# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   35.55427953
_cell_length_b   10.40548345
_cell_length_c   47.74118390
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.76274659
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm216
_cell_volume   17660.7379236
_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  0.717300  0.299958  0.330160  1
  Sm  Sm2  1  0.028626  0.304601  0.306839  1
  Sm  Sm3  1  0.050634  0.966624  0.330160  1
  Sm  Sm4  1  0.386489  0.279218  0.353293  1
  Sm  Sm5  1  0.361960  0.971268  0.306839  1
  Sm  Sm6  1  0.383967  0.633291  0.330160  1
  Sm  Sm7  1  0.719822  0.945885  0.353293  1
  Sm  Sm8  1  0.695293  0.637934  0.306839  1
  Sm  Sm9  1  0.053156  0.612551  0.353293  1
  Sm  Sm10  1  0.900300  0.301330  0.313917  1
  Sm  Sm11  1  0.216780  0.275367  0.360942  1
  Sm  Sm12  1  0.233633  0.967997  0.313917  1
  Sm  Sm13  1  0.551855  0.291816  0.339993  1
  Sm  Sm14  1  0.550113  0.942034  0.360942  1
  Sm  Sm15  1  0.566966  0.634663  0.313917  1
  Sm  Sm16  1  0.885188  0.958482  0.339993  1
  Sm  Sm17  1  0.883447  0.608701  0.360942  1
  Sm  Sm18  1  0.218521  0.625149  0.339993  1
  Sm  Sm19  1  0.968556  0.448434  0.356097  1
  Sm  Sm20  1  0.299716  0.447741  0.326594  1
  Sm  Sm21  1  0.301890  0.115101  0.356097  1
  Sm  Sm22  1  0.637977  0.427793  0.371726  1
  Sm  Sm23  1  0.633049  0.114408  0.326594  1
  Sm  Sm24  1  0.635223  0.781768  0.356097  1
  Sm  Sm25  1  0.971310  0.094460  0.371726  1
  Sm  Sm26  1  0.966383  0.781074  0.326594  1
  Sm  Sm27  1  0.304643  0.761127  0.371726  1
  Sm  Sm28  1  0.803855  0.129269  0.349974  1
  Sm  Sm29  1  0.135138  0.139616  0.326729  1
  Sm  Sm30  1  0.137188  0.795935  0.349974  1
  Sm  Sm31  1  0.461086  0.145232  0.306986  1
  Sm  Sm32  1  0.468471  0.806282  0.326729  1
  Sm  Sm33  1  0.470521  0.462602  0.349974  1
  Sm  Sm34  1  0.794420  0.811899  0.306986  1
  Sm  Sm35  1  0.801804  0.472949  0.326729  1
  Sm  Sm36  1  0.127753  0.478566  0.306986  1
  Sm  Sm37  1  0.722978  0.243701  0.401039  1
  Sm  Sm38  1  0.057074  0.266024  0.377400  1
  Sm  Sm39  1  0.056311  0.910367  0.401039  1
  Sm  Sm40  1  0.392799  0.227116  0.425004  1
  Sm  Sm41  1  0.390408  0.932691  0.377400  1
  Sm  Sm42  1  0.389645  0.577034  0.401039  1
  Sm  Sm43  1  0.726132  0.893782  0.425004  1
  Sm  Sm44  1  0.723741  0.599358  0.377400  1
  Sm  Sm45  1  0.059466  0.560449  0.425004  1
  Sm  Sm46  1  0.887289  0.258552  0.388162  1
  Sm  Sm47  1  0.228983  0.220330  0.433974  1
  Sm  Sm48  1  0.220622  0.925219  0.388162  1
  Sm  Sm49  1  0.559492  0.239498  0.411438  1
  Sm  Sm50  1  0.562316  0.886997  0.433974  1
  Sm  Sm51  1  0.553956  0.591886  0.388162  1
  Sm  Sm52  1  0.892825  0.906164  0.411438  1
  Sm  Sm53  1  0.895650  0.553663  0.433974  1
  Sm  Sm54  1  0.226158  0.572831  0.411438  1
  Sm  Sm55  1  0.977647  0.384882  0.424748  1
  Sm  Sm56  1  0.307074  0.409287  0.399013  1
  Sm  Sm57  1  0.310981  0.051549  0.424748  1
  Sm  Sm58  1  0.646844  0.372020  0.446599  1
  Sm  Sm59  1  0.640408  0.075954  0.399013  1
  Sm  Sm60  1  0.644314  0.718215  0.424748  1
  Sm  Sm61  1  0.980177  0.038686  0.446599  1
  Sm  Sm62  1  0.973741  0.742621  0.399013  1
  Sm  Sm63  1  0.313510  0.705353  0.446599  1
  Sm  Sm64  1  0.810325  0.068276  0.423122  1
  Sm  Sm65  1  0.139006  0.086384  0.400530  1
  Sm  Sm66  1  0.143659  0.734943  0.423122  1
  Sm  Sm67  1  0.472315  0.108225  0.378576  1
  Sm  Sm68  1  0.472339  0.753051  0.400530  1
  Sm  Sm69  1  0.476992  0.401609  0.423122  1
  Sm  Sm70  1  0.805648  0.774892  0.378576  1
  Sm  Sm71  1  0.805673  0.419717  0.400530  1
  Sm  Sm72  1  0.138982  0.441558  0.378576  1
  Sm  Sm73  1  0.733891  0.192632  0.471610  1
  Sm  Sm74  1  0.064286  0.209441  0.448830  1
  Sm  Sm75  1  0.067224  0.859299  0.471610  1
  Sm  Sm76  1  0.403118  0.174078  0.495880  1
  Sm  Sm77  1  0.397619  0.876108  0.448830  1
  Sm  Sm78  1  0.400557  0.525966  0.471610  1
  Sm  Sm79  1  0.736451  0.840745  0.495880  1
  Sm  Sm80  1  0.730953  0.542775  0.448830  1
  Sm  Sm81  1  0.069784  0.507412  0.495880  1
  Sm  Sm82  1  0.898054  0.201451  0.459300  1
  Sm  Sm83  1  0.237931  0.165767  0.506294  1
  Sm  Sm84  1  0.231388  0.868118  0.459300  1
  Sm  Sm85  1  0.568485  0.183594  0.482498  1
  Sm  Sm86  1  0.571265  0.832433  0.506294  1
  Sm  Sm87  1  0.564721  0.534785  0.459300  1
  Sm  Sm88  1  0.901818  0.850260  0.482498  1
  Sm  Sm89  1  0.904598  0.499100  0.506294  1
  Sm  Sm90  1  0.235152  0.516927  0.482498  1
  Sm  Sm91  1  0.986439  0.334993  0.495020  1
  Sm  Sm92  1  0.316622  0.354291  0.470779  1
  Sm  Sm93  1  0.319772  0.001659  0.495020  1
  Sm  Sm94  1  0.656185  0.317274  0.518411  1
  Sm  Sm95  1  0.649955  0.020958  0.470779  1
  Sm  Sm96  1  0.653106  0.668326  0.495020  1
  Sm  Sm97  1  0.989518  0.983941  0.518411  1
  Sm  Sm98  1  0.983288  0.687625  0.470779  1
  Sm  Sm99  1  0.322852  0.650607  0.518411  1
  Sm  Sm100  1  0.819919  0.013053  0.495330  1
  Sm  Sm101  1  0.150520  0.031075  0.471532  1
  Sm  Sm102  1  0.153252  0.679720  0.495330  1
  Sm  Sm103  1  0.480418  0.049931  0.448107  1
  Sm  Sm104  1  0.483853  0.697742  0.471532  1
  Sm  Sm105  1  0.486585  0.346386  0.495330  1
  Sm  Sm106  1  0.813751  0.716598  0.448107  1
  Sm  Sm107  1  0.817186  0.364409  0.471532  1
  Sm  Sm108  1  0.147085  0.383264  0.448107  1
  Sm  Sm109  1  0.742640  0.137407  0.542848  1
  Sm  Sm110  1  0.073025  0.155353  0.519706  1
  Sm  Sm111  1  0.075974  0.804074  0.542848  1
  Sm  Sm112  1  0.412211  0.118802  0.567004  1
  Sm  Sm113  1  0.406358  0.822019  0.519706  1
  Sm  Sm114  1  0.409307  0.470741  0.542848  1
  Sm  Sm115  1  0.745544  0.785469  0.567004  1
  Sm  Sm116  1  0.739692  0.488686  0.519706  1
  Sm  Sm117  1  0.078878  0.452135  0.567004  1
  Sm  Sm118  1  0.907563  0.147046  0.530312  1
  Sm  Sm119  1  0.247047  0.111408  0.577452  1
  Sm  Sm120  1  0.240897  0.813713  0.530312  1
  Sm  Sm121  1  0.577029  0.129684  0.553712  1
  Sm  Sm122  1  0.580380  0.778075  0.577452  1
  Sm  Sm123  1  0.574230  0.480379  0.530312  1
  Sm  Sm124  1  0.910362  0.796351  0.553712  1
  Sm  Sm125  1  0.913713  0.444741  0.577452  1
  Sm  Sm126  1  0.243695  0.463018  0.553712  1
  Sm  Sm127  1  0.995366  0.280933  0.566396  1
  Sm  Sm128  1  0.325725  0.299098  0.542327  1
  Sm  Sm129  1  0.328699  0.947600  0.566396  1
  Sm  Sm130  1  0.665308  0.263043  0.589239  1
  Sm  Sm131  1  0.659059  0.965764  0.542327  1
  Sm  Sm132  1  0.662032  0.614267  0.566396  1
  Sm  Sm133  1  0.998641  0.929710  0.589239  1
  Sm  Sm134  1  0.992392  0.632431  0.542327  1
  Sm  Sm135  1  0.331974  0.596376  0.589239  1
  Sm  Sm136  1  0.829023  0.958483  0.566982  1
  Sm  Sm137  1  0.159254  0.976601  0.543118  1
  Sm  Sm138  1  0.162356  0.625150  0.566982  1
  Sm  Sm139  1  0.489483  -0.004948  0.519176  1
  Sm  Sm140  1  0.492587  0.643267  0.543118  1
  Sm  Sm141  1  0.495689  0.291817  0.566982  1
  Sm  Sm142  1  0.822816  0.661719  0.519176  1
  Sm  Sm143  1  0.825920  0.309934  0.543118  1
  Sm  Sm144  1  0.156149  0.328385  0.519176  1
  Sm  Sm145  1  0.752712  0.083836  0.613729  1
  Sm  Sm146  1  0.082060  0.100997  0.591067  1
  Sm  Sm147  1  0.086045  0.750502  0.613729  1
  Sm  Sm148  1  0.422651  0.065800  0.637772  1
  Sm  Sm149  1  0.415393  0.767664  0.591067  1
  Sm  Sm150  1  0.419379  0.417169  0.613729  1
  Sm  Sm151  1  0.755984  0.732467  0.637772  1
  Sm  Sm152  1  0.748726  0.434330  0.591067  1
  Sm  Sm153  1  0.089318  0.399134  0.637772  1
  Sm  Sm154  1  0.916726  0.092509  0.602025  1
  Sm  Sm155  1  0.258127  0.055308  0.647623  1
  Sm  Sm156  1  0.250059  0.759175  0.602025  1
  Sm  Sm157  1  0.586333  0.075126  0.624471  1
  Sm  Sm158  1  0.591460  0.721974  0.647623  1
  Sm  Sm159  1  0.583392  0.425842  0.602025  1
  Sm  Sm160  1  0.919667  0.741793  0.624471  1
  Sm  Sm161  1  0.924793  0.388641  0.647623  1
  Sm  Sm162  1  0.253000  0.408460  0.624471  1
  Sm  Sm163  1  0.005939  0.225575  0.637704  1
  Sm  Sm164  1  0.335559  0.244056  0.614060  1
  Sm  Sm165  1  0.339273  0.892241  0.637704  1
  Sm  Sm166  1  0.673315  0.204150  0.658496  1
  Sm  Sm167  1  0.668893  0.910722  0.614060  1
  Sm  Sm168  1  0.672606  0.558908  0.637704  1
  Sm  Sm169  1  0.006648  0.870817  0.658496  1
  Sm  Sm170  1  1.002226  0.577389  0.614060  1
  Sm  Sm171  1  0.339981  0.537484  0.658496  1
  Sm  Sm172  1  0.838606  0.904318  0.638716  1
  Sm  Sm173  1  0.168179  0.924804  0.614498  1
  Sm  Sm174  1  0.171940  0.570985  0.638716  1
  Sm  Sm175  1  0.498960  0.940728  0.590589  1
  Sm  Sm176  1  0.501512  0.591470  0.614498  1
  Sm  Sm177  1  0.505273  0.237651  0.638716  1
  Sm  Sm178  1  0.832293  0.607394  0.590589  1
  Sm  Sm179  1  0.834846  0.258137  0.614498  1
  Sm  Sm180  1  0.165626  0.274061  0.590589  1
  Sm  Sm181  1  0.759437  0.027320  0.684908  1
  Sm  Sm182  1  0.089156  0.042187  0.664263  1
  Sm  Sm183  1  0.092770  0.693987  0.684908  1
  Sm  Sm184  1  0.429466  0.006151  0.708202  1
  Sm  Sm185  1  0.422489  0.708854  0.664263  1
  Sm  Sm186  1  0.426104  0.360654  0.684908  1
  Sm  Sm187  1  0.762799  0.672818  0.708202  1
  Sm  Sm188  1  0.755823  0.375521  0.664263  1
  Sm  Sm189  1  0.096132  0.339485  0.708202  1
  Sm  Sm190  1  0.927288  0.038007  0.674593  1
  Sm  Sm191  1  0.256086  0.014222  0.719996  1
  Sm  Sm192  1  0.260621  0.704674  0.674593  1
  Sm  Sm193  1  0.594891  0.024512  0.695818  1
  Sm  Sm194  1  0.589419  0.680889  0.719996  1
  Sm  Sm195  1  0.593955  0.371341  0.674593  1
  Sm  Sm196  1  0.928224  0.691179  0.695818  1
  Sm  Sm197  1  0.922753  0.347555  0.719996  1
  Sm  Sm198  1  0.261557  0.357846  0.695818  1
  Sm  Sm199  1  0.010160  0.170967  0.710046  1
  Sm  Sm200  1  0.342902  0.184091  0.686443  1
  Sm  Sm201  1  0.343494  0.837634  0.710046  1
  Sm  Sm202  1  0.682880  0.164097  0.730117  1
  Sm  Sm203  1  0.676235  0.850757  0.686443  1
  Sm  Sm204  1  0.676827  0.504301  0.710046  1
  Sm  Sm205  1  0.016213  0.830764  0.730117  1
  Sm  Sm206  1  0.009569  0.517424  0.686443  1
  Sm  Sm207  1  0.349547  0.497431  0.730117  1
  Sm  Sm208  1  0.845993  0.859161  0.710736  1
  Sm  Sm209  1  0.176003  0.871582  0.685525  1
  Sm  Sm210  1  0.179326  0.525827  0.710736  1
  Sm  Sm211  1  0.508844  0.886618  0.663752  1
  Sm  Sm212  1  0.509336  0.538249  0.685525  1
  Sm  Sm213  1  0.512659  0.192494  0.710736  1
  Sm  Sm214  1  0.842177  0.553285  0.663752  1
  Sm  Sm215  1  0.842670  0.204916  0.685525  1
  Sm  Sm216  1  0.175511  0.219952  0.663752  1
