# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   41.14899617
_cell_length_b   18.84240551
_cell_length_c   48.25538428
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.14408211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm432
_cell_volume   32769.0769842
_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  0.925136  0.100108  0.282638  1
  Sm  Sm2  1  0.906798  0.266075  0.331941  1
  Sm  Sm3  1  0.248267  0.114249  0.279392  1
  Sm  Sm4  1  0.926769  0.424730  0.313720  1
  Sm  Sm5  1  0.244825  0.256563  0.336191  1
  Sm  Sm6  1  0.924401  0.600116  0.281483  1
  Sm  Sm7  1  0.591354  0.119610  0.279664  1
  Sm  Sm8  1  0.254979  0.425253  0.310610  1
  Sm  Sm9  1  0.931369  0.784020  0.257232  1
  Sm  Sm10  1  0.601984  0.295359  0.255188  1
  Sm  Sm11  1  0.243774  0.613971  0.277896  1
  Sm  Sm12  1  0.920464  0.926786  0.312193  1
  Sm  Sm13  1  0.585896  0.435306  0.314302  1
  Sm  Sm14  1  0.270177  0.771152  0.260099  1
  Sm  Sm15  1  0.575553  0.632815  0.279292  1
  Sm  Sm16  1  0.255113  0.927292  0.312502  1
  Sm  Sm17  1  0.604624  0.778570  0.259907  1
  Sm  Sm18  1  0.587184  0.935221  0.315325  1
  Sm  Sm19  1  0.763533  0.252684  0.260114  1
  Sm  Sm20  1  0.741479  0.438860  0.308765  1
  Sm  Sm21  1  0.124328  0.242717  0.259588  1
  Sm  Sm22  1  0.767149  0.584615  0.283045  1
  Sm  Sm23  1  0.087259  0.420224  0.311396  1
  Sm  Sm24  1  0.745813  0.756717  0.335236  1
  Sm  Sm25  1  0.413438  0.255916  0.335418  1
  Sm  Sm26  1  0.092720  0.594759  0.284221  1
  Sm  Sm27  1  0.750138  0.919559  0.310762  1
  Sm  Sm28  1  0.416323  0.434082  0.309796  1
  Sm  Sm29  1  0.121698  0.745334  0.259489  1
  Sm  Sm30  1  0.763433  0.073004  0.284439  1
  Sm  Sm31  1  0.434024  0.597830  0.282051  1
  Sm  Sm32  1  0.084141  0.923373  0.310384  1
  Sm  Sm33  1  0.456470  0.757191  0.260340  1
  Sm  Sm34  1  0.094215  0.094343  0.283721  1
  Sm  Sm35  1  0.416220  0.937690  0.308818  1
  Sm  Sm36  1  0.436843  0.102119  0.280622  1
  Sm  Sm37  1  0.662758  0.411325  0.275470  1
  Sm  Sm38  1  0.655289  0.565330  0.328332  1
  Sm  Sm39  1  0.017042  0.379055  0.277635  1
  Sm  Sm40  1  0.673046  0.717783  0.307176  1
  Sm  Sm41  1  0.997505  0.549269  0.329584  1
  Sm  Sm42  1  0.667757  0.899435  0.277443  1
  Sm  Sm43  1  0.345622  0.390840  0.278099  1
  Sm  Sm44  1  1.002343  0.714274  0.306063  1
  Sm  Sm45  1  0.662900  0.055894  0.330204  1
  Sm  Sm46  1  0.324243  0.560067  0.326695  1
  Sm  Sm47  1  0.013193  0.875504  0.276768  1
  Sm  Sm48  1  0.672729  0.219948  0.303707  1
  Sm  Sm49  1  0.340528  0.715400  0.306636  1
  Sm  Sm50  1  0.996441  0.050115  0.330683  1
  Sm  Sm51  1  0.345732  0.883119  0.276928  1
  Sm  Sm52  1  1.000113  0.214388  0.302646  1
  Sm  Sm53  1  0.326542  0.051575  0.329334  1
  Sm  Sm54  1  0.336893  0.214354  0.301926  1
  Sm  Sm55  1  0.835766  0.136981  0.315827  1
  Sm  Sm56  1  0.832471  0.315331  0.285234  1
  Sm  Sm57  1  0.169901  0.140802  0.317934  1
  Sm  Sm58  1  0.863100  0.462909  0.263951  1
  Sm  Sm59  1  0.178186  0.335145  0.282555  1
  Sm  Sm60  1  0.836007  0.641949  0.313183  1
  Sm  Sm61  1  0.503463  0.163421  0.309677  1
  Sm  Sm62  1  0.185675  0.510718  0.257592  1
  Sm  Sm63  1  0.841023  0.821441  0.284366  1
  Sm  Sm64  1  0.508840  0.349037  0.280676  1
  Sm  Sm65  1  0.167894  0.643113  0.318229  1
  Sm  Sm66  1  0.854704  1.005268  0.257578  1
  Sm  Sm67  1  0.531252  0.515107  0.256283  1
  Sm  Sm68  1  0.174441  0.838051  0.283363  1
  Sm  Sm69  1  0.502502  0.649631  0.318146  1
  Sm  Sm70  1  0.190883  1.002312  0.257990  1
  Sm  Sm71  1  0.507752  0.857003  0.282393  1
  Sm  Sm72  1  0.539795  1.003140  0.255887  1
  Sm  Sm73  1  0.907221  0.095042  0.363386  1
  Sm  Sm74  1  0.890183  0.266884  0.412080  1
  Sm  Sm75  1  0.240352  0.092330  0.364144  1
  Sm  Sm76  1  0.898230  0.430250  0.387496  1
  Sm  Sm77  1  0.224279  0.267681  0.412789  1
  Sm  Sm78  1  0.906607  0.592724  0.362775  1
  Sm  Sm79  1  0.572793  0.098116  0.362728  1
  Sm  Sm80  1  0.231203  0.432023  0.386592  1
  Sm  Sm81  1  0.912002  0.756949  0.336136  1
  Sm  Sm82  1  0.578380  0.263143  0.334964  1
  Sm  Sm83  1  0.239812  0.592459  0.362753  1
  Sm  Sm84  1  0.896953  0.932145  0.386814  1
  Sm  Sm85  1  0.564226  0.435326  0.387636  1
  Sm  Sm86  1  0.243685  0.758319  0.335687  1
  Sm  Sm87  1  0.572638  0.598779  0.364497  1
  Sm  Sm88  1  0.230194  0.931116  0.386784  1
  Sm  Sm89  1  0.575933  0.766190  0.336486  1
  Sm  Sm90  1  0.565624  0.931400  0.388779  1
  Sm  Sm91  1  0.746127  0.259145  0.334289  1
  Sm  Sm92  1  0.730664  0.431641  0.386605  1
  Sm  Sm93  1  0.078558  0.255351  0.335644  1
  Sm  Sm94  1  0.737675  0.595126  0.361564  1
  Sm  Sm95  1  0.065930  0.428888  0.387974  1
  Sm  Sm96  1  0.725259  0.764543  0.413386  1
  Sm  Sm97  1  0.391455  0.267785  0.412103  1
  Sm  Sm98  1  0.072091  0.594170  0.361802  1
  Sm  Sm99  1  0.732773  0.929186  0.387748  1
  Sm  Sm100  1  0.397847  0.434624  0.386460  1
  Sm  Sm101  1  0.076896  0.759260  0.336091  1
  Sm  Sm102  1  0.737719  0.096616  0.361216  1
  Sm  Sm103  1  0.405315  0.598115  0.360892  1
  Sm  Sm104  1  0.065615  0.928768  0.387622  1
  Sm  Sm105  1  0.412240  0.762909  0.335384  1
  Sm  Sm106  1  0.069780  0.096586  0.361345  1
  Sm  Sm107  1  0.398537  0.931807  0.386939  1
  Sm  Sm108  1  0.402994  0.097579  0.360780  1
  Sm  Sm109  1  0.659075  0.389108  0.356946  1
  Sm  Sm110  1  0.642507  0.562151  0.407856  1
  Sm  Sm111  1  0.994007  0.385600  0.357562  1
  Sm  Sm112  1  0.648542  0.728239  0.381978  1
  Sm  Sm113  1  0.976071  0.559406  0.407704  1
  Sm  Sm114  1  0.659624  0.889149  0.358133  1
  Sm  Sm115  1  0.326360  0.387488  0.355796  1
  Sm  Sm116  1  0.982391  0.725498  0.381795  1
  Sm  Sm117  1  0.642831  0.062883  0.407627  1
  Sm  Sm118  1  0.309045  0.561024  0.406516  1
  Sm  Sm119  1  0.990906  0.888687  0.356292  1
  Sm  Sm120  1  0.648520  0.229117  0.381168  1
  Sm  Sm121  1  0.315363  0.726541  0.381101  1
  Sm  Sm122  1  0.976442  0.058218  0.408550  1
  Sm  Sm123  1  0.325917  0.886800  0.357439  1
  Sm  Sm124  1  0.980889  0.225768  0.380406  1
  Sm  Sm125  1  0.309753  0.062041  0.407420  1
  Sm  Sm126  1  0.315759  0.227559  0.380096  1
  Sm  Sm127  1  0.812967  0.140221  0.391832  1
  Sm  Sm128  1  0.818790  0.307100  0.365623  1
  Sm  Sm129  1  0.146339  0.138905  0.392850  1
  Sm  Sm130  1  0.827619  0.470129  0.339663  1
  Sm  Sm131  1  0.154040  0.304773  0.365913  1
  Sm  Sm132  1  0.813498  0.638295  0.391574  1
  Sm  Sm133  1  0.480850  0.142054  0.390948  1
  Sm  Sm134  1  0.161415  0.470921  0.340151  1
  Sm  Sm135  1  0.821116  0.803493  0.365904  1
  Sm  Sm136  1  0.486312  0.311277  0.364409  1
  Sm  Sm137  1  0.145930  0.640216  0.392787  1
  Sm  Sm138  1  0.827554  0.969518  0.340151  1
  Sm  Sm139  1  0.494601  0.477795  0.340007  1
  Sm  Sm140  1  0.153565  0.806215  0.365482  1
  Sm  Sm141  1  0.479593  0.644061  0.392578  1
  Sm  Sm142  1  0.159839  0.973030  0.340278  1
  Sm  Sm143  1  0.486442  0.814063  0.363670  1
  Sm  Sm144  1  0.494759  0.986497  0.338767  1
  Sm  Sm145  1  0.883318  0.101301  0.439024  1
  Sm  Sm146  1  0.868190  0.271670  0.489954  1
  Sm  Sm147  1  0.217232  0.101214  0.439026  1
  Sm  Sm148  1  0.875801  0.436151  0.464725  1
  Sm  Sm149  1  0.202181  0.272174  0.489712  1
  Sm  Sm150  1  0.883345  0.600818  0.438774  1
  Sm  Sm151  1  0.550647  0.103539  0.438672  1
  Sm  Sm152  1  0.209380  0.437020  0.464121  1
  Sm  Sm153  1  0.890843  0.766456  0.413345  1
  Sm  Sm154  1  0.556570  0.270224  0.412179  1
  Sm  Sm155  1  0.216847  0.601071  0.438724  1
  Sm  Sm156  1  0.875567  0.936313  0.464590  1
  Sm  Sm157  1  0.542281  0.438209  0.464493  1
  Sm  Sm158  1  0.223719  0.766656  0.413146  1
  Sm  Sm159  1  0.550493  0.601851  0.439798  1
  Sm  Sm160  1  0.208820  0.936807  0.464272  1
  Sm  Sm161  1  0.556640  0.768112  0.413768  1
  Sm  Sm162  1  0.542357  0.938731  0.464247  1
  Sm  Sm163  1  0.724329  0.266294  0.413006  1
  Sm  Sm164  1  0.709185  0.437226  0.464463  1
  Sm  Sm165  1  0.057258  0.264447  0.413446  1
  Sm  Sm166  1  0.716426  0.601554  0.438488  1
  Sm  Sm167  1  0.042491  0.435428  0.464865  1
  Sm  Sm168  1  0.702346  0.771785  0.490175  1
  Sm  Sm169  1  0.369045  0.272196  0.489265  1
  Sm  Sm170  1  0.049949  0.600160  0.438851  1
  Sm  Sm171  1  0.709758  0.936659  0.464478  1
  Sm  Sm172  1  0.375772  0.438140  0.463815  1
  Sm  Sm173  1  0.056403  0.766195  0.413625  1
  Sm  Sm174  1  0.716317  0.102606  0.438562  1
  Sm  Sm175  1  0.382917  0.603108  0.437931  1
  Sm  Sm176  1  0.042408  0.935223  0.464894  1
  Sm  Sm177  1  0.390488  0.768116  0.413330  1
  Sm  Sm178  1  0.049388  0.100954  0.438952  1
  Sm  Sm179  1  0.375960  0.937959  0.464092  1
  Sm  Sm180  1  0.383266  0.103205  0.437837  1
  Sm  Sm181  1  0.634832  0.396504  0.433557  1
  Sm  Sm182  1  0.620143  0.566326  0.485291  1
  Sm  Sm183  1  0.967996  0.394260  0.433617  1
  Sm  Sm184  1  0.627281  0.731944  0.459530  1
  Sm  Sm185  1  0.953412  0.564272  0.485188  1
  Sm  Sm186  1  0.635485  0.896669  0.433936  1
  Sm  Sm187  1  0.301619  0.395410  0.432608  1
  Sm  Sm188  1  0.960822  0.729291  0.459659  1
  Sm  Sm189  1  0.620354  0.066182  0.485011  1
  Sm  Sm190  1  0.286789  0.565569  0.484375  1
  Sm  Sm191  1  0.967294  0.894904  0.433501  1
  Sm  Sm192  1  0.627039  0.231758  0.459066  1
  Sm  Sm193  1  0.293975  0.730599  0.459038  1
  Sm  Sm194  1  0.953265  0.064240  0.485483  1
  Sm  Sm195  1  0.300976  0.896033  0.433194  1
  Sm  Sm196  1  0.960219  0.229627  0.459082  1
  Sm  Sm197  1  0.287083  0.065339  0.484919  1
  Sm  Sm198  1  0.294356  0.230600  0.458901  1
  Sm  Sm199  1  0.791264  0.143470  0.469720  1
  Sm  Sm200  1  0.798222  0.309111  0.443501  1
  Sm  Sm201  1  0.124295  0.143044  0.469730  1
  Sm  Sm202  1  0.805882  0.474039  0.417869  1
  Sm  Sm203  1  0.132095  0.307860  0.443658  1
  Sm  Sm204  1  0.791387  0.642906  0.469672  1
  Sm  Sm205  1  0.458293  0.144965  0.468618  1
  Sm  Sm206  1  0.139504  0.473515  0.418146  1
  Sm  Sm207  1  0.799141  0.807810  0.444004  1
  Sm  Sm208  1  0.465067  0.311103  0.442760  1
  Sm  Sm209  1  0.124210  0.643083  0.469954  1
  Sm  Sm210  1  0.805734  0.974453  0.417882  1
  Sm  Sm211  1  0.472485  0.476656  0.417738  1
  Sm  Sm212  1  0.131802  0.808052  0.443722  1
  Sm  Sm213  1  0.457470  0.645433  0.469421  1
  Sm  Sm214  1  0.138609  0.974008  0.417967  1
  Sm  Sm215  1  0.465316  0.811047  0.443083  1
  Sm  Sm216  1  0.472761  0.976918  0.416758  1
  Sm  Sm217  1  0.861492  0.106476  0.516353  1
  Sm  Sm218  1  0.846086  0.276923  0.567410  1
  Sm  Sm219  1  0.194887  0.107134  0.515583  1
  Sm  Sm220  1  0.853532  0.442081  0.541912  1
  Sm  Sm221  1  0.181047  0.277668  0.566581  1
  Sm  Sm222  1  0.861197  0.606554  0.516067  1
  Sm  Sm223  1  0.528232  0.108415  0.515613  1
  Sm  Sm224  1  0.186844  0.443224  0.540709  1
  Sm  Sm225  1  0.868753  0.771172  0.490866  1
  Sm  Sm226  1  0.534772  0.273716  0.489552  1
  Sm  Sm227  1  0.194880  0.606834  0.515787  1
  Sm  Sm228  1  0.853190  0.942046  0.541696  1
  Sm  Sm229  1  0.519769  0.443725  0.541236  1
  Sm  Sm230  1  0.201737  0.771784  0.490054  1
  Sm  Sm231  1  0.527670  0.608266  0.515864  1
  Sm  Sm232  1  0.186622  0.942306  0.540987  1
  Sm  Sm233  1  0.535111  0.773264  0.490226  1
  Sm  Sm234  1  0.519780  0.944163  0.540551  1
  Sm  Sm235  1  0.701809  0.272436  0.490033  1
  Sm  Sm236  1  0.686875  0.443166  0.541600  1
  Sm  Sm237  1  0.034666  0.270856  0.490518  1
  Sm  Sm238  1  0.694504  0.607702  0.515708  1
  Sm  Sm239  1  0.020713  0.440647  0.542287  1
  Sm  Sm240  1  0.679669  0.778219  0.567175  1
  Sm  Sm241  1  0.346974  0.277775  0.566504  1
  Sm  Sm242  1  0.027898  0.605540  0.516214  1
  Sm  Sm243  1  0.687274  0.941681  0.541670  1
  Sm  Sm244  1  0.353818  0.442801  0.541059  1
  Sm  Sm245  1  0.034711  0.770873  0.490921  1
  Sm  Sm246  1  0.693910  0.108046  0.515840  1
  Sm  Sm247  1  0.360962  0.607978  0.515512  1
  Sm  Sm248  1  0.020388  0.939937  0.542317  1
  Sm  Sm249  1  0.368073  0.773451  0.489998  1
  Sm  Sm250  1  0.027111  0.106011  0.516305  1
  Sm  Sm251  1  0.354027  0.942580  0.541488  1
  Sm  Sm252  1  0.361455  0.107703  0.515415  1
  Sm  Sm253  1  0.612271  0.401235  0.510888  1
  Sm  Sm254  1  0.597058  0.570109  0.562782  1
  Sm  Sm255  1  0.945730  0.399735  0.511035  1
  Sm  Sm256  1  0.604978  0.735405  0.536940  1
  Sm  Sm257  1  0.931090  0.568880  0.562749  1
  Sm  Sm258  1  0.612676  0.900838  0.510636  1
  Sm  Sm259  1  0.279661  0.400104  0.510099  1
  Sm  Sm260  1  0.938788  0.733927  0.537232  1
  Sm  Sm261  1  0.598001  0.069331  0.562398  1
  Sm  Sm262  1  0.264841  0.568763  0.562155  1
  Sm  Sm263  1  0.945610  0.899508  0.511154  1
  Sm  Sm264  1  0.604416  0.236048  0.536498  1
  Sm  Sm265  1  0.271566  0.735056  0.536375  1
  Sm  Sm266  1  0.931372  0.068465  0.563235  1
  Sm  Sm267  1  0.278943  0.900808  0.510714  1
  Sm  Sm268  1  0.937868  0.234821  0.536787  1
  Sm  Sm269  1  0.264737  0.069207  0.562538  1
  Sm  Sm270  1  0.272192  0.234636  0.536389  1
  Sm  Sm271  1  0.769194  0.148512  0.547035  1
  Sm  Sm272  1  0.776172  0.313523  0.521035  1
  Sm  Sm273  1  0.101697  0.147795  0.546553  1
  Sm  Sm274  1  0.783601  0.478419  0.495519  1
  Sm  Sm275  1  0.109953  0.312607  0.520998  1
  Sm  Sm276  1  0.768948  0.648463  0.547050  1
  Sm  Sm277  1  0.436142  0.148977  0.546182  1
  Sm  Sm278  1  0.116875  0.477792  0.495462  1
  Sm  Sm279  1  0.776729  0.813120  0.521619  1
  Sm  Sm280  1  0.442932  0.314770  0.520433  1
  Sm  Sm281  1  0.102107  0.647799  0.547305  1
  Sm  Sm282  1  0.783406  0.978869  0.495299  1
  Sm  Sm283  1  0.449945  0.479982  0.494940  1
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