# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.87394787
_cell_length_b   15.41328521
_cell_length_c   47.92419236
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.27428794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm216
_cell_volume   17754.6776824
_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  0.393472  0.860558  0.292325  1
  Sm  Sm2  1  0.384445  0.652764  0.322194  1
  Sm  Sm3  1  0.891586  0.766241  0.306724  1
  Sm  Sm4  1  0.414160  0.240996  0.305872  1
  Sm  Sm5  1  0.922194  0.356821  0.291140  1
  Sm  Sm6  1  0.883564  0.163538  0.321574  1
  Sm  Sm7  1  0.635036  0.715300  0.312821  1
  Sm  Sm8  1  0.642971  0.317713  0.299650  1
  Sm  Sm9  1  0.160094  0.409843  0.283881  1
  Sm  Sm10  1  0.604494  0.122155  0.323397  1
  Sm  Sm11  1  0.112139  0.227023  0.307165  1
  Sm  Sm12  1  0.142196  0.823596  0.298983  1
  Sm  Sm13  1  0.763472  0.471521  0.310139  1
  Sm  Sm14  1  0.767195  0.084991  0.296438  1
  Sm  Sm15  1  0.280941  0.179912  0.281279  1
  Sm  Sm16  1  0.784737  0.671213  0.281694  1
  Sm  Sm17  1  0.250550  0.990160  0.310618  1
  Sm  Sm18  1  0.262324  0.587070  0.295318  1
  Sm  Sm19  1  0.506578  0.952909  0.314541  1
  Sm  Sm20  1  0.522311  0.570906  0.294100  1
  Sm  Sm21  1  1.001325  0.859824  0.328788  1
  Sm  Sm22  1  0.501809  0.365665  0.327924  1
  Sm  Sm23  1  0.012839  0.479861  0.309216  1
  Sm  Sm24  1  0.020235  0.068201  0.295674  1
  Sm  Sm25  1  0.368894  0.068913  0.340240  1
  Sm  Sm26  1  0.364159  0.866224  0.369679  1
  Sm  Sm27  1  0.861091  0.969489  0.355218  1
  Sm  Sm28  1  0.367048  0.463675  0.355035  1
  Sm  Sm29  1  0.877749  0.559894  0.339903  1
  Sm  Sm30  1  0.861703  0.367697  0.370286  1
  Sm  Sm31  1  0.615268  0.918555  0.363548  1
  Sm  Sm32  1  0.623889  0.514013  0.347766  1
  Sm  Sm33  1  0.122832  0.619140  0.328985  1
  Sm  Sm34  1  0.606810  0.316946  0.378164  1
  Sm  Sm35  1  0.114821  0.418523  0.361935  1
  Sm  Sm36  1  0.123250  0.019216  0.348436  1
  Sm  Sm37  1  0.743217  0.689569  0.359206  1
  Sm  Sm38  1  0.749125  0.287687  0.346585  1
  Sm  Sm39  1  0.263408  0.381904  0.329657  1
  Sm  Sm40  1  0.744595  0.888342  0.325924  1
  Sm  Sm41  1  0.232141  0.198169  0.356645  1
  Sm  Sm42  1  0.251483  0.790425  0.344086  1
  Sm  Sm43  1  0.488347  0.148444  0.366577  1
  Sm  Sm44  1  0.498306  0.747918  0.348588  1
  Sm  Sm45  1  0.981701  0.050198  0.379093  1
  Sm  Sm46  1  0.483670  0.550559  0.379240  1
  Sm  Sm47  1  0.988860  0.653742  0.364729  1
  Sm  Sm48  1  0.997759  0.251967  0.350610  1
  Sm  Sm49  1  0.355511  0.272151  0.387030  1
  Sm  Sm50  1  0.344351  0.080916  0.416992  1
  Sm  Sm51  1  0.850289  0.176986  0.402082  1
  Sm  Sm52  1  0.350647  0.676819  0.401787  1
  Sm  Sm53  1  0.855234  0.772856  0.385926  1
  Sm  Sm54  1  0.845650  0.580673  0.417245  1
  Sm  Sm55  1  0.598210  0.126187  0.410142  1
  Sm  Sm56  1  0.605952  0.723057  0.394536  1
  Sm  Sm57  1  0.108176  0.821854  0.378328  1
  Sm  Sm58  1  0.590806  0.531429  0.424457  1
  Sm  Sm59  1  0.098967  0.628100  0.409383  1
  Sm  Sm60  1  0.106106  0.225451  0.394874  1
  Sm  Sm61  1  0.725394  0.902312  0.406688  1
  Sm  Sm62  1  0.731824  0.502168  0.390829  1
  Sm  Sm63  1  0.234683  0.601310  0.374017  1
  Sm  Sm64  1  0.727023  0.099359  0.372459  1
  Sm  Sm65  1  0.223641  0.406151  0.405509  1
  Sm  Sm66  1  0.233349  1.000414  0.391782  1
  Sm  Sm67  1  0.471212  0.356038  0.411705  1
  Sm  Sm68  1  0.477110  0.950045  0.396911  1
  Sm  Sm69  1  0.965116  0.259145  0.427794  1
  Sm  Sm70  1  0.465573  0.757187  0.427638  1
  Sm  Sm71  1  0.970976  0.857600  0.411364  1
  Sm  Sm72  1  0.978702  0.453708  0.395650  1
  Sm  Sm73  1  0.338197  0.485129  0.433177  1
  Sm  Sm74  1  0.325063  0.292094  0.464441  1
  Sm  Sm75  1  0.831949  0.388550  0.449020  1
  Sm  Sm76  1  0.332874  0.887686  0.448973  1
  Sm  Sm77  1  0.837375  0.985381  0.432565  1
  Sm  Sm78  1  0.826167  0.791714  0.464690  1
  Sm  Sm79  1  0.579098  0.339445  0.456922  1
  Sm  Sm80  1  0.584914  0.936010  0.440948  1
  Sm  Sm81  1  0.090049  0.034813  0.424411  1
  Sm  Sm82  1  0.572752  0.742444  0.472342  1
  Sm  Sm83  1  0.079047  0.840790  0.456530  1
  Sm  Sm84  1  0.085213  0.438632  0.440863  1
  Sm  Sm85  1  0.704785  0.115557  0.453505  1
  Sm  Sm86  1  0.711785  0.712304  0.438224  1
  Sm  Sm87  1  0.216884  0.810270  0.421711  1
  Sm  Sm88  1  0.716340  0.308816  0.421659  1
  Sm  Sm89  1  0.205146  0.616667  0.453356  1
  Sm  Sm90  1  0.211753  0.213831  0.437690  1
  Sm  Sm91  1  0.453202  0.564353  0.459220  1
  Sm  Sm92  1  0.459054  0.161703  0.444048  1
  Sm  Sm93  1  0.946996  0.469004  0.474816  1
  Sm  Sm94  1  0.446425  0.967634  0.475281  1
  Sm  Sm95  1  0.953008  0.065380  0.459261  1
  Sm  Sm96  1  0.959385  0.663446  0.443267  1
  Sm  Sm97  1  0.319785  0.695171  0.480186  1
  Sm  Sm98  1  0.307268  0.502445  0.511734  1
  Sm  Sm99  1  0.813527  0.598808  0.495960  1
  Sm  Sm100  1  0.313527  0.098808  0.495960  1
  Sm  Sm101  1  0.819381  0.195095  0.479974  1
  Sm  Sm102  1  0.807672  1.002521  0.511946  1
  Sm  Sm103  1  0.560332  0.549553  0.503770  1
  Sm  Sm104  1  0.566800  0.146082  0.488390  1
  Sm  Sm105  1  0.073164  0.244651  0.472165  1
  Sm  Sm106  1  0.553890  0.952965  0.519756  1
  Sm  Sm107  1  0.060254  0.051534  0.503530  1
  Sm  Sm108  1  0.066722  0.648063  0.488150  1
  Sm  Sm109  1  0.686735  0.325099  0.501491  1
  Sm  Sm110  1  0.692576  0.922336  0.485298  1
  Sm  Sm111  1  0.198735  0.019625  0.469341  1
  Sm  Sm112  1  0.698433  0.518338  0.469271  1
  Sm  Sm113  1  0.186579  0.826119  0.501186  1
  Sm  Sm114  1  0.192405  0.424039  0.485087  1
  Sm  Sm115  1  0.434648  0.773577  0.506833  1
  Sm  Sm116  1  0.440474  0.371497  0.490734  1
  Sm  Sm117  1  0.928620  0.679278  0.522649  1
  Sm  Sm118  1  0.428319  0.177991  0.522579  1
  Sm  Sm119  1  0.934478  0.275280  0.506622  1
  Sm  Sm120  1  0.940319  0.872517  0.490429  1
  Sm  Sm121  1  0.301991  0.905522  0.527479  1
  Sm  Sm122  1  0.288857  0.712487  0.558743  1
  Sm  Sm123  1  0.795104  0.809066  0.542900  1
  Sm  Sm124  1  0.294179  0.309930  0.542947  1
  Sm  Sm125  1  0.800887  0.405902  0.527230  1
  Sm  Sm126  1  0.789679  0.212235  0.559356  1
  Sm  Sm127  1  0.541841  0.758984  0.551057  1
  Sm  Sm128  1  0.548006  0.356826  0.535390  1
  Sm  Sm129  1  0.054301  0.455172  0.519578  1
  Sm  Sm130  1  0.537005  0.162803  0.567509  1
  Sm  Sm131  1  0.042140  0.261606  0.550972  1
  Sm  Sm132  1  0.047956  0.858171  0.534998  1
  Sm  Sm133  1  0.667668  0.534170  0.548653  1
  Sm  Sm134  1  0.674045  0.132236  0.532659  1
  Sm  Sm135  1  0.180629  0.229982  0.516639  1
  Sm  Sm136  1  0.680057  0.728612  0.517104  1
  Sm  Sm137  1  0.167999  0.035913  0.547872  1
  Sm  Sm138  1  0.173852  0.633263  0.532700  1
  Sm  Sm139  1  0.415300  0.983785  0.554231  1
  Sm  Sm140  1  0.421907  0.580949  0.538564  1
  Sm  Sm141  1  0.910714  0.888800  0.570261  1
  Sm  Sm142  1  0.410170  0.387346  0.570209  1
  Sm  Sm143  1  0.915269  0.485312  0.553696  1
  Sm  Sm144  1  0.922268  0.082059  0.538415  1
  Sm  Sm145  1  0.282703  0.116700  0.574928  1
  Sm  Sm146  1  0.271542  0.925465  0.604891  1
  Sm  Sm147  1  0.776765  0.020630  0.589839  1
  Sm  Sm148  1  0.276406  0.520797  0.590133  1
  Sm  Sm149  1  0.781404  0.616943  0.574675  1
  Sm  Sm150  1  0.771820  0.424760  0.605994  1
  Sm  Sm151  1  0.520948  0.972165  0.597046  1
  Sm  Sm152  1  0.528086  0.569516  0.582537  1
  Sm  Sm153  1  0.036247  0.666187  0.567463  1
  Sm  Sm154  1  0.518877  0.375762  0.613593  1
  Sm  Sm155  1  0.021101  0.474559  0.597384  1
  Sm  Sm156  1  0.028844  0.071429  0.581778  1
  Sm  Sm157  1  0.648352  0.743908  0.596270  1
  Sm  Sm158  1  0.656078  0.340016  0.580556  1
  Sm  Sm159  1  0.161480  0.440429  0.564282  1
  Sm  Sm160  1  0.661937  0.938471  0.564127  1
  Sm  Sm161  1  0.149943  0.247571  0.595009  1
  Sm  Sm162  1  0.155841  0.841578  0.580215  1
  Sm  Sm163  1  0.393704  0.197202  0.600138  1
  Sm  Sm164  1  0.403412  0.791465  0.586411  1
  Sm  Sm165  1  0.900030  0.098257  0.619461  1
  Sm  Sm166  1  0.392370  0.596306  0.617904  1
  Sm  Sm167  1  0.895229  0.695448  0.601091  1
  Sm  Sm168  1  0.901659  0.295304  0.585232  1
  Sm  Sm169  1  0.262895  0.331392  0.622241  1
  Sm  Sm170  1  0.258160  0.128703  0.651680  1
  Sm  Sm171  1  0.765962  0.228127  0.636702  1
  Sm  Sm172  1  0.260006  0.733941  0.636885  1
  Sm  Sm173  1  0.765351  0.829919  0.621634  1
  Sm  Sm174  1  0.749305  0.637722  0.652017  1
  Sm  Sm175  1  0.503804  0.178400  0.643484  1
  Sm  Sm176  1  0.512232  0.779093  0.629985  1
  Sm  Sm177  1  0.020244  0.880670  0.613756  1
  Sm  Sm178  1  0.504221  0.578476  0.662935  1
  Sm  Sm179  1  1.003165  0.683603  0.644154  1
  Sm  Sm180  1  0.011785  0.279061  0.628373  1
  Sm  Sm181  1  0.629295  0.945649  0.641310  1
  Sm  Sm182  1  0.638194  0.543874  0.627191  1
  Sm  Sm183  1  0.143384  0.647057  0.612680  1
  Sm  Sm184  1  0.645352  0.147418  0.612827  1
  Sm  Sm185  1  0.128748  0.449698  0.643332  1
  Sm  Sm186  1  0.138706  0.049172  0.625343  1
  Sm  Sm187  1  0.375570  0.407191  0.647834  1
  Sm  Sm188  1  0.394912  0.999447  0.635276  1
  Sm  Sm189  1  0.882458  0.309274  0.665996  1
  Sm  Sm190  1  0.363646  0.815712  0.662263  1
  Sm  Sm191  1  0.877928  0.909929  0.645335  1
  Sm  Sm192  1  0.883837  0.508047  0.632714  1
  Sm  Sm193  1  0.242609  0.544852  0.669727  1
  Sm  Sm194  1  0.233581  0.337058  0.699595  1
  Sm  Sm195  1  0.735467  0.431375  0.685196  1
  Sm  Sm196  1  0.212894  0.956620  0.686048  1
  Sm  Sm197  1  0.743490  0.034078  0.670346  1
  Sm  Sm198  1  0.704860  0.840795  0.700780  1
  Sm  Sm199  1  0.484857  0.374020  0.692937  1
  Sm  Sm200  1  0.514915  0.970593  0.684755  1
  Sm  Sm201  1  0.022560  0.075461  0.668523  1
  Sm  Sm202  1  0.466959  0.787773  0.708039  1
  Sm  Sm203  1  0.984083  0.879903  0.692270  1
  Sm  Sm204  1  0.992017  0.482316  0.679099  1
  Sm  Sm205  1  0.606818  0.129415  0.696247  1
  Sm  Sm206  1  0.614214  0.717755  0.682704  1
  Sm  Sm207  1  0.125244  0.831951  0.663996  1
  Sm  Sm208  1  0.625729  0.337792  0.663132  1
  Sm  Sm209  1  0.104742  0.626710  0.697820  1
  Sm  Sm210  1  0.120475  0.244707  0.677379  1
  Sm  Sm211  1  0.364729  0.610546  0.696602  1
  Sm  Sm212  1  0.376503  0.207456  0.681302  1
  Sm  Sm213  1  0.842316  0.526403  0.710226  1
  Sm  Sm214  1  0.346112  0.017704  0.710641  1
  Sm  Sm215  1  0.859858  0.112625  0.695482  1
  Sm  Sm216  1  0.863581  0.726095  0.681782  1
