1  0.091495  0.123932  0.501133  1
  Sm  Sm115  1  0.239116  0.013209  0.531035  1
  Sm  Sm116  1  0.381855  0.892299  0.563895  1
  Sm  Sm117  1  0.578636  0.544776  0.523013  1
  Sm  Sm118  1  0.749634  0.068867  0.516189  1
  Sm  Sm119  1  0.903897  0.012589  0.531639  1
  Sm  Sm120  1  0.058414  0.949277  0.548414  1
  Sm  Sm121  1  0.255560  0.601113  0.507182  1
  Sm  Sm122  1  0.397325  0.480084  0.540411  1
  Sm  Sm123  1  0.716813  0.894582  0.563600  1
  Sm  Sm124  1  0.920726  0.599304  0.507824  1
  Sm  Sm125  1  0.075200  0.536561  0.524715  1
  Sm  Sm126  1  0.732783  0.482094  0.540250  1
  Sm  Sm127  1  0.462201  0.626719  0.568194  1
  Sm  Sm128  1  0.142522  0.692090  0.550212  1
  Sm  Sm129  1  0.334786  0.334349  0.511905  1
  Sm  Sm130  1  0.477415  0.214808  0.544758  1
  Sm  Sm131  1  0.802226  0.659957  0.559480  1
  Sm  Sm132  1  0.005637  0.365483  0.503570  1
  Sm  Sm133  1  0.159355  0.279051  0.526561  1
  Sm  Sm134  1  0.302310  0.158845  0.559137  1
  Sm  Sm135  1  0.494387  0.801842  0.521019  1
  Sm  Sm136  1  0.664602  0.302880  0.520653  1
  Sm  Sm137  1  0.818300  0.247396  0.535933  1
  Sm  Sm138  1  0.972372  0.190929  0.550931  1
  Sm  Sm139  1  0.175535  0.866726  0.502870  1
  Sm  Sm140  1  0.318174  0.746605  0.535807  1
  Sm  Sm141  1  0.631854  0.128458  0.567908  1
  Sm  Sm142  1  0.835175  0.834116  0.511935  1
  Sm  Sm143  1  0.988940  0.778581  0.527027  1
  Sm  Sm144  1  0.647709  0.715894  0.544508  1
  Sm  Sm145  1  0.493854  0.609499  0.641993  1
  Sm  Sm146  1  0.170677  0.662200  0.626327  1
  Sm  Sm147  1  0.363256  0.305706  0.588195  1
  Sm  Sm148  1  0.514201  0.195182  0.616827  1
  Sm  Sm149  1  0.837822  0.664824  0.626348  1
  Sm  Sm150  1  0.042181  0.362787  0.572133  1
  Sm  Sm151  1  0.191636  0.250083  0.601687  1
  Sm  Sm152  1  0.328789  0.131310  0.636164  1
  Sm  Sm153  1  0.527847  0.783721  0.594406  1
  Sm  Sm154  1  0.699598  0.308763  0.587774  1
  Sm  Sm155  1  0.853876  0.252913  0.603248  1
  Sm  Sm156  1  0.008199  0.187685  0.619617  1
  Sm  Sm157  1  0.205400  0.838922  0.578586  1
  Sm  Sm158  1  0.350696  0.717056  0.610649  1
  Sm  Sm159  1  0.666923  0.133712  0.634953  1
  Sm  Sm160  1  0.871070  0.839315  0.579120  1
  Sm  Sm161  1  0.025943  0.775494  0.596170  1
  Sm  Sm162  1  0.683201  0.721061  0.611196  1
  Sm  Sm163  1  0.409481  0.866918  0.640385  1
  Sm  Sm164  1  0.092023  0.928862  0.621269  1
  Sm  Sm165  1  0.284183  0.572452  0.583428  1
  Sm  Sm166  1  0.430776  0.451090  0.614418  1
  Sm  Sm167  1  0.752663  0.899463  0.630587  1
  Sm  Sm168  1  0.956122  0.604918  0.574524  1
  Sm  Sm169  1  0.110762  0.516679  0.597707  1
  Sm  Sm170  1  0.249082  0.397986  0.631706  1
  Sm  Sm171  1  0.443673  0.040710  0.592475  1
  Sm  Sm172  1  0.614404  0.542310  0.592299  1
  Sm  Sm173  1  0.768362  0.487599  0.607275  1
  Sm  Sm174  1  0.922440  0.430287  0.622201  1
  Sm  Sm175  1  0.125876  0.105255  0.574017  1
  Sm  Sm176  1  0.270849  0.983253  0.606314  1
  Sm  Sm177  1  0.580969  0.367766  0.639531  1
  Sm  Sm178  1  0.785246  0.074380  0.583425  1
  Sm  Sm179  1  0.939052  0.018334  0.598734  1
  Sm  Sm180  1  0.599140  0.953820  0.615239  1
  Sm  Sm181  1  0.443886  0.854655  0.710692  1
  Sm  Sm182  1  0.128642  0.907202  0.696798  1
  Sm  Sm183  1  0.318724  0.538842  0.656025  1
  Sm  Sm184  1  0.457179  0.436033  0.689284  1
  Sm  Sm185  1  0.789662  0.902442  0.697003  1
  Sm  Sm186  1  0.995596  0.595037  0.642237  1
  Sm  Sm187  1  0.134323  0.487600  0.676350  1
  Sm  Sm188  1  0.288321  0.377581  0.704998  1
  Sm  Sm189  1  0.481339  0.020448  0.663817  1
  Sm  Sm190  1  0.650733  0.546209  0.659523  1
  Sm  Sm191  1  0.807951  0.486652  0.674605  1
  Sm  Sm192  1  0.967212  0.424898  0.689658  1
  Sm  Sm193  1  0.158043  0.070793  0.647232  1
  Sm  Sm194  1  0.290955  0.958220  0.684839  1
  Sm  Sm195  1  0.613924  0.375839  0.705384  1
  Sm  Sm196  1  0.823182  0.075754  0.651010  1
  Sm  Sm197  1  0.980217  0.006854  0.667501  1
  Sm  Sm198  1  0.634484  0.958792  0.682576  1
  Sm  Sm199  1  0.363111  0.111835  0.708899  1
  Sm  Sm200  1  0.048827  0.170634  0.692279  1
  Sm  Sm201  1  0.237544  0.804236  0.651645  1
  Sm  Sm202  1  0.371685  0.694490  0.688463  1
  Sm  Sm203  1  0.702102  0.140063  0.701079  1
  Sm  Sm204  1  0.909008  0.838477  0.646362  1
  Sm  Sm205  1  0.060481  0.751465  0.670366  1
  Sm  Sm206  1  0.208432  0.641039  0.700626  1
  Sm  Sm207  1  0.398038  0.273637  0.660754  1
  Sm  Sm208  1  0.565964  0.779982  0.663290  1
  Sm  Sm209  1  0.720803  0.723357  0.678207  1
  Sm  Sm210  1  0.877446  0.665117  0.692508  1
  Sm  Sm211  1  0.079237  0.336157  0.642924  1
  Sm  Sm212  1  0.213587  0.223916  0.680252  1
  Sm  Sm213  1  0.527950  0.610735  0.709379  1
  Sm  Sm214  1  0.736656  0.311867  0.655032  1
  Sm  Sm215  1  0.894400  0.249895  0.670606  1
  Sm  Sm216  1  0.547531  0.193402  0.687023  1
