# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.92695179
_cell_length_b   18.55609082
_cell_length_c   46.87539660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.79795004
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm264
_cell_volume   21164.5108568
_cell_formula_units_Z   264
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  0.365642  0.644304  0.302198  1
  Sm  Sm2  1  0.855289  0.582250  0.319936  1
  Sm  Sm3  1  0.370246  0.310613  0.301482  1
  Sm  Sm4  1  0.906036  0.385618  0.282989  1
  Sm  Sm5  1  0.368857  0.978108  0.301683  1
  Sm  Sm6  1  0.907096  0.048956  0.283434  1
  Sm  Sm7  1  0.618064  0.686239  0.290349  1
  Sm  Sm8  1  0.104506  0.625728  0.309732  1
  Sm  Sm9  1  0.617621  0.353047  0.289871  1
  Sm  Sm10  1  0.090135  0.298354  0.306740  1
  Sm  Sm11  1  0.617777  0.019448  0.290171  1
  Sm  Sm12  1  0.088456  0.965734  0.306662  1
  Sm  Sm13  1  0.746272  0.492341  0.296069  1
  Sm  Sm14  1  0.225751  0.430265  0.315869  1
  Sm  Sm15  1  0.746674  0.158882  0.296061  1
  Sm  Sm16  1  0.223366  0.099473  0.315658  1
  Sm  Sm17  1  0.743860  0.828331  0.296998  1
  Sm  Sm18  1  0.221547  0.767476  0.315522  1
  Sm  Sm19  1  0.510212  0.878728  0.282222  1
  Sm  Sm20  1  0.993822  0.825979  0.298541  1
  Sm  Sm21  1  0.508446  0.546655  0.281950  1
  Sm  Sm22  1  0.995340  0.493762  0.298671  1
  Sm  Sm23  1  0.510872  0.212167  0.281966  1
  Sm  Sm24  1  0.992194  0.165260  0.298112  1
  Sm  Sm25  1  0.340925  0.500005  0.341486  1
  Sm  Sm26  1  0.833773  0.432382  0.360851  1
  Sm  Sm27  1  0.336803  0.171020  0.340732  1
  Sm  Sm28  1  0.854127  0.246518  0.320789  1
  Sm  Sm29  1  0.336355  0.837610  0.340681  1
  Sm  Sm30  1  0.854466  0.911699  0.320839  1
  Sm  Sm31  1  0.604782  0.537350  0.333064  1
  Sm  Sm32  1  0.090313  0.469272  0.353018  1
  Sm  Sm33  1  0.606042  0.204139  0.333395  1
  Sm  Sm34  1  0.090340  0.136113  0.352831  1
  Sm  Sm35  1  0.605756  0.870694  0.333499  1
  Sm  Sm36  1  0.091521  0.802978  0.353397  1
  Sm  Sm37  1  0.720974  0.350495  0.338457  1
  Sm  Sm38  1  0.206799  0.282145  0.356556  1
  Sm  Sm39  1  0.720721  0.017552  0.338971  1
  Sm  Sm40  1  0.206856  0.949621  0.356395  1
  Sm  Sm41  1  0.721348  0.683293  0.338624  1
  Sm  Sm42  1  0.211658  0.615641  0.357420  1
  Sm  Sm43  1  0.474586  0.731932  0.321826  1
  Sm  Sm44  1  0.967503  0.666886  0.340889  1
  Sm  Sm45  1  0.477235  0.398061  0.321955  1
  Sm  Sm46  1  0.968794  0.327465  0.347461  1
  Sm  Sm47  1  0.475630  0.065163  0.321917  1
  Sm  Sm48  1  0.969495  0.992175  0.347780  1
  Sm  Sm49  1  0.324735  0.355259  0.380509  1
  Sm  Sm50  1  0.818966  0.284686  0.400720  1
  Sm  Sm51  1  0.325996  0.021778  0.380230  1
  Sm  Sm52  1  0.834254  0.096591  0.360980  1
  Sm  Sm53  1  0.326854  0.688180  0.380234  1
  Sm  Sm54  1  0.832433  0.764089  0.362380  1
  Sm  Sm55  1  0.579927  0.394200  0.370751  1
  Sm  Sm56  1  0.073400  0.321211  0.392875  1
  Sm  Sm57  1  0.578430  0.061708  0.370392  1
  Sm  Sm58  1  0.074275  0.987091  0.393251  1
  Sm  Sm59  1  0.578583  0.727976  0.370329  1
  Sm  Sm60  1  0.071691  0.653300  0.392276  1
  Sm  Sm61  1  0.705341  0.209250  0.377464  1
  Sm  Sm62  1  0.195742  0.135243  0.397640  1
  Sm  Sm63  1  0.703645  0.877073  0.378011  1
  Sm  Sm64  1  0.196731  0.802095  0.398052  1
  Sm  Sm65  1  0.703942  0.542512  0.377294  1
  Sm  Sm66  1  0.194645  0.470341  0.396786  1
  Sm  Sm67  1  0.459740  0.579451  0.363375  1
  Sm  Sm68  1  0.950205  0.510173  0.382780  1
  Sm  Sm69  1  0.458981  0.246774  0.363412  1
  Sm  Sm70  1  0.949840  0.172752  0.383806  1
  Sm  Sm71  1  0.459044  0.912967  0.363382  1
  Sm  Sm72  1  0.949204  0.838843  0.383908  1
  Sm  Sm73  1  0.308247  0.210699  0.420473  1
  Sm  Sm74  1  0.798949  0.138831  0.440471  1
  Sm  Sm75  1  0.308334  0.877687  0.420335  1
  Sm  Sm76  1  0.818155  0.951804  0.401215  1
  Sm  Sm77  1  0.307796  0.544544  0.420631  1
  Sm  Sm78  1  0.817122  0.616516  0.401432  1
  Sm  Sm79  1  0.562695  0.248008  0.410602  1
  Sm  Sm80  1  0.052533  0.176483  0.430688  1
  Sm  Sm81  1  0.562703  0.914669  0.410751  1
  Sm  Sm82  1  0.052409  0.842394  0.430481  1
  Sm  Sm83  1  0.563048  0.581171  0.410802  1
  Sm  Sm84  1  0.054068  0.507486  0.431700  1
  Sm  Sm85  1  0.684269  0.065123  0.416335  1
  Sm  Sm86  1  0.176118  0.992037  0.436690  1
  Sm  Sm87  1  0.684427  0.731684  0.416235  1
  Sm  Sm88  1  0.175336  0.658770  0.436481  1
  Sm  Sm89  1  0.684839  0.397898  0.416297  1
  Sm  Sm90  1  0.176222  0.325195  0.436362  1
  Sm  Sm91  1  0.439825  0.432538  0.403108  1
  Sm  Sm92  1  0.931661  0.361116  0.424387  1
  Sm  Sm93  1  0.439383  0.099544  0.402822  1
  Sm  Sm94  1  0.931654  0.026734  0.424729  1
  Sm  Sm95  1  0.439668  0.766256  0.402891  1
  Sm  Sm96  1  0.932164  0.692393  0.423800  1
  Sm  Sm97  1  0.289751  0.065043  0.460183  1
  Sm  Sm98  1  0.780175  0.992627  0.479994  1
  Sm  Sm99  1  0.290045  0.731780  0.460338  1
  Sm  Sm100  1  0.799455  0.804822  0.440566  1
  Sm  Sm101  1  0.289552  0.398263  0.460113  1
  Sm  Sm102  1  0.798519  0.471305  0.440561  1
  Sm  Sm103  1  0.543241  0.101897  0.449548  1
  Sm  Sm104  1  0.035559  0.029384  0.470901  1
  Sm  Sm105  1  0.543461  0.768589  0.449662  1
  Sm  Sm106  1  0.035122  0.696036  0.470587  1
  Sm  Sm107  1  0.543509  0.435210  0.449668  1
  Sm  Sm108  1  0.035633  0.362114  0.471142  1
  Sm  Sm109  1  0.666087  0.918695  0.456669  1
  Sm  Sm110  1  0.156773  0.845920  0.476381  1
  Sm  Sm111  1  0.666274  0.585500  0.456351  1
  Sm  Sm112  1  0.157165  0.512881  0.476397  1
  Sm  Sm113  1  0.666056  0.252061  0.456292  1
  Sm  Sm114  1  0.156963  0.179251  0.476468  1
  Sm  Sm115  1  0.422165  0.285806  0.443317  1
  Sm  Sm116  1  0.912962  0.212931  0.463854  1
  Sm  Sm117  1  0.422117  0.952760  0.443263  1
  Sm  Sm118  1  0.912940  0.879283  0.463987  1
  Sm  Sm119  1  0.422197  0.619350  0.443185  1
  Sm  Sm120  1  0.913104  0.546247  0.463576  1
  Sm  Sm121  1  0.271216  0.919591  0.499840  1
  Sm  Sm122  1  0.761685  0.846383  0.519605  1
  Sm  Sm123  1  0.270883  0.586275  0.499753  1
  Sm  Sm124  1  0.779814  0.659369  0.480038  1
  Sm  Sm125  1  0.270922  0.252894  0.499832  1
  Sm  Sm126  1  0.780008  0.326012  0.479968  1
  Sm  Sm127  1  0.525308  0.955859  0.489610  1
  Sm  Sm128  1  0.016167  0.883328  0.509888  1
  Sm  Sm129  1  0.525507  0.622545  0.489511  1
  Sm  Sm130  1  0.016274  0.550026  0.510046  1
  Sm  Sm131  1  0.525409  0.289196  0.489580  1
  Sm  Sm132  1  0.016290  0.216614  0.509975  1
  Sm  Sm133  1  0.647038  0.772661  0.495909  1
  Sm  Sm134  1  0.138334  0.699714  0.516388  1
  Sm  Sm135  1  0.647212  0.439403  0.495729  1
  Sm  Sm136  1  0.138601  0.366588  0.516298  1
  Sm  Sm137  1  0.647188  0.105728  0.495660  1
  Sm  Sm138  1  0.138657  0.032962  0.516406  1
  Sm  Sm139  1  0.403205  0.139527  0.483305  1
  Sm  Sm140  1  0.894412  0.066601  0.503909  1
  Sm  Sm141  1  0.403509  0.806136  0.483278  1
  Sm  Sm142  1  0.894559  0.733057  0.503595  1
  Sm  Sm143  1  0.403406  0.472963  0.483122  1
  Sm  Sm144  1  0.894547  0.400121  0.503770  1
  Sm  Sm145  1  0.252026  0.774330  0.539246  1
  Sm  Sm146  1  0.742326  0.701293  0.559101  1
  Sm  Sm147  1  0.251867  0.440913  0.539256  1
  Sm  Sm148  1  0.761562  0.513138  0.519528  1
  Sm  Sm149  1  0.252430  0.107709  0.539564  1
  Sm  Sm150  1  0.761457  0.179741  0.519497  1
  Sm  Sm151  1  0.506549  0.810234  0.528946  1
  Sm  Sm152  1  0.998115  0.737343  0.549745  1
  Sm  Sm153  1  0.506696  0.476572  0.528921  1
  Sm  Sm154  1  0.998373  0.403985  0.550025  1
  Sm  Sm155  1  0.506222  0.143423  0.528710  1
  Sm  Sm156  1  0.998334  0.070611  0.549887  1
  Sm  Sm157  1  0.628633  0.626398  0.535691  1
  Sm  Sm158  1  0.119590  0.553230  0.556347  1
  Sm  Sm159  1  0.628731  0.293020  0.535472  1
  Sm  Sm160  1  0.119584  0.220162  0.556160  1
  Sm  Sm161  1  0.628530  0.959533  0.535913  1
  Sm  Sm162  1  0.119495  0.886730  0.556204  1
  Sm  Sm163  1  0.384624  0.993423  0.523198  1
  Sm  Sm164  1  0.875406  0.920269  0.543219  1
  Sm  Sm165  1  0.384792  0.659980  0.523168  1
  Sm  Sm166  1  0.875322  0.587143  0.542894  1
  Sm  Sm167  1  0.384951  0.326728  0.523127  1
  Sm  Sm168  1  0.875517  0.253763  0.542992  1
  Sm  Sm169  1  0.233675  0.628171  0.578926  1
  Sm  Sm170  1  0.724646  0.554878  0.598014  1
  Sm  Sm171  1  0.233366  0.295330  0.579214  1
  Sm  Sm172  1  0.742041  0.367390  0.559015  1
  Sm  Sm173  1  0.233737  0.961743  0.578794  1
  Sm  Sm174  1  0.742876  0.033840  0.559096  1
  Sm  Sm175  1  0.488112  0.665047  0.568287  1
  Sm  Sm176  1  0.978702  0.591410  0.588640  1
  Sm  Sm177  1  0.489425  0.329857  0.569024  1
  Sm  Sm178  1  0.979038  0.257817  0.588852  1
  Sm  Sm179  1  0.487959  0.997136  0.568417  1
  Sm  Sm180  1  0.978762  0.924574  0.588693  1
  Sm  Sm181  1  0.609697  0.480337  0.575418  1
  Sm  Sm182  1  0.102111  0.406416  0.596714  1
  Sm  Sm183  1  0.610184  0.145159  0.575053  1
  Sm  Sm184  1  0.101826  0.073425  0.596398  1
  Sm  Sm185  1  0.609699  0.812530  0.575697  1
  Sm  Sm186  1  0.101604  0.739855  0.596410  1
  Sm  Sm187  1  0.366442  0.847405  0.563304  1
  Sm  Sm188  1  0.856861  0.774414  0.583161  1
  Sm  Sm189  1  0.366481  0.513686  0.562924  1
  Sm  Sm190  1  0.857519  0.440560  0.583145  1
  Sm  Sm191  1  0.365743  0.180476  0.563313  1
  Sm  Sm192  1  0.857095  0.107393  0.583036  1
  Sm  Sm193  1  0.214925  0.484060  0.619347  1
  Sm  Sm194  1  0.707819  0.409328  0.637761  1
  Sm  Sm195  1  0.216668  0.150426  0.618991  1
  Sm  Sm196  1  0.723143  0.220326  0.598443  1
  Sm  Sm197  1  0.215667  0.817181  0.618986  1
  Sm  Sm198  1  0.723521  0.888497  0.598657  1
  Sm  Sm199  1  0.470036  0.519107  0.607230  1
  Sm  Sm200  1  0.963503  0.444257  0.629176  1
  Sm  Sm201  1  0.468529  0.185017  0.606926  1
  Sm  Sm202  1  0.962100  0.111240  0.628594  1
  Sm  Sm203  1  0.470906  0.850977  0.608302  1
  Sm  Sm204  1  0.962097  0.778248  0.628779  1
  Sm  Sm205  1  0.592667  0.334357  0.615267  1
  Sm  Sm206  1  0.082733  0.259224  0.636032  1
  Sm  Sm207  1  0.591634  0.997083  0.616201  1
  Sm  Sm208  1  0.081961  0.925857  0.636009  1
  Sm  Sm209  1  0.592200  0.663941  0.616129  1
  Sm  Sm210  1  0.082038  0.593006  0.636143  1
  Sm  Sm211  1  0.346118  0.702239  0.602202  1
  Sm  Sm212  1  0.838310  0.629241  0.621704  1
  Sm  Sm213  1  0.345372  0.370596  0.601560  1
  Sm  Sm214  1  0.836899  0.295816  0.621500  1
  Sm  Sm215  1  0.347474  0.035411  0.603155  1
  Sm  Sm216  1  0.837022  0.963209  0.622213  1
  Sm  Sm217  1  0.205454  0.334064  0.659091  1
  Sm  Sm218  1  0.688819  0.260493  0.678360  1
  Sm  Sm219  1  0.200063  0.005095  0.658134  1
  Sm  Sm220  1  0.707324  0.074344  0.639031  1
  Sm  Sm221  1  0.201598  0.671139  0.658291  1
  Sm  Sm222  1  0.708252  0.740102  0.638120  1
  Sm  Sm223  1  0.450289  0.371281  0.646134  1
  Sm  Sm224  1  0.935812  0.301291  0.665786  1
  Sm  Sm225  1  0.450707  0.039809  0.646799  1
  Sm  Sm226  1  0.937008  0.967989  0.666295  1
  Sm  Sm227  1  0.449000  0.704313  0.645949  1
  Sm  Sm228  1  0.936893  0.634894  0.666193  1
  Sm  Sm229  1  0.573008  0.181627  0.651720  1
  Sm  Sm230  1  0.063795  0.107913  0.677494  1
  Sm  Sm231  1  0.574482  0.844972  0.656977  1
  Sm  Sm232  1  0.065316  0.774189  0.677675  1
  Sm  Sm233  1  0.573457  0.511171  0.657503  1
  Sm  Sm234  1  0.066664  0.440482  0.677804  1
  Sm  Sm235  1  0.330493  0.557350  0.641894  1
  Sm  Sm236  1  0.820561  0.488406  0.660382  1
  Sm  Sm237  1  0.335146  0.224468  0.643156  1
  Sm  Sm238  1  0.821430  0.154185  0.660483  1
  Sm  Sm239  1  0.329218  0.891129  0.641673  1
  Sm  Sm240  1  0.820221  0.822213  0.660914  1
  Sm  Sm241  1  0.169942  0.195232  0.698199  1
  Sm  Sm242  1  0.635967  0.126803  0.716358  1
  Sm  Sm243  1  0.174251  0.861843  0.697495  1
  Sm  Sm244  1  0.687259  0.924533  0.679886  1
  Sm  Sm245  1  0.174914  0.528082  0.697513  1
  Sm  Sm246  1  0.686784  0.591049  0.679562  1
  Sm  Sm247  1  0.453918  0.213919  0.693204  1
  Sm  Sm248  1  0.924084  0.151915  0.709605  1
  Sm  Sm249  1  0.434859  0.886308  0.689076  1
  Sm  Sm250  1  0.923436  0.818995  0.709280  1
  Sm  Sm251  1  0.437941  0.549917  0.689768  1
  Sm  Sm252  1  0.923022  0.485896  0.709069  1
  Sm  Sm253  1  0.547697  0.019311  0.699512  1
  Sm  Sm254  1  0.032886  0.958859  0.717720  1
  Sm  Sm255  1  0.546501  0.694914  0.697325  1
  Sm  Sm256  1  0.032713  0.626063  0.717525  1
  Sm  Sm257  1  0.550959  0.353092  0.699351  1
  Sm  Sm258  1  0.030112  0.293892  0.717562  1
  Sm  Sm259  1  0.319032  0.407609  0.683967  1
  Sm  Sm260  1  0.798869  0.343865  0.702629  1
  Sm  Sm261  1  0.313283  0.077103  0.683508  1
  Sm  Sm262  1  0.796122  0.013996  0.703568  1
  Sm  Sm263  1  0.316393  0.742873  0.683770  1
  Sm  Sm264  1  0.798542  0.677734  0.702639  1
