# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.18004327
_cell_length_b   26.42295321
_cell_length_c   48.10326951
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.71896808
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm576
_cell_volume   45615.1265754
_cell_formula_units_Z   576
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  0.602299  0.417436  0.316813  1
  Sm  Sm2  1  0.270289  0.247578  0.317572  1
  Sm  Sm3  1  0.280568  0.459968  0.284538  1
  Sm  Sm4  1  0.601244  0.914904  0.316843  1
  Sm  Sm5  1  0.611392  0.127185  0.284296  1
  Sm  Sm6  1  0.611532  0.266802  0.301433  1
  Sm  Sm7  1  0.936403  0.080310  0.317539  1
  Sm  Sm8  1  0.946744  0.293188  0.284424  1
  Sm  Sm9  1  0.944719  0.433577  0.301759  1
  Sm  Sm10  1  0.267828  0.750338  0.316799  1
  Sm  Sm11  1  0.266879  0.888957  0.335647  1
  Sm  Sm12  1  0.280997  0.100607  0.301596  1
  Sm  Sm13  1  0.600425  0.555190  0.335893  1
  Sm  Sm14  1  0.610786  0.766507  0.302090  1
  Sm  Sm15  1  0.934680  0.583722  0.316812  1
  Sm  Sm16  1  0.933533  0.722310  0.335907  1
  Sm  Sm17  1  0.947373  0.934230  0.301824  1
  Sm  Sm18  1  0.277862  0.600332  0.301782  1
  Sm  Sm19  1  0.769923  0.390595  0.336508  1
  Sm  Sm20  1  0.439296  0.296198  0.282926  1
  Sm  Sm21  1  0.438875  0.441052  0.298874  1
  Sm  Sm22  1  0.769554  0.892568  0.334845  1
  Sm  Sm23  1  0.773293  0.109167  0.299101  1
  Sm  Sm24  1  0.770458  0.247837  0.317069  1
  Sm  Sm25  1  0.108989  0.127359  0.283744  1
  Sm  Sm26  1  0.106572  0.273638  0.298857  1
  Sm  Sm27  1  0.103402  0.414020  0.317222  1
  Sm  Sm28  1  0.436578  0.723467  0.336347  1
  Sm  Sm29  1  0.438988  0.941817  0.299204  1
  Sm  Sm30  1  0.436821  0.080324  0.317709  1
  Sm  Sm31  1  0.773108  0.608746  0.299112  1
  Sm  Sm32  1  0.768843  0.748015  0.316917  1
  Sm  Sm33  1  0.102783  0.556763  0.336880  1
  Sm  Sm34  1  0.106097  0.774618  0.299541  1
  Sm  Sm35  1  0.101513  0.913210  0.317727  1
  Sm  Sm36  1  0.435112  0.580670  0.317402  1
  Sm  Sm37  1  0.855946  0.362923  0.296671  1
  Sm  Sm38  1  0.520866  0.197330  0.296768  1
  Sm  Sm39  1  0.520641  0.339085  0.315351  1
  Sm  Sm40  1  0.860436  0.859967  0.297607  1
  Sm  Sm41  1  0.852825  0.003352  0.315140  1
  Sm  Sm42  1  0.863076  0.217858  0.280579  1
  Sm  Sm43  1  0.192121  0.027457  0.297791  1
  Sm  Sm44  1  0.188570  0.171215  0.315821  1
  Sm  Sm45  1  0.196478  0.384865  0.280713  1
  Sm  Sm46  1  0.525769  0.692417  0.297811  1
  Sm  Sm47  1  0.518371  0.836907  0.315040  1
  Sm  Sm48  1  0.528384  0.052532  0.280764  1
  Sm  Sm49  1  0.852402  0.504291  0.314870  1
  Sm  Sm50  1  0.860303  0.717826  0.280588  1
  Sm  Sm51  1  0.189160  0.529300  0.296987  1
  Sm  Sm52  1  0.185448  0.670629  0.315206  1
  Sm  Sm53  1  0.192510  0.885778  0.280933  1
  Sm  Sm54  1  0.526976  0.551108  0.280714  1
  Sm  Sm55  1  0.691380  0.490413  0.317425  1
  Sm  Sm56  1  0.352971  0.328263  0.317354  1
  Sm  Sm57  1  0.350385  0.467042  0.337224  1
  Sm  Sm58  1  0.688859  0.995226  0.312669  1
  Sm  Sm59  1  0.683890  0.133527  0.335842  1
  Sm  Sm60  1  0.690669  0.346653  0.304322  1
  Sm  Sm61  1  0.020049  0.161608  0.316085  1
  Sm  Sm62  1  0.017468  0.300451  0.336550  1
  Sm  Sm63  1  0.023615  0.513286  0.304463  1
  Sm  Sm64  1  0.357344  0.823564  0.317517  1
  Sm  Sm65  1  0.349223  0.967281  0.333456  1
  Sm  Sm66  1  0.361063  0.184204  0.302115  1
  Sm  Sm67  1  0.683027  0.633812  0.332951  1
  Sm  Sm68  1  0.690510  0.847654  0.304301  1
  Sm  Sm69  1  0.024047  0.656818  0.317726  1
  Sm  Sm70  1  0.016181  0.800464  0.333549  1
  Sm  Sm71  1  0.027490  0.017958  0.301821  1
  Sm  Sm72  1  0.356725  0.680188  0.304575  1
  Sm  Sm73  1  0.594226  0.333413  0.372829  1
  Sm  Sm74  1  0.259723  0.166156  0.374394  1
  Sm  Sm75  1  0.265985  0.384101  0.340757  1
  Sm  Sm76  1  0.593445  0.833453  0.373323  1
  Sm  Sm77  1  0.600688  0.049381  0.340386  1
  Sm  Sm78  1  0.595239  0.190951  0.357375  1
  Sm  Sm79  1  0.925717  -0.000414  0.374274  1
  Sm  Sm80  1  0.933028  0.216996  0.340634  1
  Sm  Sm81  1  0.929271  0.357371  0.357733  1
  Sm  Sm82  1  0.260276  0.666919  0.372824  1
  Sm  Sm83  1  0.256173  0.805690  0.392920  1
  Sm  Sm84  1  0.261962  0.025545  0.357877  1
  Sm  Sm85  1  0.589659  0.472126  0.393113  1
  Sm  Sm86  1  0.595965  0.690376  0.358406  1
  Sm  Sm87  1  0.927357  0.500094  0.372704  1
  Sm  Sm88  1  0.923016  0.638908  0.392978  1
  Sm  Sm89  1  0.929453  0.858423  0.358169  1
  Sm  Sm90  1  0.262134  0.524299  0.357832  1
  Sm  Sm91  1  0.756369  0.306155  0.390798  1
  Sm  Sm92  1  0.434418  0.220121  0.340897  1
  Sm  Sm93  1  0.429930  0.360097  0.357373  1
  Sm  Sm94  1  0.754662  0.807661  0.390068  1
  Sm  Sm95  1  0.762603  0.027559  0.357168  1
  Sm  Sm96  1  0.760168  0.165571  0.375430  1
  Sm  Sm97  1  0.101009  0.052600  0.340877  1
  Sm  Sm98  1  0.096368  0.193031  0.357219  1
  Sm  Sm99  1  0.093744  0.331458  0.375515  1
  Sm  Sm100  1  0.421961  0.639646  0.391353  1
  Sm  Sm101  1  0.430664  0.860951  0.357929  1
  Sm  Sm102  1  0.425460  -0.002023  0.375580  1
  Sm  Sm103  1  0.764399  0.528372  0.357783  1
  Sm  Sm104  1  0.759055  0.666018  0.375272  1
  Sm  Sm105  1  0.089699  0.472418  0.391311  1
  Sm  Sm106  1  0.097338  0.694362  0.358229  1
  Sm  Sm107  1  0.092092  0.831663  0.375908  1
  Sm  Sm108  1  0.426683  0.498492  0.375754  1
  Sm  Sm109  1  0.848181  0.283395  0.353549  1
  Sm  Sm110  1  0.515017  0.116416  0.353572  1
  Sm  Sm111  1  0.510973  0.257725  0.370569  1
  Sm  Sm112  1  0.845901  0.783753  0.354854  1
  Sm  Sm113  1  0.844239  0.923409  0.372285  1
  Sm  Sm114  1  0.850019  0.142604  0.337713  1
  Sm  Sm115  1  0.179492  0.949235  0.355273  1
  Sm  Sm116  1  0.176782  0.090737  0.370912  1
  Sm  Sm117  1  0.183161  0.309153  0.337710  1
  Sm  Sm118  1  0.512682  0.615709  0.355221  1
  Sm  Sm119  1  0.511695  0.756627  0.372163  1
  Sm  Sm120  1  0.515941  0.976082  0.337920  1
  Sm  Sm121  1  0.845469  0.423791  0.371843  1
  Sm  Sm122  1  0.849443  0.644066  0.337932  1
  Sm  Sm123  1  0.181079  0.449837  0.353826  1
  Sm  Sm124  1  0.178375  0.590220  0.372207  1
  Sm  Sm125  1  0.182551  0.810355  0.338137  1
  Sm  Sm126  1  0.516100  0.476722  0.337869  1
  Sm  Sm127  1  0.675980  0.410581  0.375537  1
  Sm  Sm128  1  0.342372  0.243408  0.376302  1
  Sm  Sm129  1  0.339577  0.381027  0.394976  1
  Sm  Sm130  1  0.676099  0.912362  0.374242  1
  Sm  Sm131  1  0.672735  0.048062  0.394222  1
  Sm  Sm132  1  0.679596  0.267912  0.359925  1
  Sm  Sm133  1  0.008899  0.077266  0.375915  1
  Sm  Sm134  1  0.006351  0.214416  0.394572  1
  Sm  Sm135  1  0.013044  0.434564  0.360227  1
  Sm  Sm136  1  0.342333  0.743917  0.375594  1
  Sm  Sm137  1  0.339047  0.882574  0.393259  1
  Sm  Sm138  1  0.346050  0.102786  0.359231  1
  Sm  Sm139  1  0.672545  0.549469  0.393184  1
  Sm  Sm140  1  0.678337  0.767753  0.359692  1
  Sm  Sm141  1  0.009193  0.577041  0.375724  1
  Sm  Sm142  1  0.005694  0.715909  0.393460  1
  Sm  Sm143  1  0.012209  0.936539  0.359343  1
  Sm  Sm144  1  0.345587  0.601266  0.360400  1
  Sm  Sm145  1  0.582820  0.251390  0.428799  1
  Sm  Sm146  1  0.249497  0.083759  0.429239  1
  Sm  Sm147  1  0.256512  0.303550  0.394484  1
  Sm  Sm148  1  0.583336  0.750893  0.429199  1
  Sm  Sm149  1  0.588795  0.970029  0.394802  1
  Sm  Sm150  1  0.585667  0.110257  0.412046  1
  Sm  Sm151  1  0.916620  0.917151  0.429577  1
  Sm  Sm152  1  0.922905  0.136821  0.394551  1
  Sm  Sm153  1  0.919207  0.277154  0.412346  1
  Sm  Sm154  1  0.249761  0.584831  0.429283  1
  Sm  Sm155  1  0.245755  0.723431  0.447604  1
  Sm  Sm156  1  0.252292  0.943275  0.411783  1
  Sm  Sm157  1  0.579176  0.389979  0.447618  1
  Sm  Sm158  1  0.585301  0.609756  0.412184  1
  Sm  Sm159  1  0.916589  0.418078  0.429151  1
  Sm  Sm160  1  0.912669  0.556582  0.447544  1
  Sm  Sm161  1  0.918825  0.776828  0.411896  1
  Sm  Sm162  1  0.252455  0.443881  0.412428  1
  Sm  Sm163  1  0.745197  0.224250  0.446686  1
  Sm  Sm164  1  0.422513  0.137460  0.392468  1
  Sm  Sm165  1  0.419825  0.277388  0.412378  1
  Sm  Sm166  1  0.745081  0.724710  0.446662  1
  Sm  Sm167  1  0.753400  0.943847  0.411748  1
  Sm  Sm168  1  0.749295  0.083290  0.430032  1
  Sm  Sm169  1  0.088317  0.971108  0.392966  1
  Sm  Sm170  1  0.086502  0.110664  0.412704  1
  Sm  Sm171  1  0.082765  0.249748  0.430470  1
  Sm  Sm172  1  0.411554  0.557561  0.447324  1
  Sm  Sm173  1  0.419158  0.777517  0.411138  1
  Sm  Sm174  1  0.416235  0.915855  0.430992  1
  Sm  Sm175  1  0.752662  0.444578  0.410664  1
  Sm  Sm176  1  0.749769  0.583371  0.430489  1
  Sm  Sm177  1  0.078690  0.390661  0.447039  1
  Sm  Sm178  1  0.085866  0.610748  0.411317  1
  Sm  Sm179  1  0.082843  0.749304  0.431105  1
  Sm  Sm180  1  0.416014  0.416716  0.430464  1
  Sm  Sm181  1  0.836951  0.203049  0.408318  1
  Sm  Sm182  1  0.503080  0.036042  0.408414  1
  Sm  Sm183  1  0.499594  0.175867  0.425555  1
  Sm  Sm184  1  0.836028  0.703190  0.408747  1
  Sm  Sm185  1  0.832902  0.841896  0.426379  1
  Sm  Sm186  1  0.840290  0.062082  0.390287  1
  Sm  Sm187  1  0.169401  0.868864  0.409353  1
  Sm  Sm188  1  0.166149  0.008955  0.426063  1
  Sm  Sm189  1  0.173699  0.228315  0.390486  1
  Sm  Sm190  1  0.502817  0.535649  0.409221  1
  Sm  Sm191  1  0.499440  0.675498  0.426349  1
  Sm  Sm192  1  0.507278  0.895121  0.390630  1
  Sm  Sm193  1  0.833062  0.342529  0.425783  1
  Sm  Sm194  1  0.841219  0.562673  0.390097  1
  Sm  Sm195  1  0.170350  0.369251  0.408496  1
  Sm  Sm196  1  0.166282  0.508887  0.426154  1
  Sm  Sm197  1  0.174200  0.729006  0.390467  1
  Sm  Sm198  1  0.507502  0.395150  0.390271  1
  Sm  Sm199  1  0.665535  0.326835  0.431494  1
  Sm  Sm200  1  0.331948  0.159465  0.432238  1
  Sm  Sm201  1  0.328592  0.298440  0.450994  1
  Sm  Sm202  1  0.665313  0.827231  0.431399  1
  Sm  Sm203  1  0.661872  0.965431  0.450398  1
  Sm  Sm204  1  0.668800  0.185613  0.413292  1
  Sm  Sm205  1  0.998312  0.993073  0.432270  1
  Sm  Sm206  1  0.995240  0.131865  0.450848  1
  Sm  Sm207  1  1.002502  0.351996  0.413698  1
  Sm  Sm208  1  0.331915  0.660176  0.431740  1
  Sm  Sm209  1  0.328362  0.799335  0.450042  1
  Sm  Sm210  1  0.335717  0.018839  0.413498  1
  Sm  Sm211  1  0.661868  0.466042  0.449940  1
  Sm  Sm212  1  0.669176  0.685479  0.413581  1
  Sm  Sm213  1  0.998888  0.493374  0.431624  1
  Sm  Sm214  1  0.995119  0.632537  0.450135  1
  Sm  Sm215  1  1.002447  0.852197  0.413760  1
  Sm  Sm216  1  0.335467  0.518794  0.413977  1
  Sm  Sm217  1  0.571391  0.169579  0.483988  1
  Sm  Sm218  1  0.238036  0.002512  0.484317  1
  Sm  Sm219  1  0.245603  0.222612  0.448432  1
  Sm  Sm220  1  0.571566  0.669189  0.484407  1
  Sm  Sm221  1  0.578641  0.888880  0.448596  1
  Sm  Sm222  1  0.575145  0.029085  0.466567  1
  Sm  Sm223  1  0.904886  0.835774  0.484633  1
  Sm  Sm224  1  0.912048  0.056065  0.448520  1
  Sm  Sm225  1  0.908514  0.195671  0.466688  1
  Sm  Sm226  1  0.238291  0.502761  0.484404  1
  Sm  Sm227  1  0.234560  0.642375  0.502420  1
  Sm  Sm228  1  0.241683  0.862589  0.466324  1
  Sm  Sm229  1  0.567807  0.308919  0.502365  1
  Sm  Sm230  1  0.575067  0.528969  0.466510  1
  Sm  Sm231  1  0.905066  0.336065  0.484265  1
  Sm  Sm232  1  0.901187  0.475536  0.502320  1
  Sm  Sm233  1  0.908447  0.695934  0.466226  1
  Sm  Sm234  1  0.241863  0.362292  0.466715  1
  Sm  Sm235  1  0.734505  0.142327  0.502209  1
  Sm  Sm236  1  0.411885  0.056553  0.447393  1
  Sm  Sm237  1  0.408622  0.195712  0.466215  1
  Sm  Sm238  1  0.734529  0.642389  0.502107  1
  Sm  Sm239  1  0.742089  0.862680  0.465613  1
  Sm  Sm240  1  0.738264  0.002424  0.484523  1
  Sm  Sm241  1  0.078199  0.889955  0.447847  1
  Sm  Sm242  1  0.075154  0.029003  0.466556  1
  Sm  Sm243  1  0.071640  0.168914  0.485194  1
  Sm  Sm244  1  0.401171  0.475530  0.502695  1
  Sm  Sm245  1  0.408596  0.696381  0.465750  1
  Sm  Sm246  1  0.404868  0.834857  0.485207  1
  Sm  Sm247  1  0.742159  0.363226  0.465124  1
  Sm  Sm248  1  0.738345  0.502300  0.484431  1
  Sm  Sm249  1  0.067951  0.308863  0.502531  1
  Sm  Sm250  1  0.075392  0.529507  0.465814  1
  Sm  Sm251  1  0.071511  0.668405  0.485219  1
  Sm  Sm252  1  0.404869  0.335841  0.485031  1
  Sm  Sm253  1  0.825664  0.121624  0.462922  1
  Sm  Sm254  1  0.492683  0.954590  0.463154  1
  Sm  Sm255  1  0.488820  0.094109  0.481213  1
  Sm  Sm256  1  0.825987  0.621700  0.462843  1
  Sm  Sm257  1  0.822344  0.760637  0.481664  1
  Sm  Sm258  1  0.829668  0.981550  0.444744  1
  Sm  Sm259  1  0.159164  0.787757  0.463438  1
  Sm  Sm260  1  0.155345  0.927270  0.481675  1
  Sm  Sm261  1  0.163094  0.148042  0.444941  1
  Sm  Sm262  1  0.492387  0.454666  0.463243  1
  Sm  Sm263  1  0.488845  0.594084  0.481777  1
  Sm  Sm264  1  0.495821  0.814265  0.444891  1
  Sm  Sm265  1  0.822279  0.261050  0.481161  1
  Sm  Sm266  1  0.829348  0.481806  0.444310  1
  Sm  Sm267  1  0.159138  0.288062  0.463203  1
  Sm  Sm268  1  0.155589  0.427460  0.481511  1
  Sm  Sm269  1  0.162516  0.648143  0.444781  1
  Sm  Sm270  1  0.496202  0.315035  0.444671  1
  Sm  Sm271  1  0.654248  0.244403  0.486714  1
  Sm  Sm272  1  0.320952  0.077126  0.487159  1
  Sm  Sm273  1  0.317320  0.216730  0.506185  1
  Sm  Sm274  1  0.654413  0.744356  0.486961  1
  Sm  Sm275  1  0.650652  0.883887  0.505592  1
  Sm  Sm276  1  0.657918  0.104686  0.468487  1
  Sm  Sm277  1  0.987618  0.910536  0.487555  1
  Sm  Sm278  1  0.983794  0.050264  0.506089  1
  Sm  Sm279  1  0.991430  0.271063  0.468856  1
  Sm  Sm280  1  0.320990  0.577633  0.487333  1
  Sm  Sm281  1  0.317381  0.717455  0.505438  1
  Sm  Sm282  1  0.324582  0.937741  0.468520  1
  Sm  Sm283  1  0.650823  0.384079  0.505419  1
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  Sm  Sm575  1  0.949605  0.447319  0.689928  1
  Sm  Sm576  1  0.280739  0.111811  0.689902  1
