# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.69843048
_cell_length_b   18.71629407
_cell_length_c   49.72273564
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.32838261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm216
_cell_volume   17351.6026686
_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  0.267503  0.889112  0.324028  1
  Sm  Sm2  1  0.239823  0.642279  0.269690  1
  Sm  Sm3  1  0.414065  0.586547  0.296191  1
  Sm  Sm4  1  0.600837  0.555779  0.324028  1
  Sm  Sm5  1  0.247398  0.253214  0.296191  1
  Sm  Sm6  1  0.434170  0.222446  0.324028  1
  Sm  Sm7  1  0.406490  0.975612  0.269690  1
  Sm  Sm8  1  0.580732  0.919881  0.296191  1
  Sm  Sm9  1  0.767503  0.889112  0.324028  1
  Sm  Sm10  1  0.739823  0.642279  0.269690  1
  Sm  Sm11  1  0.914065  0.586547  0.296191  1
  Sm  Sm12  1  0.100837  0.555779  0.324028  1
  Sm  Sm13  1  0.573156  0.308945  0.269690  1
  Sm  Sm14  1  0.747398  0.253214  0.296191  1
  Sm  Sm15  1  0.934170  0.222446  0.324028  1
  Sm  Sm16  1  0.906490  0.975612  0.269690  1
  Sm  Sm17  1  0.080732  0.919881  0.296191  1
  Sm  Sm18  1  0.073156  0.308945  0.269690  1
  Sm  Sm19  1  0.235143  0.846844  0.259006  1
  Sm  Sm20  1  0.243860  0.445136  0.280846  1
  Sm  Sm21  1  0.426403  0.394652  0.302014  1
  Sm  Sm22  1  0.568477  0.513511  0.259006  1
  Sm  Sm23  1  0.259736  0.061319  0.302014  1
  Sm  Sm24  1  0.401810  0.180177  0.259006  1
  Sm  Sm25  1  0.410527  0.778469  0.280846  1
  Sm  Sm26  1  0.593070  0.727986  0.302014  1
  Sm  Sm27  1  0.735143  0.846844  0.259006  1
  Sm  Sm28  1  0.743860  0.445136  0.280846  1
  Sm  Sm29  1  0.926403  0.394652  0.302014  1
  Sm  Sm30  1  0.068477  0.513511  0.259006  1
  Sm  Sm31  1  0.577193  0.111802  0.280846  1
  Sm  Sm32  1  0.759736  0.061319  0.302014  1
  Sm  Sm33  1  0.901810  0.180177  0.259006  1
  Sm  Sm34  1  0.910527  0.778469  0.280846  1
  Sm  Sm35  1  0.093070  0.727986  0.302014  1
  Sm  Sm36  1  0.077193  0.111802  0.280846  1
  Sm  Sm37  1  0.286184  0.796401  0.393457  1
  Sm  Sm38  1  0.278289  0.521476  0.344958  1
  Sm  Sm39  1  0.449059  0.484345  0.367433  1
  Sm  Sm40  1  0.619518  0.463068  0.393457  1
  Sm  Sm41  1  0.282392  0.151012  0.367433  1
  Sm  Sm42  1  0.452851  0.129734  0.393457  1
  Sm  Sm43  1  0.444955  0.854810  0.344958  1
  Sm  Sm44  1  0.615726  0.817679  0.367433  1
  Sm  Sm45  1  0.786184  0.796401  0.393457  1
  Sm  Sm46  1  0.778289  0.521476  0.344958  1
  Sm  Sm47  1  0.949059  0.484345  0.367433  1
  Sm  Sm48  1  0.119518  0.463068  0.393457  1
  Sm  Sm49  1  0.611622  0.188143  0.344958  1
  Sm  Sm50  1  0.782392  0.151012  0.367433  1
  Sm  Sm51  1  0.952851  0.129734  0.393457  1
  Sm  Sm52  1  0.944955  0.854810  0.344958  1
  Sm  Sm53  1  0.115726  0.817679  0.367433  1
  Sm  Sm54  1  0.111622  0.188143  0.344958  1
  Sm  Sm55  1  0.284887  0.708543  0.333478  1
  Sm  Sm56  1  0.302997  0.336646  0.358925  1
  Sm  Sm57  1  0.485440  0.306577  0.384404  1
  Sm  Sm58  1  0.618220  0.375210  0.333478  1
  Sm  Sm59  1  0.318774  0.973243  0.384404  1
  Sm  Sm60  1  0.451554  0.041877  0.333478  1
  Sm  Sm61  1  0.469663  0.669980  0.358925  1
  Sm  Sm62  1  0.652107  0.639910  0.384404  1
  Sm  Sm63  1  0.784887  0.708543  0.333478  1
  Sm  Sm64  1  0.802997  0.336646  0.358925  1
  Sm  Sm65  1  0.985440  0.306577  0.384404  1
  Sm  Sm66  1  0.118220  0.375210  0.333478  1
  Sm  Sm67  1  0.636330  0.003313  0.358925  1
  Sm  Sm68  1  0.818774  0.973243  0.384404  1
  Sm  Sm69  1  0.951554  0.041877  0.333478  1
  Sm  Sm70  1  0.969663  0.669980  0.358925  1
  Sm  Sm71  1  0.152107  0.639910  0.384404  1
  Sm  Sm72  1  0.136330  0.003313  0.358925  1
  Sm  Sm73  1  0.295575  0.712656  0.462348  1
  Sm  Sm74  1  0.288839  0.436696  0.415555  1
  Sm  Sm75  1  0.457770  0.408666  0.439051  1
  Sm  Sm76  1  0.628908  0.379323  0.462348  1
  Sm  Sm77  1  0.291104  0.075333  0.439051  1
  Sm  Sm78  1  0.462241  0.045989  0.462348  1
  Sm  Sm79  1  0.455506  0.770030  0.415555  1
  Sm  Sm80  1  0.624437  0.742000  0.439051  1
  Sm  Sm81  1  0.795575  0.712656  0.462348  1
  Sm  Sm82  1  0.788839  0.436696  0.415555  1
  Sm  Sm83  1  0.957770  0.408666  0.439051  1
  Sm  Sm84  1  0.128908  0.379323  0.462348  1
  Sm  Sm85  1  0.622172  0.103363  0.415555  1
  Sm  Sm86  1  0.791104  0.075333  0.439051  1
  Sm  Sm87  1  0.962241  0.045989  0.462348  1
  Sm  Sm88  1  0.955506  0.770030  0.415555  1
  Sm  Sm89  1  0.124437  0.742000  0.439051  1
  Sm  Sm90  1  0.122172  0.103363  0.415555  1
  Sm  Sm91  1  0.326577  0.611843  0.407503  1
  Sm  Sm92  1  0.330249  0.250698  0.430514  1
  Sm  Sm93  1  0.501449  0.223652  0.455043  1
  Sm  Sm94  1  0.659911  0.278510  0.407503  1
  Sm  Sm95  1  0.334783  0.890319  0.455043  1
  Sm  Sm96  1  0.493244  0.945176  0.407503  1
  Sm  Sm97  1  0.496916  0.584031  0.430514  1
  Sm  Sm98  1  0.668116  0.556985  0.455043  1
  Sm  Sm99  1  0.826577  0.611843  0.407503  1
  Sm  Sm100  1  0.830249  0.250698  0.430514  1
  Sm  Sm101  1  1.001449  0.223652  0.455043  1
  Sm  Sm102  1  0.159911  0.278510  0.407503  1
  Sm  Sm103  1  0.663583  0.917365  0.430514  1
  Sm  Sm104  1  0.834783  0.890319  0.455043  1
  Sm  Sm105  1  0.993244  0.945176  0.407503  1
  Sm  Sm106  1  0.996916  0.584031  0.430514  1
  Sm  Sm107  1  0.168116  0.556985  0.455043  1
  Sm  Sm108  1  0.163583  0.917365  0.430514  1
  Sm  Sm109  1  0.309022  0.628733  0.533025  1
  Sm  Sm110  1  0.300817  0.350257  0.485485  1
  Sm  Sm111  1  0.472016  0.323211  0.510014  1
  Sm  Sm112  1  0.642355  0.295400  0.533025  1
  Sm  Sm113  1  0.305350  0.989878  0.510014  1
  Sm  Sm114  1  0.475688  0.962066  0.533025  1
  Sm  Sm115  1  0.467483  0.683591  0.485485  1
  Sm  Sm116  1  0.638683  0.656545  0.510014  1
  Sm  Sm117  1  0.809022  0.628733  0.533025  1
  Sm  Sm118  1  0.800817  0.350257  0.485485  1
  Sm  Sm119  1  0.972016  0.323211  0.510014  1
  Sm  Sm120  1  0.142355  0.295400  0.533025  1
  Sm  Sm121  1  0.634150  0.016924  0.485485  1
  Sm  Sm122  1  0.805350  0.989878  0.510014  1
  Sm  Sm123  1  0.975688  0.962066  0.533025  1
  Sm  Sm124  1  0.967483  0.683591  0.485485  1
  Sm  Sm125  1  0.138683  0.656545  0.510014  1
  Sm  Sm126  1  0.134150  0.016924  0.485485  1
  Sm  Sm127  1  0.340024  0.527920  0.478180  1
  Sm  Sm128  1  0.344496  0.165243  0.501477  1
  Sm  Sm129  1  0.513427  0.137213  0.524973  1
  Sm  Sm130  1  0.673358  0.194587  0.478180  1
  Sm  Sm131  1  0.346760  0.803880  0.524973  1
  Sm  Sm132  1  0.506691  0.861254  0.478180  1
  Sm  Sm133  1  0.511162  0.498577  0.501477  1
  Sm  Sm134  1  0.680094  0.470546  0.524973  1
  Sm  Sm135  1  0.840024  0.527920  0.478180  1
  Sm  Sm136  1  0.844496  0.165243  0.501477  1
  Sm  Sm137  1  1.013427  0.137213  0.524973  1
  Sm  Sm138  1  0.173358  0.194587  0.478180  1
  Sm  Sm139  1  0.677829  0.831910  0.501477  1
  Sm  Sm140  1  0.846760  0.803880  0.524973  1
  Sm  Sm141  1  1.006691  0.861254  0.478180  1
  Sm  Sm142  1  1.011162  0.498577  0.501477  1
  Sm  Sm143  1  0.180094  0.470546  0.524973  1
  Sm  Sm144  1  0.177829  0.831910  0.501477  1
  Sm  Sm145  1  0.350712  0.532033  0.607050  1
  Sm  Sm146  1  0.316825  0.267333  0.556124  1
  Sm  Sm147  1  0.499269  0.237263  0.581603  1
  Sm  Sm148  1  0.684046  0.198699  0.607050  1
  Sm  Sm149  1  0.332603  0.903930  0.581603  1
  Sm  Sm150  1  0.517379  0.865366  0.607050  1
  Sm  Sm151  1  0.483492  0.600666  0.556124  1
  Sm  Sm152  1  0.665936  0.570596  0.581603  1
  Sm  Sm153  1  0.850712  0.532033  0.607050  1
  Sm  Sm154  1  0.816825  0.267333  0.556124  1
  Sm  Sm155  1  0.999269  0.237263  0.581603  1
  Sm  Sm156  1  0.184046  0.198699  0.607050  1
  Sm  Sm157  1  0.650159  0.933999  0.556124  1
  Sm  Sm158  1  0.832603  0.903930  0.581603  1
  Sm  Sm159  1  1.017379  0.865366  0.607050  1
  Sm  Sm160  1  0.983492  0.600666  0.556124  1
  Sm  Sm161  1  0.165936  0.570596  0.581603  1
  Sm  Sm162  1  0.150159  0.933999  0.556124  1
  Sm  Sm163  1  0.349415  0.444175  0.547071  1
  Sm  Sm164  1  0.353207  0.089564  0.573095  1
  Sm  Sm165  1  0.523977  0.052433  0.595570  1
  Sm  Sm166  1  0.682748  0.110842  0.547071  1
  Sm  Sm167  1  0.357311  0.719100  0.595570  1
  Sm  Sm168  1  0.516082  0.777509  0.547071  1
  Sm  Sm169  1  0.519874  0.422897  0.573095  1
  Sm  Sm170  1  0.690644  0.385767  0.595570  1
  Sm  Sm171  1  0.849415  0.444175  0.547071  1
  Sm  Sm172  1  0.853207  0.089564  0.573095  1
  Sm  Sm173  1  0.023977  0.052433  0.595570  1
  Sm  Sm174  1  0.182748  0.110842  0.547071  1
  Sm  Sm175  1  0.686540  0.756231  0.573095  1
  Sm  Sm176  1  0.857311  0.719100  0.595570  1
  Sm  Sm177  1  1.016082  0.777509  0.547071  1
  Sm  Sm178  1  1.019874  0.422897  0.573095  1
  Sm  Sm179  1  0.190644  0.385767  0.595570  1
  Sm  Sm180  1  0.186540  0.756231  0.573095  1
  Sm  Sm181  1  0.400456  0.393732  0.681522  1
  Sm  Sm182  1  0.375863  0.179257  0.638514  1
  Sm  Sm183  1  0.558406  0.128774  0.659682  1
  Sm  Sm184  1  0.733789  0.060399  0.681522  1
  Sm  Sm185  1  0.391739  0.795440  0.659682  1
  Sm  Sm186  1  0.567123  0.727065  0.681522  1
  Sm  Sm187  1  0.542530  0.512591  0.638514  1
  Sm  Sm188  1  0.725073  0.462107  0.659682  1
  Sm  Sm189  1  0.900456  0.393732  0.681522  1
  Sm  Sm190  1  0.875863  0.179257  0.638514  1
  Sm  Sm191  1  0.058406  0.128774  0.659682  1
  Sm  Sm192  1  0.233789  0.060399  0.681522  1
  Sm  Sm193  1  0.709196  0.845924  0.638514  1
  Sm  Sm194  1  0.891739  0.795440  0.659682  1
  Sm  Sm195  1  0.067123  0.727065  0.681522  1
  Sm  Sm196  1  0.042530  0.512591  0.638514  1
  Sm  Sm197  1  0.225073  0.462107  0.659682  1
  Sm  Sm198  1  0.209196  0.845924  0.638514  1
  Sm  Sm199  1  0.368096  0.351464  0.616500  1
  Sm  Sm200  1  0.388201  0.987362  0.644337  1
  Sm  Sm201  1  0.562443  0.931631  0.670838  1
  Sm  Sm202  1  0.701429  0.018130  0.616500  1
  Sm  Sm203  1  0.395776  0.598297  0.670838  1
  Sm  Sm204  1  0.534763  0.684797  0.616500  1
  Sm  Sm205  1  0.554868  0.320695  0.644337  1
  Sm  Sm206  1  0.729110  0.264964  0.670838  1
  Sm  Sm207  1  0.868096  0.351464  0.616500  1
  Sm  Sm208  1  0.888201  0.987362  0.644337  1
  Sm  Sm209  1  0.062443  0.931631  0.670838  1
  Sm  Sm210  1  0.201429  0.018130  0.616500  1
  Sm  Sm211  1  0.721534  0.654029  0.644337  1
  Sm  Sm212  1  0.895776  0.598297  0.670838  1
  Sm  Sm213  1  0.034763  0.684797  0.616500  1
  Sm  Sm214  1  0.054868  0.320695  0.644337  1
  Sm  Sm215  1  0.229110  0.264964  0.670838  1
  Sm  Sm216  1  0.221534  0.654029  0.644337  1
