# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.40322782
_cell_length_b   79.27761576
_cell_length_c   47.32661304
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.37484284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm594
_cell_volume   46384.6376671
_cell_formula_units_Z   594
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  0.870383  0.871813  0.292426  1
  Sm  Sm2  1  0.370383  0.871813  0.292426  1
  Sm  Sm3  1  0.922435  0.211151  0.271104  1
  Sm  Sm4  1  0.955976  0.546376  0.274431  1
  Sm  Sm5  1  0.422435  0.211151  0.271104  1
  Sm  Sm6  1  0.455976  0.546376  0.274431  1
  Sm  Sm7  1  0.551553  0.909782  0.298800  1
  Sm  Sm8  1  0.051553  0.909782  0.298800  1
  Sm  Sm9  1  0.606457  0.247783  0.279488  1
  Sm  Sm10  1  0.652973  0.581633  0.275161  1
  Sm  Sm11  1  0.106457  0.247783  0.279488  1
  Sm  Sm12  1  0.152973  0.581633  0.275161  1
  Sm  Sm13  1  0.742320  0.947053  0.302318  1
  Sm  Sm14  1  0.242320  0.947053  0.302318  1
  Sm  Sm15  1  0.778503  0.286398  0.287819  1
  Sm  Sm16  1  0.906556  0.616716  0.273635  1
  Sm  Sm17  1  0.278503  0.286398  0.287819  1
  Sm  Sm18  1  0.406556  0.616716  0.273635  1
  Sm  Sm19  1  0.090430  0.654274  0.281940  1
  Sm  Sm20  1  0.590430  0.654274  0.281940  1
  Sm  Sm21  1  0.985356  0.984338  0.305514  1
  Sm  Sm22  1  0.977536  0.321609  0.290195  1
  Sm  Sm23  1  0.485356  0.984338  0.305514  1
  Sm  Sm24  1  0.477536  0.321609  0.290195  1
  Sm  Sm25  1  0.787604  0.689817  0.283229  1
  Sm  Sm26  1  0.287604  0.689817  0.283229  1
  Sm  Sm27  1  0.026636  0.028694  0.274154  1
  Sm  Sm28  1  0.738278  0.356679  0.288081  1
  Sm  Sm29  1  0.526636  0.028694  0.274154  1
  Sm  Sm30  1  0.238278  0.356679  0.288081  1
  Sm  Sm31  1  0.544404  0.725272  0.280086  1
  Sm  Sm32  1  0.044404  0.725272  0.280086  1
  Sm  Sm33  1  0.781438  0.057111  0.275301  1
  Sm  Sm34  1  0.511520  0.394539  0.279999  1
  Sm  Sm35  1  0.281438  0.057111  0.275301  1
  Sm  Sm36  1  1.011520  0.394539  0.279999  1
  Sm  Sm37  1  0.729346  0.762859  0.287762  1
  Sm  Sm38  1  0.229346  0.762859  0.287762  1
  Sm  Sm39  1  0.995644  0.087478  0.272085  1
  Sm  Sm40  1  0.693718  0.432463  0.288427  1
  Sm  Sm41  1  0.495644  0.087478  0.272085  1
  Sm  Sm42  1  0.193718  0.432463  0.288427  1
  Sm  Sm43  1  0.926549  0.798507  0.288655  1
  Sm  Sm44  1  0.426549  0.798507  0.288655  1
  Sm  Sm45  1  0.119299  0.131768  0.262470  1
  Sm  Sm46  1  0.875991  0.469234  0.296900  1
  Sm  Sm47  1  0.619299  0.131768  0.262470  1
  Sm  Sm48  1  0.375991  0.469234  0.296900  1
  Sm  Sm49  1  0.684476  0.834189  0.284821  1
  Sm  Sm50  1  0.184476  0.834189  0.284821  1
  Sm  Sm51  1  0.797438  0.168718  0.262458  1
  Sm  Sm52  1  0.766962  0.510306  0.267628  1
  Sm  Sm53  1  0.297438  0.168718  0.262458  1
  Sm  Sm54  1  0.266962  0.510306  0.267628  1
  Sm  Sm55  1  0.630642  0.870730  0.334581  1
  Sm  Sm56  1  0.130642  0.870730  0.334581  1
  Sm  Sm57  1  0.690483  0.208382  0.311702  1
  Sm  Sm58  1  0.712072  0.545351  0.317873  1
  Sm  Sm59  1  0.190483  0.208382  0.311702  1
  Sm  Sm60  1  0.212072  0.545351  0.317873  1
  Sm  Sm61  1  0.307698  0.908724  0.341301  1
  Sm  Sm62  1  0.807698  0.908724  0.341301  1
  Sm  Sm63  1  0.362996  0.246769  0.321234  1
  Sm  Sm64  1  0.397579  0.581518  0.322696  1
  Sm  Sm65  1  0.862996  0.246769  0.321234  1
  Sm  Sm66  1  0.897579  0.581518  0.322696  1
  Sm  Sm67  1  0.488822  0.946008  0.347012  1
  Sm  Sm68  1  0.988822  0.946008  0.347012  1
  Sm  Sm69  1  0.535077  0.284381  0.330327  1
  Sm  Sm70  1  0.671562  0.616427  0.317232  1
  Sm  Sm71  1  0.035077  0.284381  0.330327  1
  Sm  Sm72  1  0.171562  0.616427  0.317232  1
  Sm  Sm73  1  0.849525  0.653305  0.324598  1
  Sm  Sm74  1  0.349525  0.653305  0.324598  1
  Sm  Sm75  1  0.718810  0.982674  0.350485  1
  Sm  Sm76  1  0.719029  0.321286  0.336867  1
  Sm  Sm77  1  0.218810  0.982674  0.350485  1
  Sm  Sm78  1  0.219029  0.321286  0.336867  1
  Sm  Sm79  1  0.534556  0.690165  0.329688  1
  Sm  Sm80  1  0.034556  0.690165  0.329688  1
  Sm  Sm81  1  0.773360  0.020018  0.317225  1
  Sm  Sm82  1  0.495758  0.358191  0.331199  1
  Sm  Sm83  1  0.273360  0.020018  0.317225  1
  Sm  Sm84  1  0.995758  0.358191  0.331199  1
  Sm  Sm85  1  0.310060  0.725264  0.323578  1
  Sm  Sm86  1  0.810060  0.725264  0.323578  1
  Sm  Sm87  1  0.556833  0.058112  0.326159  1
  Sm  Sm88  1  0.278918  0.394628  0.322571  1
  Sm  Sm89  1  0.056833  0.058112  0.326159  1
  Sm  Sm90  1  0.778918  0.394628  0.322571  1
  Sm  Sm91  1  0.488522  0.762133  0.330490  1
  Sm  Sm92  1  0.988522  0.762133  0.330490  1
  Sm  Sm93  1  0.733060  0.094985  0.314134  1
  Sm  Sm94  1  0.457978  0.430961  0.330874  1
  Sm  Sm95  1  0.233060  0.094985  0.314134  1
  Sm  Sm96  1  0.957978  0.430961  0.330874  1
  Sm  Sm97  1  0.673908  0.799048  0.334896  1
  Sm  Sm98  1  0.173908  0.799048  0.334896  1
  Sm  Sm99  1  0.884918  0.131256  0.303240  1
  Sm  Sm100  1  0.635319  0.469257  0.338255  1
  Sm  Sm101  1  0.384918  0.131256  0.303240  1
  Sm  Sm102  1  0.135319  0.469257  0.338255  1
  Sm  Sm103  1  0.450107  0.834096  0.328286  1
  Sm  Sm104  1  0.950107  0.834096  0.328286  1
  Sm  Sm105  1  0.541075  0.170793  0.302768  1
  Sm  Sm106  1  0.536951  0.507103  0.308458  1
  Sm  Sm107  1  0.041075  0.170793  0.302768  1
  Sm  Sm108  1  0.036951  0.507103  0.308458  1
  Sm  Sm109  1  0.397898  0.871357  0.375453  1
  Sm  Sm110  1  0.897898  0.871357  0.375453  1
  Sm  Sm111  1  0.458904  0.209166  0.352132  1
  Sm  Sm112  1  0.476889  0.544510  0.358259  1
  Sm  Sm113  1  0.958904  0.209166  0.352132  1
  Sm  Sm114  1  0.976889  0.544510  0.358259  1
  Sm  Sm115  1  0.072186  0.909145  0.382522  1
  Sm  Sm116  1  0.572186  0.909145  0.382522  1
  Sm  Sm117  1  0.130085  0.246535  0.361468  1
  Sm  Sm118  1  0.155521  0.581468  0.364886  1
  Sm  Sm119  1  0.630085  0.246535  0.361468  1
  Sm  Sm120  1  0.655521  0.581468  0.364886  1
  Sm  Sm121  1  0.246731  0.946513  0.389261  1
  Sm  Sm122  1  0.746731  0.946513  0.389261  1
  Sm  Sm123  1  0.299461  0.284256  0.371429  1
  Sm  Sm124  1  0.442367  0.617117  0.357286  1
  Sm  Sm125  1  0.799461  0.284256  0.371429  1
  Sm  Sm126  1  0.942367  0.617117  0.357286  1
  Sm  Sm127  1  0.616292  0.653557  0.365727  1
  Sm  Sm128  1  0.116292  0.653557  0.365727  1
  Sm  Sm129  1  0.449103  0.984438  0.391279  1
  Sm  Sm130  1  0.476308  0.321235  0.378494  1
  Sm  Sm131  1  0.949103  0.984438  0.391279  1
  Sm  Sm132  1  0.976308  0.321235  0.378494  1
  Sm  Sm133  1  0.294242  0.690526  0.371811  1
  Sm  Sm134  1  0.794242  0.690526  0.371811  1
  Sm  Sm135  1  0.513445  0.020094  0.358027  1
  Sm  Sm136  1  0.261280  0.358389  0.372248  1
  Sm  Sm137  1  1.013445  0.020094  0.358027  1
  Sm  Sm138  1  0.761280  0.358389  0.372248  1
  Sm  Sm139  1  0.081193  0.726009  0.363501  1
  Sm  Sm140  1  0.581193  0.726009  0.363501  1
  Sm  Sm141  1  0.302702  0.058157  0.362957  1
  Sm  Sm142  1  0.053252  0.395028  0.362270  1
  Sm  Sm143  1  0.802702  0.058157  0.362957  1
  Sm  Sm144  1  0.553252  0.395028  0.362270  1
  Sm  Sm145  1  0.255020  0.762587  0.371597  1
  Sm  Sm146  1  0.755020  0.762587  0.371597  1
  Sm  Sm147  1  0.471855  0.096126  0.355312  1
  Sm  Sm148  1  0.227399  0.432009  0.371081  1
  Sm  Sm149  1  0.971855  0.096126  0.355312  1
  Sm  Sm150  1  0.727399  0.432009  0.371081  1
  Sm  Sm151  1  0.433673  0.799541  0.377126  1
  Sm  Sm152  1  0.933673  0.799541  0.377126  1
  Sm  Sm153  1  0.634752  0.133517  0.343961  1
  Sm  Sm154  1  0.402988  0.469705  0.379425  1
  Sm  Sm155  1  0.134752  0.133517  0.343961  1
  Sm  Sm156  1  0.902988  0.469705  0.379425  1
  Sm  Sm157  1  0.221263  0.834862  0.368402  1
  Sm  Sm158  1  0.721263  0.834862  0.368402  1
  Sm  Sm159  1  0.300229  0.171613  0.342669  1
  Sm  Sm160  1  0.305777  0.506642  0.348137  1
  Sm  Sm161  1  0.800229  0.171613  0.342669  1
  Sm  Sm162  1  0.805777  0.506642  0.348137  1
  Sm  Sm163  1  0.165939  0.872234  0.415409  1
  Sm  Sm164  1  0.665939  0.872234  0.415409  1
  Sm  Sm165  1  0.224630  0.209280  0.392309  1
  Sm  Sm166  1  0.246200  0.545012  0.397780  1
  Sm  Sm167  1  0.724630  0.209280  0.392309  1
  Sm  Sm168  1  0.746200  0.545012  0.397780  1
  Sm  Sm169  1  0.839862  0.910038  0.422230  1
  Sm  Sm170  1  0.339862  0.910038  0.422230  1
  Sm  Sm171  1  0.897148  0.246753  0.401352  1
  Sm  Sm172  1  0.921474  0.581777  0.405735  1
  Sm  Sm173  1  0.397148  0.246753  0.401352  1
  Sm  Sm174  1  0.421474  0.581777  0.405735  1
  Sm  Sm175  1  1.011240  0.947796  0.429213  1
  Sm  Sm176  1  0.511240  0.947796  0.429213  1
  Sm  Sm177  1  0.066818  0.284529  0.410886  1
  Sm  Sm178  1  0.213857  0.617148  0.396861  1
  Sm  Sm179  1  0.566818  0.284529  0.410886  1
  Sm  Sm180  1  0.713857  0.617148  0.396861  1
  Sm  Sm181  1  0.385108  0.654280  0.405419  1
  Sm  Sm182  1  0.885108  0.654280  0.405419  1
  Sm  Sm183  1  0.191857  0.985527  0.432936  1
  Sm  Sm184  1  0.240962  0.321306  0.419446  1
  Sm  Sm185  1  0.691857  0.985527  0.432936  1
  Sm  Sm186  1  0.740962  0.321306  0.419446  1
  Sm  Sm187  1  0.060452  0.691049  0.412707  1
  Sm  Sm188  1  0.560452  0.691049  0.412707  1
  Sm  Sm189  1  0.243597  0.022515  0.397442  1
  Sm  Sm190  1  0.029690  0.358180  0.411708  1
  Sm  Sm191  1  0.743597  0.022515  0.397442  1
  Sm  Sm192  1  0.529690  0.358180  0.411708  1
  Sm  Sm193  1  0.852539  0.726337  0.403255  1
  Sm  Sm194  1  0.352539  0.726337  0.403255  1
  Sm  Sm195  1  0.035623  0.059214  0.404845  1
  Sm  Sm196  1  0.823880  0.395262  0.402208  1
  Sm  Sm197  1  0.535623  0.059214  0.404845  1
  Sm  Sm198  1  0.323880  0.395262  0.402208  1
  Sm  Sm199  1  0.023836  0.763438  0.411312  1
  Sm  Sm200  1  0.523836  0.763438  0.411312  1
  Sm  Sm201  1  0.208675  0.095498  0.394185  1
  Sm  Sm202  1  0.996324  0.432059  0.411287  1
  Sm  Sm203  1  0.708675  0.095498  0.394185  1
  Sm  Sm204  1  0.496324  0.432059  0.411287  1
  Sm  Sm205  1  0.199573  0.800235  0.418054  1
  Sm  Sm206  1  0.699573  0.800235  0.418054  1
  Sm  Sm207  1  0.374947  0.133672  0.383327  1
  Sm  Sm208  1  0.169853  0.469845  0.419918  1
  Sm  Sm209  1  0.874947  0.133672  0.383327  1
  Sm  Sm210  1  0.669853  0.469845  0.419918  1
  Sm  Sm211  1  0.992044  0.835415  0.408198  1
  Sm  Sm212  1  0.492044  0.835415  0.408198  1
  Sm  Sm213  1  0.058352  0.171837  0.382734  1
  Sm  Sm214  1  0.075375  0.507237  0.388693  1
  Sm  Sm215  1  0.558352  0.171837  0.382734  1
  Sm  Sm216  1  0.575375  0.507237  0.388693  1
  Sm  Sm217  1  0.933586  0.872996  0.455915  1
  Sm  Sm218  1  0.433586  0.872996  0.455915  1
  Sm  Sm219  1  0.989183  0.209107  0.433061  1
  Sm  Sm220  1  1.014983  0.545278  0.438234  1
  Sm  Sm221  1  0.489183  0.209107  0.433061  1
  Sm  Sm222  1  0.514983  0.545278  0.438234  1
  Sm  Sm223  1  0.606652  0.910988  0.462686  1
  Sm  Sm224  1  0.106652  0.910988  0.462686  1
  Sm  Sm225  1  0.662879  0.246784  0.442074  1
  Sm  Sm226  1  0.688776  0.582071  0.446444  1
  Sm  Sm227  1  0.162879  0.246784  0.442074  1
  Sm  Sm228  1  0.188776  0.582071  0.446444  1
  Sm  Sm229  1  0.777468  0.948731  0.469449  1
  Sm  Sm230  1  0.277468  0.948731  0.469449  1
  Sm  Sm231  1  0.834275  0.284519  0.451445  1
  Sm  Sm232  1  0.982249  0.617561  0.437439  1
  Sm  Sm233  1  0.334275  0.284519  0.451445  1
  Sm  Sm234  1  0.482249  0.617561  0.437439  1
  Sm  Sm235  1  0.154475  0.654538  0.445790  1
  Sm  Sm236  1  0.654475  0.654538  0.445790  1
  Sm  Sm237  1  0.946143  0.986303  0.474781  1
  Sm  Sm238  1  1.007051  0.321336  0.460197  1
  Sm  Sm239  1  0.446143  0.986303  0.474781  1
  Sm  Sm240  1  0.507051  0.321336  0.460197  1
  Sm  Sm241  1  0.827776  0.691551  0.453503  1
  Sm  Sm242  1  0.327776  0.691551  0.453503  1
  Sm  Sm243  1  0.975726  0.023215  0.437736  1
  Sm  Sm244  1  0.798310  0.358312  0.452080  1
  Sm  Sm245  1  0.475726  0.023215  0.437736  1
  Sm  Sm246  1  0.298310  0.358312  0.452080  1
  Sm  Sm247  1  0.620902  0.726941  0.443857  1
  Sm  Sm248  1  0.120902  0.726941  0.443857  1
  Sm  Sm249  1  0.771921  0.059978  0.445224  1
  Sm  Sm250  1  0.591648  0.395200  0.443009  1
  Sm  Sm251  1  0.271921  0.059978  0.445224  1
  Sm  Sm252  1  0.091648  0.395200  0.443009  1
  Sm  Sm253  1  0.793094  0.763925  0.451694  1
  Sm  Sm254  1  0.293094  0.763925  0.451694  1
  Sm  Sm255  1  0.944102  0.096807  0.435298  1
  Sm  Sm256  1  0.764503  0.432092  0.451757  1
  Sm  Sm257  1  0.444102  0.096807  0.435298  1
  Sm  Sm258  1  0.264503  0.432092  0.451757  1
  Sm  Sm259  1  0.966701  0.800939  0.458880  1
  Sm  Sm260  1  0.466701  0.800939  0.458880  1
  Sm  Sm261  1  0.115157  0.133749  0.424336  1
  Sm  Sm262  1  0.937405  0.469924  0.460748  1
  Sm  Sm263  1  0.615157  0.133749  0.424336  1
  Sm  Sm264  1  0.437405  0.469924  0.460748  1
  Sm  Sm265  1  0.760125  0.836162  0.448900  1
  Sm  Sm266  1  0.260125  0.836162  0.448900  1
  Sm  Sm267  1  0.817715  0.171826  0.423519  1
  Sm  Sm268  1  0.842960  0.507450  0.429188  1
  Sm  Sm269  1  0.317715  0.171826  0.423519  1
  Sm  Sm270  1  0.342960  0.507450  0.429188  1
  Sm  Sm271  1  0.700555  0.873761  0.496416  1
  Sm  Sm272  1  0.200555  0.873761  0.496416  1
  Sm  Sm273  1  0.754385  0.209028  0.473739  1
  Sm  Sm274  1  0.783143  0.545521  0.478705  1
  Sm  Sm275  1  0.254385  0.209028  0.473739  1
  Sm  Sm276  1  0.283143  0.545521  0.478705  1
  Sm  Sm277  1  0.372644  0.911832  0.503109  1
  Sm  Sm278  1  0.872644  0.911832  0.503109  1
  Sm  Sm279  1  0.428570  0.246718  0.482646  1
  Sm  Sm280  1  0.456772  0.582342  0.487123  1
  Sm  Sm281  1  0.928570  0.246718  0.482646  1
  Sm  Sm282  1  0.956772  0.582342  0.487123  1
  Sm  Sm283  1  0.544132  0.949811  0.509495  1
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  Sm  Sm576  1  0.661480  0.394321  0.693164  1
  Sm  Sm577  1  0.394581  0.766514  0.695443  1
  Sm  Sm578  1  0.894581  0.766514  0.695443  1
  Sm  Sm579  1  0.382124  0.109394  0.686033  1
  Sm  Sm580  1  0.357353  0.430445  0.695841  1
  Sm  Sm581  1  0.882124  0.109394  0.686033  1
  Sm  Sm582  1  0.857353  0.430445  0.695841  1
  Sm  Sm583  1  0.576080  0.804596  0.703093  1
  Sm  Sm584  1  0.076080  0.804596  0.703093  1
  Sm  Sm585  1  0.602763  0.141895  0.680871  1
  Sm  Sm586  1  0.545694  0.466663  0.703270  1
  Sm  Sm587  1  0.102763  0.141895  0.680871  1
  Sm  Sm588  1  0.045694  0.466663  0.703270  1
  Sm  Sm589  1  0.332016  0.840967  0.699248  1
  Sm  Sm590  1  0.832016  0.840967  0.699248  1
  Sm  Sm591  1  0.351953  0.169687  0.679536  1
  Sm  Sm592  1  0.439473  0.508220  0.673899  1
  Sm  Sm593  1  0.851953  0.169687  0.679536  1
  Sm  Sm594  1  0.939473  0.508220  0.673899  1
