# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   71.05600238
_cell_length_b   15.68514338
_cell_length_c   45.51646138
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.61257322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm648
_cell_volume   50580.5111467
_cell_formula_units_Z   648
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  0.823732  0.697922  0.317137  1
  Sm  Sm2  1  0.324065  0.698947  0.317544  1
  Sm  Sm3  1  0.495666  0.795247  0.286948  1
  Sm  Sm4  1  0.657018  0.367574  0.316940  1
  Sm  Sm5  1  0.660501  0.750012  0.300870  1
  Sm  Sm6  1  0.828865  0.462019  0.287229  1
  Sm  Sm7  1  0.995839  0.795175  0.286909  1
  Sm  Sm8  1  0.157453  0.365586  0.317543  1
  Sm  Sm9  1  0.161250  0.749107  0.301289  1
  Sm  Sm10  1  0.329077  0.461937  0.287046  1
  Sm  Sm11  1  0.490601  0.032346  0.317437  1
  Sm  Sm12  1  0.494516  0.415816  0.301150  1
  Sm  Sm13  1  0.661394  0.127222  0.286750  1
  Sm  Sm14  1  0.827806  0.082196  0.301027  1
  Sm  Sm15  1  0.990853  0.032145  0.317406  1
  Sm  Sm16  1  0.994592  0.415708  0.301213  1
  Sm  Sm17  1  0.162480  0.128557  0.287050  1
  Sm  Sm18  1  0.327870  0.082466  0.301287  1
  Sm  Sm19  1  0.908134  0.820457  0.278793  1
  Sm  Sm20  1  0.408098  0.820480  0.278896  1
  Sm  Sm21  1  0.575686  0.775066  0.293958  1
  Sm  Sm22  1  0.743107  0.341047  0.325539  1
  Sm  Sm23  1  0.739924  0.726032  0.308388  1
  Sm  Sm24  1  0.909396  0.441385  0.294087  1
  Sm  Sm25  1  0.076041  0.774662  0.294318  1
  Sm  Sm26  1  0.241513  0.487120  0.278971  1
  Sm  Sm27  1  0.239729  0.721557  0.308674  1
  Sm  Sm28  1  0.409263  0.441426  0.294323  1
  Sm  Sm29  1  0.574415  0.154274  0.278671  1
  Sm  Sm30  1  0.572833  0.388563  0.308419  1
  Sm  Sm31  1  0.742779  0.111075  0.293596  1
  Sm  Sm32  1  0.906563  0.054660  0.308486  1
  Sm  Sm33  1  0.074921  0.153738  0.278905  1
  Sm  Sm34  1  0.073128  0.388193  0.308610  1
  Sm  Sm35  1  0.242652  0.108042  0.294377  1
  Sm  Sm36  1  0.406298  0.054935  0.308594  1
  Sm  Sm37  1  0.952104  0.656398  0.279686  1
  Sm  Sm38  1  0.451996  0.656334  0.279773  1
  Sm  Sm39  1  0.617774  0.603703  0.296000  1
  Sm  Sm40  1  0.786974  0.319078  0.279456  1
  Sm  Sm41  1  0.782172  0.553073  0.310570  1
  Sm  Sm42  1  0.951314  0.270073  0.295999  1
  Sm  Sm43  1  0.117909  0.603422  0.296169  1
  Sm  Sm44  1  0.285399  0.322998  0.279863  1
  Sm  Sm45  1  0.283429  0.555180  0.311951  1
  Sm  Sm46  1  0.451123  0.270193  0.296107  1
  Sm  Sm47  1  0.618153  0.989134  0.279449  1
  Sm  Sm48  1  0.616391  0.222727  0.311646  1
  Sm  Sm49  1  0.784429  0.936865  0.295612  1
  Sm  Sm50  1  0.950172  0.888355  0.311745  1
  Sm  Sm51  1  0.118801  0.989616  0.279833  1
  Sm  Sm52  1  0.116823  0.221814  0.311918  1
  Sm  Sm53  1  0.284522  0.936797  0.296199  1
  Sm  Sm54  1  0.450013  0.888522  0.311858  1
  Sm  Sm55  1  0.865534  0.844419  0.320894  1
  Sm  Sm56  1  0.365626  0.844966  0.321080  1
  Sm  Sm57  1  0.535475  0.947750  0.292196  1
  Sm  Sm58  1  0.700388  0.514029  0.316798  1
  Sm  Sm59  1  0.700699  0.906286  0.300823  1
  Sm  Sm60  1  0.868937  0.614158  0.292091  1
  Sm  Sm61  1  0.035777  0.947485  0.292244  1
  Sm  Sm62  1  0.199014  0.511617  0.321096  1
  Sm  Sm63  1  0.201065  0.904265  0.301736  1
  Sm  Sm64  1  0.368990  0.614259  0.292323  1
  Sm  Sm65  1  0.532152  0.178266  0.321092  1
  Sm  Sm66  1  0.534302  0.571126  0.301634  1
  Sm  Sm67  1  0.701199  0.274490  0.293538  1
  Sm  Sm68  1  0.868053  0.237319  0.301099  1
  Sm  Sm69  1  0.032410  0.178214  0.320993  1
  Sm  Sm70  1  0.034430  0.570848  0.301670  1
  Sm  Sm71  1  0.202383  0.280896  0.292349  1
  Sm  Sm72  1  0.367662  0.237685  0.301682  1
  Sm  Sm73  1  0.823357  0.528846  0.367919  1
  Sm  Sm74  1  0.323473  0.529052  0.368459  1
  Sm  Sm75  1  0.491021  0.632284  0.337779  1
  Sm  Sm76  1  0.656999  0.197201  0.367600  1
  Sm  Sm77  1  0.656899  0.581230  0.353352  1
  Sm  Sm78  1  0.825226  0.297192  0.337925  1
  Sm  Sm79  1  0.991112  0.632279  0.337748  1
  Sm  Sm80  1  0.156848  0.195695  0.368457  1
  Sm  Sm81  1  0.156203  0.582431  0.354051  1
  Sm  Sm82  1  0.324390  0.298974  0.337891  1
  Sm  Sm83  1  0.490106  0.862426  0.368323  1
  Sm  Sm84  1  0.489410  0.249249  0.353950  1
  Sm  Sm85  1  0.657399  0.964868  0.337602  1
  Sm  Sm86  1  0.822753  0.915849  0.353651  1
  Sm  Sm87  1  0.990195  0.862319  0.368328  1
  Sm  Sm88  1  0.989603  0.248988  0.353928  1
  Sm  Sm89  1  0.157774  0.965613  0.337889  1
  Sm  Sm90  1  0.322828  0.915794  0.354054  1
  Sm  Sm91  1  0.909064  0.661225  0.330543  1
  Sm  Sm92  1  0.409036  0.661408  0.330746  1
  Sm  Sm93  1  0.574146  0.605598  0.345681  1
  Sm  Sm94  1  0.738615  0.171040  0.375720  1
  Sm  Sm95  1  0.740019  0.556278  0.361580  1
  Sm  Sm96  1  0.907598  0.271877  0.345631  1
  Sm  Sm97  1  0.074145  0.605226  0.345820  1
  Sm  Sm98  1  0.242412  0.328024  0.330804  1
  Sm  Sm99  1  0.239986  0.554085  0.362098  1
  Sm  Sm100  1  0.407381  0.271937  0.345820  1
  Sm  Sm101  1  0.575547  0.995014  0.330614  1
  Sm  Sm102  1  0.573243  0.220918  0.361865  1
  Sm  Sm103  1  0.740769  0.940575  0.344935  1
  Sm  Sm104  1  0.906659  0.887279  0.361826  1
  Sm  Sm105  1  0.075796  0.994658  0.330739  1
  Sm  Sm106  1  0.073365  0.220722  0.362032  1
  Sm  Sm107  1  0.240775  0.938585  0.345886  1
  Sm  Sm108  1  0.406615  0.887463  0.362040  1
  Sm  Sm109  1  0.950215  0.492209  0.331289  1
  Sm  Sm110  1  0.450133  0.492184  0.331400  1
  Sm  Sm111  1  0.614792  0.439794  0.347881  1
  Sm  Sm112  1  0.783464  0.160201  0.331175  1
  Sm  Sm113  1  0.782790  0.388615  0.362389  1
  Sm  Sm114  1  0.948270  0.106019  0.347848  1
  Sm  Sm115  1  0.114861  0.439414  0.348012  1
  Sm  Sm116  1  0.283504  0.158857  0.331491  1
  Sm  Sm117  1  0.281990  0.390252  0.361766  1
  Sm  Sm118  1  0.448071  0.106143  0.347958  1
  Sm  Sm119  1  0.616457  0.825786  0.331304  1
  Sm  Sm120  1  0.615274  0.057540  0.361318  1
  Sm  Sm121  1  0.781533  0.773287  0.347508  1
  Sm  Sm122  1  0.948687  0.723501  0.361569  1
  Sm  Sm123  1  0.116883  0.825501  0.331462  1
  Sm  Sm124  1  0.115366  0.056893  0.361731  1
  Sm  Sm125  1  0.281483  0.772768  0.348043  1
  Sm  Sm126  1  0.448628  0.723597  0.361678  1
  Sm  Sm127  1  0.864302  0.670107  0.374466  1
  Sm  Sm128  1  0.364238  0.670308  0.374797  1
  Sm  Sm129  1  0.532732  0.776423  0.342796  1
  Sm  Sm130  1  0.697811  0.340906  0.372977  1
  Sm  Sm131  1  0.698363  0.726926  0.356683  1
  Sm  Sm132  1  0.866227  0.442969  0.342604  1
  Sm  Sm133  1  0.032852  0.776380  0.342815  1
  Sm  Sm134  1  0.197608  0.336960  0.374822  1
  Sm  Sm135  1  0.198228  0.726913  0.357936  1
  Sm  Sm136  1  0.366109  0.443102  0.342890  1
  Sm  Sm137  1  0.530863  0.003529  0.374714  1
  Sm  Sm138  1  0.531454  0.393624  0.357795  1
  Sm  Sm139  1  0.699203  0.107610  0.342772  1
  Sm  Sm140  1  0.864936  0.060223  0.357568  1
  Sm  Sm141  1  0.030979  0.003578  0.374722  1
  Sm  Sm142  1  0.031603  0.393534  0.357837  1
  Sm  Sm143  1  0.199493  0.109737  0.342921  1
  Sm  Sm144  1  0.364850  0.060278  0.357916  1
  Sm  Sm145  1  0.821467  0.361924  0.418333  1
  Sm  Sm146  1  0.321118  0.362108  0.418389  1
  Sm  Sm147  1  0.488558  0.469445  0.387505  1
  Sm  Sm148  1  0.654494  0.029266  0.417785  1
  Sm  Sm149  1  0.654734  0.414109  0.403230  1
  Sm  Sm150  1  0.821964  0.135938  0.387539  1
  Sm  Sm151  1  0.988668  0.469354  0.387466  1
  Sm  Sm152  1  0.154477  0.028756  0.418386  1
  Sm  Sm153  1  0.155092  0.414830  0.402956  1
  Sm  Sm154  1  0.321933  0.136050  0.387612  1
  Sm  Sm155  1  0.487774  0.695478  0.418269  1
  Sm  Sm156  1  0.488384  0.081612  0.402806  1
  Sm  Sm157  1  0.655370  0.801964  0.387071  1
  Sm  Sm158  1  0.821831  0.748014  0.402374  1
  Sm  Sm159  1  0.987833  0.695392  0.418243  1
  Sm  Sm160  1  0.988463  0.081439  0.402829  1
  Sm  Sm161  1  0.155300  0.802695  0.387607  1
  Sm  Sm162  1  0.321731  0.748184  0.402958  1
  Sm  Sm163  1  0.905568  0.498248  0.378108  1
  Sm  Sm164  1  0.405462  0.498450  0.378276  1
  Sm  Sm165  1  0.572049  0.440307  0.395255  1
  Sm  Sm166  1  0.737073  0.002168  0.425826  1
  Sm  Sm167  1  0.738665  0.387581  0.410461  1
  Sm  Sm168  1  0.905565  0.106782  0.395295  1
  Sm  Sm169  1  0.072173  0.440302  0.395493  1
  Sm  Sm170  1  0.238836  0.165090  0.378339  1
  Sm  Sm171  1  0.238485  0.386873  0.411898  1
  Sm  Sm172  1  0.405448  0.107011  0.395510  1
  Sm  Sm173  1  0.572125  0.831691  0.378152  1
  Sm  Sm174  1  0.571781  0.053623  0.411646  1
  Sm  Sm175  1  0.738881  0.775815  0.395049  1
  Sm  Sm176  1  0.905214  0.720103  0.411672  1
  Sm  Sm177  1  0.072197  0.831722  0.378268  1
  Sm  Sm178  1  0.071847  0.053513  0.411829  1
  Sm  Sm179  1  0.238810  0.773657  0.395558  1
  Sm  Sm180  1  0.405130  0.720223  0.411837  1
  Sm  Sm181  1  0.947146  0.332316  0.379667  1
  Sm  Sm182  1  0.446968  0.332381  0.379807  1
  Sm  Sm183  1  0.613985  0.275260  0.395714  1
  Sm  Sm184  1  0.780282  0.000514  0.379128  1
  Sm  Sm185  1  0.779621  0.223902  0.411317  1
  Sm  Sm186  1  0.947392  0.942011  0.395707  1
  Sm  Sm187  1  0.114051  0.275433  0.395901  1
  Sm  Sm188  1  0.280357  0.999011  0.379877  1
  Sm  Sm189  1  0.279559  0.224119  0.411586  1
  Sm  Sm190  1  0.447332  0.942142  0.395850  1
  Sm  Sm191  1  0.613927  0.665384  0.379458  1
  Sm  Sm192  1  0.612929  0.890870  0.411163  1
  Sm  Sm193  1  0.780842  0.609799  0.395219  1
  Sm  Sm194  1  0.946274  0.557394  0.411393  1
  Sm  Sm195  1  0.113722  0.665658  0.379839  1
  Sm  Sm196  1  0.112917  0.890764  0.411550  1
  Sm  Sm197  1  0.280685  0.608786  0.395936  1
  Sm  Sm198  1  0.446198  0.557485  0.411502  1
  Sm  Sm199  1  0.862445  0.500091  0.424922  1
  Sm  Sm200  1  0.362387  0.499994  0.425319  1
  Sm  Sm201  1  0.530421  0.609380  0.392339  1
  Sm  Sm202  1  0.695823  0.168340  0.424276  1
  Sm  Sm203  1  0.696517  0.555219  0.407474  1
  Sm  Sm204  1  0.864052  0.275739  0.392315  1
  Sm  Sm205  1  0.030485  0.609346  0.392406  1
  Sm  Sm206  1  0.195743  0.166650  0.425346  1
  Sm  Sm207  1  0.196548  0.554543  0.408273  1
  Sm  Sm208  1  0.363759  0.276046  0.392485  1
  Sm  Sm209  1  0.529050  0.833316  0.425187  1
  Sm  Sm210  1  0.529835  0.221244  0.408126  1
  Sm  Sm211  1  0.697067  0.942966  0.391780  1
  Sm  Sm212  1  0.863235  0.887915  0.407904  1
  Sm  Sm213  1  0.029097  0.833293  0.425244  1
  Sm  Sm214  1  0.029921  0.221175  0.408177  1
  Sm  Sm215  1  0.197126  0.942692  0.392513  1
  Sm  Sm216  1  0.363190  0.887883  0.408250  1
  Sm  Sm217  1  0.819183  0.195495  0.468207  1
  Sm  Sm218  1  0.319030  0.195738  0.468301  1
  Sm  Sm219  1  0.487073  0.304534  0.435544  1
  Sm  Sm220  1  0.652387  0.862509  0.467758  1
  Sm  Sm221  1  0.653109  0.249186  0.451795  1
  Sm  Sm222  1  0.820519  0.971037  0.435328  1
  Sm  Sm223  1  0.987149  0.304458  0.435524  1
  Sm  Sm224  1  0.152372  0.862399  0.468296  1
  Sm  Sm225  1  0.153175  0.249937  0.451889  1
  Sm  Sm226  1  0.320419  0.971153  0.435656  1
  Sm  Sm227  1  0.485692  0.529098  0.468186  1
  Sm  Sm228  1  0.486495  0.916681  0.451752  1
  Sm  Sm229  1  0.653760  0.637491  0.435166  1
  Sm  Sm230  1  0.819909  0.583408  0.451506  1
  Sm  Sm231  1  0.985722  0.529073  0.468162  1
  Sm  Sm232  1  0.986528  0.916595  0.451754  1
  Sm  Sm233  1  0.153770  0.637806  0.435652  1
  Sm  Sm234  1  0.319826  0.583282  0.451893  1
  Sm  Sm235  1  0.903899  0.332919  0.427000  1
  Sm  Sm236  1  0.403739  0.332964  0.427167  1
  Sm  Sm237  1  0.570072  0.276155  0.444093  1
  Sm  Sm238  1  0.735374  0.835092  0.475774  1
  Sm  Sm239  1  0.736230  0.222950  0.459210  1
  Sm  Sm240  1  0.903459  0.942563  0.444068  1
  Sm  Sm241  1  0.070092  0.276055  0.444248  1
  Sm  Sm242  1  0.237095  -0.000382  0.427222  1
  Sm  Sm243  1  0.236134  0.221726  0.460617  1
  Sm  Sm244  1  0.403390  0.942740  0.444257  1
  Sm  Sm245  1  0.570418  0.666325  0.426953  1
  Sm  Sm246  1  0.569492  0.888429  0.460347  1
  Sm  Sm247  1  0.736742  0.610556  0.443213  1
  Sm  Sm248  1  0.902823  0.554933  0.460402  1
  Sm  Sm249  1  0.070449  0.666258  0.427159  1
  Sm  Sm250  1  0.069480  0.888373  0.460549  1
  Sm  Sm251  1  0.236736  0.609405  0.444312  1
  Sm  Sm252  1  0.402790  0.555064  0.460557  1
  Sm  Sm253  1  0.945737  0.167887  0.428186  1
  Sm  Sm254  1  0.445645  0.167964  0.428314  1
  Sm  Sm255  1  0.611703  0.112318  0.444894  1
  Sm  Sm256  1  0.779077  0.835912  0.427724  1
  Sm  Sm257  1  0.777829  0.057986  0.461065  1
  Sm  Sm258  1  0.945141  0.779198  0.444969  1
  Sm  Sm259  1  0.111775  0.112565  0.445124  1
  Sm  Sm260  1  0.278992  0.834622  0.428396  1
  Sm  Sm261  1  0.277690  0.057518  0.461668  1
  Sm  Sm262  1  0.445080  0.779270  0.445074  1
  Sm  Sm263  1  0.612174  0.501547  0.428194  1
  Sm  Sm264  1  0.611057  0.724207  0.461278  1
  Sm  Sm265  1  0.778500  0.446668  0.444398  1
  Sm  Sm266  1  0.944411  0.390824  0.461487  1
  Sm  Sm267  1  0.112346  0.501276  0.428361  1
  Sm  Sm268  1  0.111035  0.724174  0.461632  1
  Sm  Sm269  1  0.278424  0.445915  0.445161  1
  Sm  Sm270  1  0.444349  0.390866  0.461587  1
  Sm  Sm271  1  0.860532  0.332750  0.474750  1
  Sm  Sm272  1  0.360407  0.332631  0.475002  1
  Sm  Sm273  1  0.528428  0.442907  0.441825  1
  Sm  Sm274  1  0.693761  0.000255  0.474172  1
  Sm  Sm275  1  0.694586  0.388871  0.457705  1
  Sm  Sm276  1  0.861899  0.109427  0.441760  1
  Sm  Sm277  1  0.028472  0.442893  0.441903  1
  Sm  Sm278  1  0.193747  0.999300  0.475030  1
  Sm  Sm279  1  0.194551  0.388254  0.458526  1
  Sm  Sm280  1  0.361767  0.109565  0.441979  1
  Sm  Sm281  1  0.527082  0.665951  0.474844  1
  Sm  Sm282  1  0.527880  0.054936  0.458367  1
  Sm  Sm283  1  0.695118  0.777002  0.441186  1
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