# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.97856934
_cell_length_b   59.27347543
_cell_length_c   7.58338857
_cell_angle_alpha   90.00000000
_cell_angle_beta   116.16353378
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm159
_cell_volume   5639.49020094
_cell_formula_units_Z   159
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  0.133125  0.001784  0.740465  1
  Sm  Sm2  1  0.134329  0.201342  0.242732  1
  Sm  Sm3  1  0.134282  0.201596  0.742063  1
  Sm  Sm4  1  0.133425  0.401742  0.241029  1
  Sm  Sm5  1  0.133409  0.401761  0.740956  1
  Sm  Sm6  1  0.132826  0.601826  0.239902  1
  Sm  Sm7  1  0.132841  0.601807  0.739975  1
  Sm  Sm8  1  0.131922  0.802226  0.238199  1
  Sm  Sm9  1  0.131969  0.801972  0.738868  1
  Sm  Sm10  1  0.367093  0.002074  0.243534  1
  Sm  Sm11  1  0.384807  0.002139  0.747211  1
  Sm  Sm12  1  0.383376  0.202080  0.240630  1
  Sm  Sm13  1  0.383839  0.201919  0.741553  1
  Sm  Sm14  1  0.383344  0.401805  0.240829  1
  Sm  Sm15  1  0.383366  0.401788  0.740905  1
  Sm  Sm16  1  0.382875  0.601783  0.240039  1
  Sm  Sm17  1  0.382860  0.601803  0.739961  1
  Sm  Sm18  1  0.382315  0.801690  0.239566  1
  Sm  Sm19  1  0.382261  0.801977  0.738538  1
  Sm  Sm20  1  0.633125  0.001784  0.240465  1
  Sm  Sm21  1  0.633125  0.001784  0.740465  1
  Sm  Sm22  1  0.634102  0.201705  0.243016  1
  Sm  Sm23  1  0.633713  0.201914  0.741787  1
  Sm  Sm24  1  0.633397  0.401766  0.241026  1
  Sm  Sm25  1  0.633377  0.401784  0.740945  1
  Sm  Sm26  1  0.632853  0.601801  0.239904  1
  Sm  Sm27  1  0.632874  0.601783  0.739985  1
  Sm  Sm28  1  0.632149  0.801863  0.237914  1
  Sm  Sm29  1  0.632537  0.801654  0.739144  1
  Sm  Sm30  1  0.899158  1.001493  0.237397  1
  Sm  Sm31  1  0.881444  1.001429  0.733719  1
  Sm  Sm32  1  0.883936  0.201878  0.241365  1
  Sm  Sm33  1  0.883990  0.201591  0.742393  1
  Sm  Sm34  1  0.883375  0.401784  0.240892  1
  Sm  Sm35  1  0.883390  0.401765  0.740970  1
  Sm  Sm36  1  0.882907  0.601762  0.240102  1
  Sm  Sm37  1  0.882885  0.601780  0.740025  1
  Sm  Sm38  1  0.882875  0.801488  0.240300  1
  Sm  Sm39  1  0.882412  0.801649  0.739377  1
  Sm  Sm40  1  0.132898  0.100476  0.238538  1
  Sm  Sm41  1  0.133337  0.101261  0.743422  1
  Sm  Sm42  1  0.133491  0.301642  0.241018  1
  Sm  Sm43  1  0.133551  0.301713  0.741316  1
  Sm  Sm44  1  0.133125  0.501784  0.240465  1
  Sm  Sm45  1  0.133125  0.501784  0.740465  1
  Sm  Sm46  1  0.132760  0.701926  0.239913  1
  Sm  Sm47  1  0.132700  0.701854  0.739615  1
  Sm  Sm48  1  0.133353  0.903092  0.242393  1
  Sm  Sm49  1  0.132914  0.902306  0.737508  1
  Sm  Sm50  1  0.385926  0.102485  0.244645  1
  Sm  Sm51  1  0.383551  0.102449  0.740731  1
  Sm  Sm52  1  0.383779  0.301862  0.241690  1
  Sm  Sm53  1  0.383685  0.301804  0.741389  1
  Sm  Sm54  1  0.383132  0.501789  0.240461  1
  Sm  Sm55  1  0.383131  0.501789  0.740461  1
  Sm  Sm56  1  0.382582  0.701761  0.239212  1
  Sm  Sm57  1  0.382615  0.701834  0.739472  1
  Sm  Sm58  1  0.382385  0.901444  0.235990  1
  Sm  Sm59  1  0.380930  0.902623  0.737320  1
  Sm  Sm60  1  0.633610  0.101823  0.240176  1
  Sm  Sm61  1  0.634338  0.102269  0.741048  1
  Sm  Sm62  1  0.633612  0.301747  0.241246  1
  Sm  Sm63  1  0.633681  0.301810  0.741499  1
  Sm  Sm64  1  0.633125  0.501784  0.240465  1
  Sm  Sm65  1  0.633125  0.501784  0.740465  1
  Sm  Sm66  1  0.632639  0.701821  0.239684  1
  Sm  Sm67  1  0.632569  0.701758  0.739431  1
  Sm  Sm68  1  0.632640  0.901745  0.240755  1
  Sm  Sm69  1  0.631912  0.901298  0.739883  1
  Sm  Sm70  1  0.883866  0.102124  0.244940  1
  Sm  Sm71  1  0.885321  0.100945  0.743611  1
  Sm  Sm72  1  0.883668  0.301807  0.241719  1
  Sm  Sm73  1  0.883636  0.301734  0.741459  1
  Sm  Sm74  1  0.883119  0.501779  0.240469  1
  Sm  Sm75  1  0.883120  0.501779  0.740470  1
  Sm  Sm76  1  0.882472  0.701706  0.239240  1
  Sm  Sm77  1  0.882566  0.701763  0.739542  1
  Sm  Sm78  1  0.880325  0.901083  0.236285  1
  Sm  Sm79  1  0.882700  0.901119  0.740199  1
  Sm  Sm80  1  0.200883  0.151468  0.002556  1
  Sm  Sm81  1  0.200223  0.151272  0.501664  1
  Sm  Sm82  1  0.200520  0.351749  0.001696  1
  Sm  Sm83  1  0.200498  0.351722  0.501615  1
  Sm  Sm84  1  0.200031  0.551795  0.000770  1
  Sm  Sm85  1  0.200026  0.551802  0.500742  1
  Sm  Sm86  1  0.199450  0.751897  -0.000183  1
  Sm  Sm87  1  0.199438  0.752021  0.499577  1
  Sm  Sm88  1  0.200002  0.951960  -0.002027  1
  Sm  Sm89  1  0.196479  0.954985  0.486015  1
  Sm  Sm90  1  0.451085  0.152122  0.002583  1
  Sm  Sm91  1  0.451352  0.152277  0.502824  1
  Sm  Sm92  1  0.450561  0.351796  0.001720  1
  Sm  Sm93  1  0.450577  0.351823  0.501788  1
  Sm  Sm94  1  0.450033  0.551792  0.000763  1
  Sm  Sm95  1  0.450040  0.551785  0.500792  1
  Sm  Sm96  1  0.449395  0.751836  -0.000394  1
  Sm  Sm97  1  0.449484  0.751734  0.499918  1
  Sm  Sm98  1  0.449389  0.952182  0.001129  1
  Sm  Sm99  1  0.454029  0.951182  0.503006  1
  Sm  Sm100  1  0.701161  0.152016  0.003064  1
  Sm  Sm101  1  0.701831  0.151541  0.503162  1
  Sm  Sm102  1  0.700582  0.351784  0.001773  1
  Sm  Sm103  1  0.700577  0.351753  0.501707  1
  Sm  Sm104  1  0.700042  0.551783  0.000779  1
  Sm  Sm105  1  0.700036  0.551789  0.500751  1
  Sm  Sm106  1  0.699557  0.751728  -0.000140  1
  Sm  Sm107  1  0.699461  0.751801  0.499594  1
  Sm  Sm108  1  0.699533  0.951933  0.001948  1
  Sm  Sm109  1  0.699301  0.951194  0.501138  1
  Sm  Sm110  1  0.951185  0.151342  0.002539  1
  Sm  Sm111  1  0.951140  0.151850  0.503284  1
  Sm  Sm112  1  0.950569  0.351748  0.001738  1
  Sm  Sm113  1  0.950582  0.351780  0.501814  1
  Sm  Sm114  1  0.950054  0.551784  0.000789  1
  Sm  Sm115  1  0.950058  0.551777  0.500817  1
  Sm  Sm116  1  0.949681  0.751776  -0.000017  1
  Sm  Sm117  1  0.949684  0.751676  0.500167  1
  Sm  Sm118  1  0.949532  0.951674  -0.000502  1
  Sm  Sm119  1  0.946725  0.950891  0.503683  1
  Sm  Sm120  1  0.066248  0.051608  0.482957  1
  Sm  Sm121  1  0.069772  0.048583  -0.005084  1
  Sm  Sm122  1  0.066801  0.251671  0.481114  1
  Sm  Sm123  1  0.066812  0.251547  0.981353  1
  Sm  Sm124  1  0.066220  0.451772  0.480160  1
  Sm  Sm125  1  0.066225  0.451766  0.980189  1
  Sm  Sm126  1  0.065731  0.651818  0.479235  1
  Sm  Sm127  1  0.065753  0.651845  0.979315  1
  Sm  Sm128  1  0.065368  0.852099  0.478374  1
  Sm  Sm129  1  0.066028  0.852296  0.979266  1
  Sm  Sm130  1  0.316719  0.051894  0.481432  1
  Sm  Sm131  1  0.319526  0.052676  0.977247  1
  Sm  Sm132  1  0.316569  0.251791  0.480948  1
  Sm  Sm133  1  0.316567  0.251892  0.980763  1
  Sm  Sm134  1  0.316197  0.451784  0.480141  1
  Sm  Sm135  1  0.316192  0.451790  0.980114  1
  Sm  Sm136  1  0.315681  0.651820  0.479193  1
  Sm  Sm137  1  0.315668  0.651787  0.979116  1
  Sm  Sm138  1  0.315066  0.852226  0.478391  1
  Sm  Sm139  1  0.315111  0.851718  0.977646  1
  Sm  Sm140  1  0.566718  0.051634  0.478982  1
  Sm  Sm141  1  0.566950  0.052374  0.979792  1
  Sm  Sm142  1  0.566694  0.251839  0.481071  1
  Sm  Sm143  1  0.566790  0.251767  0.981336  1
  Sm  Sm144  1  0.566209  0.451784  0.480151  1
  Sm  Sm145  1  0.566215  0.451779  0.980180  1
  Sm  Sm146  1  0.565669  0.651783  0.479158  1
  Sm  Sm147  1  0.565674  0.651815  0.979224  1
  Sm  Sm148  1  0.565089  0.851552  0.477867  1
  Sm  Sm149  1  0.564420  0.852027  0.977769  1
  Sm  Sm150  1  0.816862  0.051386  0.479801  1
  Sm  Sm151  1  0.812222  0.052386  0.977924  1
  Sm  Sm152  1  0.816855  0.251731  0.481324  1
  Sm  Sm153  1  0.816767  0.251834  0.981013  1
  Sm  Sm154  1  0.816217  0.451776  0.480168  1
  Sm  Sm155  1  0.816211  0.451782  0.980138  1
  Sm  Sm156  1  0.815689  0.651771  0.479210  1
  Sm  Sm157  1  0.815674  0.651745  0.979142  1
  Sm  Sm158  1  0.815166  0.851446  0.478348  1
  Sm  Sm159  1  0.814898  0.851291  0.978107  1
