# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.92695179
_cell_length_b   28.84432423
_cell_length_c   47.40409344
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.92070846
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm432
_cell_volume   33887.5198621
_cell_formula_units_Z   432
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  0.315490  0.392446  0.314414  1
  Sm  Sm2  1  0.315515  0.059332  0.314516  1
  Sm  Sm3  1  0.329326  0.265636  0.290783  1
  Sm  Sm4  1  0.815499  0.225823  0.314372  1
  Sm  Sm5  1  0.829406  0.432747  0.290753  1
  Sm  Sm6  1  0.315879  0.725735  0.314365  1
  Sm  Sm7  1  0.329396  0.932736  0.290707  1
  Sm  Sm8  1  0.813434  0.893239  0.313916  1
  Sm  Sm9  1  0.829917  0.098757  0.290749  1
  Sm  Sm10  1  0.328213  0.599323  0.290674  1
  Sm  Sm11  1  0.815856  0.559685  0.314500  1
  Sm  Sm12  1  0.833425  0.762377  0.290729  1
  Sm  Sm13  1  0.571255  0.415726  0.300231  1
  Sm  Sm14  1  0.571346  0.082298  0.300209  1
  Sm  Sm15  1  0.562933  0.211461  0.326178  1
  Sm  Sm16  1  0.071277  0.249146  0.300233  1
  Sm  Sm17  1  0.062707  0.378291  0.326178  1
  Sm  Sm18  1  0.570878  0.748953  0.300107  1
  Sm  Sm19  1  0.562938  0.878180  0.326115  1
  Sm  Sm20  1  0.072198  0.915313  0.299817  1
  Sm  Sm21  1  0.063149  0.045065  0.326232  1
  Sm  Sm22  1  0.562600  0.544825  0.326134  1
  Sm  Sm23  1  0.072575  0.581622  0.300344  1
  Sm  Sm24  1  0.078382  0.785613  0.275848  1
  Sm  Sm25  1  0.681718  0.303524  0.319918  1
  Sm  Sm26  1  0.681330  0.969957  0.319802  1
  Sm  Sm27  1  0.696453  0.174163  0.295677  1
  Sm  Sm28  1  0.181639  0.137027  0.319993  1
  Sm  Sm29  1  0.196202  0.341016  0.295691  1
  Sm  Sm30  1  0.681189  0.636677  0.320004  1
  Sm  Sm31  1  0.697242  0.839349  0.295646  1
  Sm  Sm32  1  0.184223  0.804169  0.320673  1
  Sm  Sm33  1  0.196436  0.007993  0.295641  1
  Sm  Sm34  1  0.696339  0.507904  0.295717  1
  Sm  Sm35  1  0.181820  0.469949  0.320101  1
  Sm  Sm36  1  0.194843  0.675187  0.295357  1
  Sm  Sm37  1  0.459051  0.524585  0.281982  1
  Sm  Sm38  1  0.459746  0.191126  0.281893  1
  Sm  Sm39  1  0.452688  0.320502  0.302771  1
  Sm  Sm40  1  0.959597  0.358017  0.281901  1
  Sm  Sm41  1  0.952730  0.487822  0.302441  1
  Sm  Sm42  1  0.459423  0.857870  0.282000  1
  Sm  Sm43  1  0.452833  0.987296  0.302721  1
  Sm  Sm44  1  0.960538  0.023453  0.281855  1
  Sm  Sm45  1  0.952737  0.153765  0.302733  1
  Sm  Sm46  1  0.452542  0.653829  0.302790  1
  Sm  Sm47  1  0.971137  0.695676  0.278597  1
  Sm  Sm48  1  0.946967  0.821405  0.305679  1
  Sm  Sm49  1  0.284464  0.317073  0.364378  1
  Sm  Sm50  1  0.284734  0.983733  0.364395  1
  Sm  Sm51  1  0.299563  0.188842  0.338417  1
  Sm  Sm52  1  0.784621  0.150392  0.364320  1
  Sm  Sm53  1  0.799724  0.355576  0.338225  1
  Sm  Sm54  1  0.283811  0.650911  0.364113  1
  Sm  Sm55  1  0.300961  0.855683  0.338528  1
  Sm  Sm56  1  0.786767  0.816649  0.363648  1
  Sm  Sm57  1  0.798667  0.022496  0.338387  1
  Sm  Sm58  1  0.300428  0.521729  0.338382  1
  Sm  Sm59  1  0.784616  0.483897  0.364330  1
  Sm  Sm60  1  0.796174  0.688825  0.339369  1
  Sm  Sm61  1  0.545046  0.337900  0.353382  1
  Sm  Sm62  1  0.545174  0.004455  0.353414  1
  Sm  Sm63  1  0.527618  0.133739  0.374834  1
  Sm  Sm64  1  0.044959  0.171367  0.353399  1
  Sm  Sm65  1  0.027496  0.300566  0.374848  1
  Sm  Sm66  1  0.545080  0.671288  0.353511  1
  Sm  Sm67  1  0.527473  0.800460  0.374898  1
  Sm  Sm68  1  0.045315  0.837736  0.352843  1
  Sm  Sm69  1  0.027528  0.966662  0.374364  1
  Sm  Sm70  1  0.527717  0.467147  0.374871  1
  Sm  Sm71  1  0.044372  0.504686  0.353301  1
  Sm  Sm72  1  0.061767  0.707939  0.329787  1
  Sm  Sm73  1  0.658858  0.226299  0.372226  1
  Sm  Sm74  1  0.659518  0.892446  0.372146  1
  Sm  Sm75  1  0.671585  0.097397  0.347229  1
  Sm  Sm76  1  0.158982  0.059674  0.372254  1
  Sm  Sm77  1  0.171797  0.264067  0.347231  1
  Sm  Sm78  1  0.658490  0.559464  0.372335  1
  Sm  Sm79  1  0.670687  0.764602  0.347529  1
  Sm  Sm80  1  0.158476  0.727403  0.371204  1
  Sm  Sm81  1  0.172103  0.930623  0.347074  1
  Sm  Sm82  1  0.671935  0.430675  0.347132  1
  Sm  Sm83  1  0.158562  0.392981  0.372312  1
  Sm  Sm84  1  0.172787  0.596772  0.347262  1
  Sm  Sm85  1  0.429199  0.448039  0.330378  1
  Sm  Sm86  1  0.428995  0.114897  0.330330  1
  Sm  Sm87  1  0.415610  0.245127  0.354872  1
  Sm  Sm88  1  0.928946  0.281635  0.330272  1
  Sm  Sm89  1  0.915642  0.412212  0.354771  1
  Sm  Sm90  1  0.429257  0.781361  0.330388  1
  Sm  Sm91  1  0.415964  0.911980  0.354924  1
  Sm  Sm92  1  0.928047  0.948755  0.330369  1
  Sm  Sm93  1  0.915669  0.078465  0.354819  1
  Sm  Sm94  1  0.415232  0.578599  0.354851  1
  Sm  Sm95  1  0.929448  0.617395  0.327929  1
  Sm  Sm96  1  0.915632  0.743354  0.355386  1
  Sm  Sm97  1  0.257713  0.240696  0.413470  1
  Sm  Sm98  1  0.257681  0.907500  0.413427  1
  Sm  Sm99  1  0.272487  0.112496  0.387900  1
  Sm  Sm100  1  0.757641  0.074072  0.413425  1
  Sm  Sm101  1  0.772512  0.279187  0.387743  1
  Sm  Sm102  1  0.257934  0.573950  0.413320  1
  Sm  Sm103  1  0.273084  0.779183  0.388069  1
  Sm  Sm104  1  0.757762  0.741003  0.413398  1
  Sm  Sm105  1  0.772456  0.945762  0.387842  1
  Sm  Sm106  1  0.272300  0.445878  0.387834  1
  Sm  Sm107  1  0.757759  0.407387  0.413341  1
  Sm  Sm108  1  0.771918  0.611819  0.388405  1
  Sm  Sm109  1  0.514208  0.260013  0.400368  1
  Sm  Sm110  1  0.514397  0.926665  0.400443  1
  Sm  Sm111  1  0.499909  0.055786  0.425033  1
  Sm  Sm112  1  0.014268  0.093272  0.400319  1
  Sm  Sm113  1  0.999763  0.222482  0.425050  1
  Sm  Sm114  1  0.513957  0.593310  0.400395  1
  Sm  Sm115  1  0.499990  0.722463  0.425091  1
  Sm  Sm116  1  0.013927  0.760552  0.400640  1
  Sm  Sm117  1  1.000109  0.889235  0.425237  1
  Sm  Sm118  1  0.499729  0.389143  0.424965  1
  Sm  Sm119  1  0.014039  0.426745  0.400473  1
  Sm  Sm120  1  0.027138  0.631918  0.375982  1
  Sm  Sm121  1  0.627739  0.149572  0.419983  1
  Sm  Sm122  1  0.627472  0.816308  0.420202  1
  Sm  Sm123  1  0.643362  0.021519  0.395772  1
  Sm  Sm124  1  0.127644  0.982815  0.419825  1
  Sm  Sm125  1  0.143248  0.188321  0.395824  1
  Sm  Sm126  1  0.627703  0.482788  0.420017  1
  Sm  Sm127  1  0.643559  0.688281  0.395841  1
  Sm  Sm128  1  0.127832  0.649900  0.419673  1
  Sm  Sm129  1  0.143072  0.854920  0.395775  1
  Sm  Sm130  1  0.643272  0.354961  0.395752  1
  Sm  Sm131  1  0.127681  0.316189  0.420021  1
  Sm  Sm132  1  0.143179  0.521326  0.395866  1
  Sm  Sm133  1  0.401269  0.371440  0.379867  1
  Sm  Sm134  1  0.401481  0.038134  0.379907  1
  Sm  Sm135  1  0.386963  0.166755  0.404872  1
  Sm  Sm136  1  0.901406  0.204810  0.379837  1
  Sm  Sm137  1  0.886934  0.333518  0.404770  1
  Sm  Sm138  1  0.401589  0.704691  0.379939  1
  Sm  Sm139  1  0.387044  0.833461  0.404945  1
  Sm  Sm140  1  0.901565  0.871588  0.380121  1
  Sm  Sm141  1  0.886927  0.000038  0.404816  1
  Sm  Sm142  1  0.387065  0.500018  0.404905  1
  Sm  Sm143  1  0.901636  0.538827  0.379432  1
  Sm  Sm144  1  0.886712  0.666187  0.404679  1
  Sm  Sm145  1  0.228252  0.164209  0.462395  1
  Sm  Sm146  1  0.228349  0.830846  0.462290  1
  Sm  Sm147  1  0.242599  0.036365  0.438017  1
  Sm  Sm148  1  0.728287  -0.002504  0.462346  1
  Sm  Sm149  1  0.742629  0.202995  0.437947  1
  Sm  Sm150  1  0.228206  0.497547  0.462295  1
  Sm  Sm151  1  0.242209  0.703122  0.437771  1
  Sm  Sm152  1  0.728195  0.664167  0.462513  1
  Sm  Sm153  1  0.742900  0.869449  0.437817  1
  Sm  Sm154  1  0.242612  0.369622  0.438031  1
  Sm  Sm155  1  0.728206  0.330894  0.462223  1
  Sm  Sm156  1  0.742297  0.536173  0.438206  1
  Sm  Sm157  1  0.485610  0.183613  0.449601  1
  Sm  Sm158  1  0.485518  0.850343  0.449661  1
  Sm  Sm159  1  0.470661  0.978731  0.474453  1
  Sm  Sm160  1  0.985641  0.016973  0.449516  1
  Sm  Sm161  1  0.970485  0.145348  0.474427  1
  Sm  Sm162  1  0.485580  0.516965  0.449684  1
  Sm  Sm163  1  0.470488  0.645341  0.474413  1
  Sm  Sm164  1  0.985292  0.683487  0.449793  1
  Sm  Sm165  1  0.970449  0.812047  0.474475  1
  Sm  Sm166  1  0.470584  0.312022  0.474441  1
  Sm  Sm167  1  0.985453  0.350189  0.449720  1
  Sm  Sm168  1  1.000014  0.555042  0.425697  1
  Sm  Sm169  1  0.598751  0.072888  0.469670  1
  Sm  Sm170  1  0.598686  0.739607  0.469778  1
  Sm  Sm171  1  0.612877  0.944981  0.444689  1
  Sm  Sm172  1  0.098861  0.906325  0.469754  1
  Sm  Sm173  1  0.112636  0.111730  0.444711  1
  Sm  Sm174  1  0.598610  0.406227  0.469662  1
  Sm  Sm175  1  0.612596  0.611776  0.444763  1
  Sm  Sm176  1  0.098665  0.573030  0.469614  1
  Sm  Sm177  1  0.112794  0.778428  0.444778  1
  Sm  Sm178  1  0.612607  0.278453  0.444694  1
  Sm  Sm179  1  0.098670  0.239540  0.469697  1
  Sm  Sm180  1  0.112718  0.444857  0.444871  1
  Sm  Sm181  1  0.372211  0.294696  0.429795  1
  Sm  Sm182  1  0.372239  0.961445  0.429844  1
  Sm  Sm183  1  0.357705  0.089419  0.454354  1
  Sm  Sm184  1  0.872238  0.128027  0.429721  1
  Sm  Sm185  1  0.857687  0.256112  0.454261  1
  Sm  Sm186  1  0.371903  0.628159  0.429735  1
  Sm  Sm187  1  0.357778  0.756008  0.454417  1
  Sm  Sm188  1  0.872300  0.794487  0.429788  1
  Sm  Sm189  1  0.857638  0.922794  0.454473  1
  Sm  Sm190  1  0.357605  0.422707  0.454319  1
  Sm  Sm191  1  0.872103  0.461509  0.429744  1
  Sm  Sm192  1  0.857702  0.589265  0.454339  1
  Sm  Sm193  1  0.198510  0.087779  0.511533  1
  Sm  Sm194  1  0.198486  0.754445  0.511527  1
  Sm  Sm195  1  0.213816  0.959176  0.486947  1
  Sm  Sm196  1  0.698588  0.920987  0.511486  1
  Sm  Sm197  1  0.713718  0.125881  0.487032  1
  Sm  Sm198  1  0.198490  0.420998  0.511577  1
  Sm  Sm199  1  0.213585  0.625982  0.486828  1
  Sm  Sm200  1  0.698315  0.587693  0.511668  1
  Sm  Sm201  1  0.713716  0.792547  0.487046  1
  Sm  Sm202  1  0.213585  0.292531  0.487119  1
  Sm  Sm203  1  0.698355  0.254454  0.511373  1
  Sm  Sm204  1  0.713701  0.459102  0.487078  1
  Sm  Sm205  1  0.456100  0.106954  0.498928  1
  Sm  Sm206  1  0.456043  0.773624  0.498958  1
  Sm  Sm207  1  0.442024  0.901986  0.523668  1
  Sm  Sm208  1  0.956190  0.940353  0.498927  1
  Sm  Sm209  1  0.941875  0.068666  0.523650  1
  Sm  Sm210  1  0.455883  0.440289  0.498863  1
  Sm  Sm211  1  0.441944  0.568600  0.523651  1
  Sm  Sm212  1  0.955917  0.606771  0.499157  1
  Sm  Sm213  1  0.941847  0.735239  0.523675  1
  Sm  Sm214  1  0.441940  0.235258  0.523578  1
  Sm  Sm215  1  0.955975  0.273453  0.499118  1
  Sm  Sm216  1  0.970396  0.478406  0.474625  1
  Sm  Sm217  1  0.568991  0.996189  0.518999  1
  Sm  Sm218  1  0.568863  0.662879  0.519004  1
  Sm  Sm219  1  0.584020  0.867834  0.494238  1
  Sm  Sm220  1  0.068912  0.829603  0.518940  1
  Sm  Sm221  1  0.084040  0.034406  0.494138  1
  Sm  Sm222  1  0.568834  0.329559  0.518964  1
  Sm  Sm223  1  0.584026  0.534401  0.494189  1
  Sm  Sm224  1  0.068864  0.496178  0.518953  1
  Sm  Sm225  1  0.084027  0.701177  0.494121  1
  Sm  Sm226  1  0.583980  0.201090  0.494131  1
  Sm  Sm227  1  0.068908  0.162730  0.518912  1
  Sm  Sm228  1  0.083966  0.367683  0.494240  1
  Sm  Sm229  1  0.343274  0.217607  0.479543  1
  Sm  Sm230  1  0.343349  0.884259  0.479543  1
  Sm  Sm231  1  0.328325  0.012747  0.504192  1
  Sm  Sm232  1  0.843305  0.050953  0.479495  1
  Sm  Sm233  1  0.828332  0.179379  0.504079  1
  Sm  Sm234  1  0.343191  0.550969  0.479510  1
  Sm  Sm235  1  0.328231  0.679365  0.504111  1
  Sm  Sm236  1  0.843269  0.717425  0.479466  1
  Sm  Sm237  1  0.828310  0.845932  0.504116  1
  Sm  Sm238  1  0.328338  0.345997  0.504159  1
  Sm  Sm239  1  0.843241  0.384223  0.479508  1
  Sm  Sm240  1  0.828226  0.512588  0.504229  1
  Sm  Sm241  1  0.170025  0.010726  0.560510  1
  Sm  Sm242  1  0.169698  0.677569  0.560641  1
  Sm  Sm243  1  0.183825  0.882831  0.536019  1
  Sm  Sm244  1  0.669690  0.844188  0.560759  1
  Sm  Sm245  1  0.683916  0.049407  0.536002  1
  Sm  Sm246  1  0.169496  0.344052  0.560887  1
  Sm  Sm247  1  0.183750  0.549541  0.535904  1
  Sm  Sm248  1  0.669696  0.510763  0.560758  1
  Sm  Sm249  1  0.683754  0.716133  0.536129  1
  Sm  Sm250  1  0.183815  0.216123  0.536173  1
  Sm  Sm251  1  0.669324  0.177588  0.560534  1
  Sm  Sm252  1  0.683755  0.382756  0.536013  1
  Sm  Sm253  1  0.427010  0.030324  0.548563  1
  Sm  Sm254  1  0.427018  0.696928  0.548552  1
  Sm  Sm255  1  0.411673  0.825264  0.572452  1
  Sm  Sm256  1  0.927072  0.863592  0.548442  1
  Sm  Sm257  1  0.911973  0.992073  0.572549  1
  Sm  Sm258  1  0.427062  0.363624  0.548592  1
  Sm  Sm259  1  0.411508  0.491973  0.572356  1
  Sm  Sm260  1  0.926893  0.530163  0.548649  1
  Sm  Sm261  1  0.911548  0.658577  0.572484  1
  Sm  Sm262  1  0.411907  0.158611  0.572439  1
  Sm  Sm263  1  0.926781  0.196825  0.548637  1
  Sm  Sm264  1  0.941807  0.401659  0.523800  1
  Sm  Sm265  1  0.540136  0.918992  0.568737  1
  Sm  Sm266  1  0.540108  0.585560  0.568667  1
  Sm  Sm267  1  0.554285  0.791085  0.543822  1
  Sm  Sm268  1  0.040115  0.752282  0.568608  1
  Sm  Sm269  1  0.054280  0.957832  0.543906  1
  Sm  Sm270  1  0.539869  0.252342  0.568610  1
  Sm  Sm271  1  0.554223  0.457673  0.543769  1
  Sm  Sm272  1  0.040057  0.419028  0.568614  1
  Sm  Sm273  1  0.054289  0.624448  0.543704  1
  Sm  Sm274  1  0.554469  0.124291  0.543866  1
  Sm  Sm275  1  0.040198  0.085416  0.568688  1
  Sm  Sm276  1  0.054388  0.290916  0.543782  1
  Sm  Sm277  1  0.313339  0.140778  0.528665  1
  Sm  Sm278  1  0.313290  0.807418  0.528607  1
  Sm  Sm279  1  0.299359  0.935596  0.553563  1
  Sm  Sm280  1  0.813456  0.974103  0.528687  1
  Sm  Sm281  1  0.799303  0.102330  0.553649  1
  Sm  Sm282  1  0.313188  0.474082  0.528577  1
  Sm  Sm283  1  0.299078  0.602412  0.553554  1
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