# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.63601971
_cell_length_b   79.34545825
_cell_length_c   49.57919336
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.71233589
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm810
_cell_volume   61338.1331994
_cell_formula_units_Z   810
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  0.482365  0.890306  0.267594  1
  Sm  Sm2  1  0.823428  0.558444  0.269612  1
  Sm  Sm3  1  0.705679  0.886036  0.296400  1
  Sm  Sm4  1  0.097951  0.887561  0.282580  1
  Sm  Sm5  1  0.435683  0.554868  0.283450  1
  Sm  Sm6  1  0.768559  0.221692  0.283095  1
  Sm  Sm7  1  0.156062  0.225258  0.269160  1
  Sm  Sm8  1  0.044847  0.551413  0.295691  1
  Sm  Sm9  1  0.377516  0.218444  0.295583  1
  Sm  Sm10  1  0.239635  0.925919  0.277199  1
  Sm  Sm11  1  0.581583  0.593651  0.277629  1
  Sm  Sm12  1  0.624407  0.928423  0.262027  1
  Sm  Sm13  1  0.846340  0.924667  0.291014  1
  Sm  Sm14  1  0.189025  0.589960  0.291891  1
  Sm  Sm15  1  0.522403  0.256816  0.291722  1
  Sm  Sm16  1  0.914951  0.260479  0.277449  1
  Sm  Sm17  1  0.965793  0.596807  0.263748  1
  Sm  Sm18  1  0.299204  0.263616  0.263562  1
  Sm  Sm19  1  0.380144  0.964519  0.271137  1
  Sm  Sm20  1  0.776253  0.630562  0.275973  1
  Sm  Sm21  1  0.765757  0.966849  0.256253  1
  Sm  Sm22  1  0.987670  0.962565  0.284851  1
  Sm  Sm23  1  0.391134  0.627634  0.290658  1
  Sm  Sm24  1  0.724811  0.294497  0.290612  1
  Sm  Sm25  1  0.110210  0.297393  0.275948  1
  Sm  Sm26  1  0.153717  0.630576  0.261206  1
  Sm  Sm27  1  0.487350  0.297461  0.261141  1
  Sm  Sm28  1  0.552242  0.663102  0.291497  1
  Sm  Sm29  1  0.885905  0.330007  0.291530  1
  Sm  Sm30  1  0.945215  0.663769  0.276553  1
  Sm  Sm31  1  0.162628  0.663661  0.308851  1
  Sm  Sm32  1  0.496210  0.330533  0.308837  1
  Sm  Sm33  1  0.906570  0.004627  0.250399  1
  Sm  Sm34  1  0.128619  0.000843  0.278787  1
  Sm  Sm35  1  0.278852  0.330762  0.276579  1
  Sm  Sm36  1  0.521587  0.002999  0.264675  1
  Sm  Sm37  1  0.304202  0.700408  0.300658  1
  Sm  Sm38  1  0.637837  0.367317  0.300775  1
  Sm  Sm39  1  0.697122  0.701183  0.286723  1
  Sm  Sm40  1  0.080224  0.704175  0.271513  1
  Sm  Sm41  1  0.414024  0.371152  0.271656  1
  Sm  Sm42  1  0.668194  0.041595  0.258213  1
  Sm  Sm43  1  0.875384  0.040316  0.290083  1
  Sm  Sm44  1  0.030720  0.368131  0.286836  1
  Sm  Sm45  1  0.270813  0.040445  0.272859  1
  Sm  Sm46  1  0.222672  0.742235  0.266015  1
  Sm  Sm47  1  0.556624  0.409250  0.266287  1
  Sm  Sm48  1  0.445765  0.738432  0.294485  1
  Sm  Sm49  1  0.837469  0.739821  0.280771  1
  Sm  Sm50  1  0.171129  0.406802  0.280992  1
  Sm  Sm51  1  0.485578  0.075694  0.275675  1
  Sm  Sm52  1  0.855549  0.080629  0.257263  1
  Sm  Sm53  1  0.779552  0.405367  0.294707  1
  Sm  Sm54  1  0.089081  0.073726  0.289945  1
  Sm  Sm55  1  0.364483  0.780390  0.259740  1
  Sm  Sm56  1  0.698720  0.447427  0.260117  1
  Sm  Sm57  1  0.586952  0.776430  0.288151  1
  Sm  Sm58  1  0.979273  0.778396  0.274184  1
  Sm  Sm59  1  0.313271  0.445354  0.274452  1
  Sm  Sm60  1  0.639462  0.112460  0.272854  1
  Sm  Sm61  1  0.022940  0.114613  0.258032  1
  Sm  Sm62  1  0.920929  0.443448  0.288485  1
  Sm  Sm63  1  0.248147  0.109718  0.286949  1
  Sm  Sm64  1  0.505379  0.817632  0.253665  1
  Sm  Sm65  1  0.839828  0.484760  0.254131  1
  Sm  Sm66  1  0.730085  0.816134  0.281955  1
  Sm  Sm67  1  0.126397  0.816977  0.267687  1
  Sm  Sm68  1  0.460923  0.484009  0.268139  1
  Sm  Sm69  1  0.792360  0.150801  0.267904  1
  Sm  Sm70  1  0.170360  0.151567  0.253923  1
  Sm  Sm71  1  0.064252  0.483528  0.282538  1
  Sm  Sm72  1  0.396153  0.150023  0.282267  1
  Sm  Sm73  1  0.329799  0.853678  0.267412  1
  Sm  Sm74  1  0.666946  0.521246  0.268769  1
  Sm  Sm75  1  0.555094  0.850069  0.302706  1
  Sm  Sm76  1  0.946392  0.851147  0.285194  1
  Sm  Sm77  1  0.283489  0.518174  0.286847  1
  Sm  Sm78  1  0.615977  0.184907  0.286488  1
  Sm  Sm79  1  0.998548  0.188147  0.268167  1
  Sm  Sm80  1  0.889492  0.516888  0.303558  1
  Sm  Sm81  1  0.222121  0.183705  0.302972  1
  Sm  Sm82  1  0.309834  0.886488  0.316227  1
  Sm  Sm83  1  0.645468  0.553894  0.316976  1
  Sm  Sm84  1  0.517447  0.884113  0.346247  1
  Sm  Sm85  1  0.913725  0.885366  0.331026  1
  Sm  Sm86  1  0.248136  0.552390  0.332326  1
  Sm  Sm87  1  0.581570  0.219168  0.332016  1
  Sm  Sm88  1  0.978766  0.220684  0.316678  1
  Sm  Sm89  1  0.851475  0.550759  0.347025  1
  Sm  Sm90  1  0.185047  0.217547  0.346745  1
  Sm  Sm91  1  0.052148  0.923797  0.325027  1
  Sm  Sm92  1  0.393214  0.589677  0.326159  1
  Sm  Sm93  1  0.447744  0.925470  0.310483  1
  Sm  Sm94  1  0.654690  0.922047  0.339075  1
  Sm  Sm95  1  0.991856  0.586306  0.339368  1
  Sm  Sm96  1  0.325362  0.253201  0.339308  1
  Sm  Sm97  1  0.726714  0.256464  0.325939  1
  Sm  Sm98  1  0.785680  0.592397  0.311998  1
  Sm  Sm99  1  0.119381  0.259139  0.311770  1
  Sm  Sm100  1  0.191678  0.962207  0.318819  1
  Sm  Sm101  1  0.614558  0.625114  0.329424  1
  Sm  Sm102  1  0.588030  0.963789  0.304227  1
  Sm  Sm103  1  0.793599  0.960305  0.332887  1
  Sm  Sm104  1  0.225271  0.623601  0.343089  1
  Sm  Sm105  1  0.558745  0.290408  0.342979  1
  Sm  Sm106  1  0.948187  0.291930  0.329287  1
  Sm  Sm107  1  1.009532  0.625804  0.315720  1
  Sm  Sm108  1  0.343005  0.292672  0.315560  1
  Sm  Sm109  1  0.373839  0.660744  0.340663  1
  Sm  Sm110  1  0.707284  0.327576  0.340643  1
  Sm  Sm111  1  0.767362  0.662069  0.325860  1
  Sm  Sm112  1  0.973713  0.660307  0.357015  1
  Sm  Sm113  1  0.307117  0.327113  0.356986  1
  Sm  Sm114  1  0.726696  0.002515  0.298018  1
  Sm  Sm115  1  0.932589  0.998731  0.326402  1
  Sm  Sm116  1  0.100887  0.328927  0.325828  1
  Sm  Sm117  1  0.330721  0.001012  0.312432  1
  Sm  Sm118  1  0.111639  0.698490  0.349863  1
  Sm  Sm119  1  0.444990  0.365299  0.349931  1
  Sm  Sm120  1  0.510977  0.699366  0.334544  1
  Sm  Sm121  1  0.906506  0.700556  0.319633  1
  Sm  Sm122  1  0.239995  0.367447  0.319726  1
  Sm  Sm123  1  0.474313  0.037901  0.306856  1
  Sm  Sm124  1  0.671952  0.035828  0.336757  1
  Sm  Sm125  1  0.844425  0.366207  0.334634  1
  Sm  Sm126  1  0.076455  0.035674  0.320788  1
  Sm  Sm127  1  0.045364  0.739428  0.314032  1
  Sm  Sm128  1  0.378898  0.406331  0.314221  1
  Sm  Sm129  1  0.251956  0.736141  0.342753  1
  Sm  Sm130  1  0.649961  0.737687  0.328600  1
  Sm  Sm131  1  0.983422  0.404536  0.328790  1
  Sm  Sm132  1  0.307091  0.071911  0.325858  1
  Sm  Sm133  1  0.702074  0.073727  0.310923  1
  Sm  Sm134  1  0.585271  0.402962  0.342945  1
  Sm  Sm135  1  0.913392  0.070832  0.341111  1
  Sm  Sm136  1  0.184745  0.778070  0.307690  1
  Sm  Sm137  1  0.518376  0.444993  0.308037  1
  Sm  Sm138  1  0.390612  0.774201  0.336353  1
  Sm  Sm139  1  0.788754  0.776604  0.321962  1
  Sm  Sm140  1  0.122261  0.443512  0.322185  1
  Sm  Sm141  1  0.455420  0.109932  0.321599  1
  Sm  Sm142  1  0.851061  0.111607  0.307716  1
  Sm  Sm143  1  0.723999  0.441004  0.336632  1
  Sm  Sm144  1  0.061260  0.107852  0.336660  1
  Sm  Sm145  1  0.329255  0.815319  0.301886  1
  Sm  Sm146  1  0.663296  0.482261  0.302180  1
  Sm  Sm147  1  0.533068  0.811364  0.329978  1
  Sm  Sm148  1  0.932976  0.813396  0.316385  1
  Sm  Sm149  1  0.266757  0.480163  0.316797  1
  Sm  Sm150  1  0.600525  0.146640  0.316455  1
  Sm  Sm151  1  0.996393  0.148929  0.301952  1
  Sm  Sm152  1  0.866613  0.478171  0.330378  1
  Sm  Sm153  1  0.202216  0.144847  0.330281  1
  Sm  Sm154  1  0.162674  0.849136  0.320039  1
  Sm  Sm155  1  0.498098  0.516107  0.320791  1
  Sm  Sm156  1  0.372379  0.846602  0.351289  1
  Sm  Sm157  1  0.768823  0.847740  0.335460  1
  Sm  Sm158  1  0.103561  0.514331  0.336548  1
  Sm  Sm159  1  0.436591  0.181091  0.335961  1
  Sm  Sm160  1  0.831269  0.182973  0.320368  1
  Sm  Sm161  1  0.706097  0.513285  0.351967  1
  Sm  Sm162  1  0.039739  0.180032  0.351468  1
  Sm  Sm163  1  0.116763  0.882914  0.362345  1
  Sm  Sm164  1  0.450891  0.549635  0.363155  1
  Sm  Sm165  1  0.317689  0.880021  0.391963  1
  Sm  Sm166  1  0.716840  0.881479  0.376480  1
  Sm  Sm167  1  0.050656  0.548124  0.377327  1
  Sm  Sm168  1  0.384405  0.214911  0.377078  1
  Sm  Sm169  1  0.784390  0.216449  0.362904  1
  Sm  Sm170  1  0.651493  0.546727  0.392726  1
  Sm  Sm171  1  0.985130  0.213474  0.392393  1
  Sm  Sm172  1  0.853592  0.920172  0.370423  1
  Sm  Sm173  1  0.188029  0.586681  0.370812  1
  Sm  Sm174  1  0.253086  0.921459  0.356129  1
  Sm  Sm175  1  0.454536  0.918491  0.385554  1
  Sm  Sm176  1  0.789035  0.584463  0.386063  1
  Sm  Sm177  1  0.122518  0.251236  0.385856  1
  Sm  Sm178  1  0.521610  0.253446  0.370596  1
  Sm  Sm179  1  0.589621  0.587101  0.357505  1
  Sm  Sm180  1  0.923192  0.253900  0.357291  1
  Sm  Sm181  1  0.992252  0.958481  0.364158  1
  Sm  Sm182  1  0.428895  0.621204  0.376516  1
  Sm  Sm183  1  0.391840  0.959857  0.349922  1
  Sm  Sm184  1  0.593719  0.956649  0.379154  1
  Sm  Sm185  1  0.032220  0.619664  0.392034  1
  Sm  Sm186  1  0.365686  0.286440  0.391909  1
  Sm  Sm187  1  0.762374  0.287986  0.376366  1
  Sm  Sm188  1  0.827811  0.622579  0.361416  1
  Sm  Sm189  1  0.161263  0.289362  0.361280  1
  Sm  Sm190  1  0.174854  0.656844  0.386100  1
  Sm  Sm191  1  0.508241  0.323614  0.386061  1
  Sm  Sm192  1  0.575475  0.658805  0.372490  1
  Sm  Sm193  1  0.775718  0.656021  0.402313  1
  Sm  Sm194  1  0.109112  0.322760  0.402266  1
  Sm  Sm195  1  0.530131  0.998280  0.343717  1
  Sm  Sm196  1  0.732229  0.995121  0.372744  1
  Sm  Sm197  1  0.908890  0.325576  0.372452  1
  Sm  Sm198  1  0.131445  0.996794  0.358297  1
  Sm  Sm199  1  0.912366  0.694541  0.395732  1
  Sm  Sm200  1  0.245697  0.361300  0.395793  1
  Sm  Sm201  1  0.311100  0.695583  0.379566  1
  Sm  Sm202  1  0.712368  0.697175  0.365905  1
  Sm  Sm203  1  0.045718  0.363955  0.365975  1
  Sm  Sm204  1  0.272050  0.034278  0.351968  1
  Sm  Sm205  1  0.470508  0.031840  0.382165  1
  Sm  Sm206  1  0.644421  0.362359  0.379640  1
  Sm  Sm207  1  0.870960  0.032826  0.365839  1
  Sm  Sm208  1  0.850596  0.735555  0.359646  1
  Sm  Sm209  1  0.183902  0.402366  0.359805  1
  Sm  Sm210  1  0.051955  0.732669  0.389288  1
  Sm  Sm211  1  0.450579  0.734080  0.373861  1
  Sm  Sm212  1  0.783859  0.400844  0.374031  1
  Sm  Sm213  1  0.115505  0.068239  0.372504  1
  Sm  Sm214  1  0.514153  0.069777  0.357785  1
  Sm  Sm215  1  0.385234  0.399432  0.389455  1
  Sm  Sm216  1  0.717502  0.066975  0.388437  1
  Sm  Sm217  1  0.988537  0.774025  0.353452  1
  Sm  Sm218  1  0.321841  0.440829  0.353748  1
  Sm  Sm219  1  0.190487  0.770876  0.382646  1
  Sm  Sm220  1  0.589377  0.772604  0.367606  1
  Sm  Sm221  1  0.922661  0.439363  0.367863  1
  Sm  Sm222  1  0.260187  0.106064  0.367880  1
  Sm  Sm223  1  0.658137  0.107515  0.353569  1
  Sm  Sm224  1  0.523724  0.437676  0.382914  1
  Sm  Sm225  1  0.859805  0.104351  0.382565  1
  Sm  Sm226  1  0.128990  0.811489  0.346861  1
  Sm  Sm227  1  0.462258  0.478438  0.347094  1
  Sm  Sm228  1  0.329785  0.808448  0.375754  1
  Sm  Sm229  1  0.728894  0.810220  0.360852  1
  Sm  Sm230  1  0.062046  0.476904  0.361304  1
  Sm  Sm231  1  0.397406  0.143743  0.361329  1
  Sm  Sm232  1  0.796126  0.145431  0.346996  1
  Sm  Sm233  1  0.663013  0.475174  0.376129  1
  Sm  Sm234  1  0.996886  0.141983  0.375707  1
  Sm  Sm235  1  0.973220  0.845408  0.367221  1
  Sm  Sm236  1  0.307237  0.512212  0.368126  1
  Sm  Sm237  1  0.176287  0.842663  0.397947  1
  Sm  Sm238  1  0.574164  0.843895  0.381998  1
  Sm  Sm239  1  0.907618  0.510559  0.382740  1
  Sm  Sm240  1  0.241366  0.177367  0.382373  1
  Sm  Sm241  1  0.640347  0.179025  0.367672  1
  Sm  Sm242  1  0.509823  0.509361  0.398656  1
  Sm  Sm243  1  0.843441  0.176189  0.398318  1
  Sm  Sm244  1  0.916969  0.878775  0.407205  1
  Sm  Sm245  1  0.249906  0.545822  0.408005  1
  Sm  Sm246  1  0.118577  0.876163  0.438115  1
  Sm  Sm247  1  0.518348  0.877349  0.422638  1
  Sm  Sm248  1  0.851105  0.544196  0.423517  1
  Sm  Sm249  1  0.184772  0.210957  0.423208  1
  Sm  Sm250  1  0.583724  0.212616  0.407764  1
  Sm  Sm251  1  0.451025  0.543013  0.438763  1
  Sm  Sm252  1  0.784733  0.209785  0.438488  1
  Sm  Sm253  1  0.655352  0.915875  0.416091  1
  Sm  Sm254  1  0.989044  0.581845  0.416553  1
  Sm  Sm255  1  0.053752  0.917351  0.401009  1
  Sm  Sm256  1  0.255979  0.914652  0.431817  1
  Sm  Sm257  1  0.589556  0.580587  0.432407  1
  Sm  Sm258  1  0.923130  0.247319  0.432178  1
  Sm  Sm259  1  0.322560  0.248607  0.416358  1
  Sm  Sm260  1  0.387110  0.583320  0.401439  1
  Sm  Sm261  1  0.720684  0.250113  0.401224  1
  Sm  Sm262  1  0.794302  0.954326  0.410149  1
  Sm  Sm263  1  0.234486  0.617234  0.422972  1
  Sm  Sm264  1  0.192622  0.955700  0.394953  1
  Sm  Sm265  1  0.395107  0.952944  0.425642  1
  Sm  Sm266  1  0.836459  0.615827  0.438480  1
  Sm  Sm267  1  0.169852  0.282545  0.438349  1
  Sm  Sm268  1  0.567920  0.283970  0.422838  1
  Sm  Sm269  1  0.633862  0.618580  0.407852  1
  Sm  Sm270  1  0.967256  0.285326  0.407721  1
  Sm  Sm271  1  0.976889  0.653238  0.432737  1
  Sm  Sm272  1  0.310243  0.319955  0.432695  1
  Sm  Sm273  1  0.375580  0.654649  0.417189  1
  Sm  Sm274  1  0.576868  0.652042  0.448141  1
  Sm  Sm275  1  0.910234  0.318735  0.448097  1
  Sm  Sm276  1  0.331146  0.994168  0.388762  1
  Sm  Sm277  1  0.533204  0.991493  0.419283  1
  Sm  Sm278  1  0.708962  0.321376  0.417145  1
  Sm  Sm279  1  0.932264  0.992943  0.403815  1
  Sm  Sm280  1  0.713698  0.690557  0.441774  1
  Sm  Sm281  1  0.047037  0.357255  0.441829  1
  Sm  Sm282  1  0.113719  0.691631  0.426052  1
  Sm  Sm283  1  0.511558  0.693192  0.410700  1
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