# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   37.05250528
_cell_length_b   15.40326593
_cell_length_c   46.08617387
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.97815062
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm324
_cell_volume   25403.9010705
_cell_formula_units_Z   324
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  0.637495  0.612894  0.295483  1
  Sm  Sm2  1  0.304161  0.612894  0.295483  1
  Sm  Sm3  1  0.623816  0.226679  0.282176  1
  Sm  Sm4  1  0.970828  0.612894  0.295483  1
  Sm  Sm5  1  0.290483  0.226679  0.282176  1
  Sm  Sm6  1  0.619962  0.015858  0.313708  1
  Sm  Sm7  1  0.957149  0.226679  0.282176  1
  Sm  Sm8  1  0.286629  0.015858  0.313708  1
  Sm  Sm9  1  0.953295  0.015858  0.313708  1
  Sm  Sm10  1  0.767671  0.530612  0.306911  1
  Sm  Sm11  1  0.434338  0.530612  0.306911  1
  Sm  Sm12  1  0.785729  0.131301  0.296871  1
  Sm  Sm13  1  0.101005  0.530612  0.306911  1
  Sm  Sm14  1  0.452396  0.131301  0.296871  1
  Sm  Sm15  1  0.794969  0.733811  0.281896  1
  Sm  Sm16  1  0.119063  0.131301  0.296871  1
  Sm  Sm17  1  0.461635  0.733811  0.281896  1
  Sm  Sm18  1  0.128302  0.733811  0.281896  1
  Sm  Sm19  1  0.862048  0.324444  0.305820  1
  Sm  Sm20  1  0.528715  0.324444  0.305820  1
  Sm  Sm21  1  0.870639  0.924250  0.289568  1
  Sm  Sm22  1  0.195382  0.324444  0.305820  1
  Sm  Sm23  1  0.537306  0.924250  0.289568  1
  Sm  Sm24  1  0.877368  0.525199  0.274874  1
  Sm  Sm25  1  0.203973  0.924250  0.289568  1
  Sm  Sm26  1  0.544035  0.525199  0.274874  1
  Sm  Sm27  1  0.210702  0.525199  0.274874  1
  Sm  Sm28  1  0.700357  0.752620  0.314691  1
  Sm  Sm29  1  0.367023  0.752620  0.314691  1
  Sm  Sm30  1  0.700392  0.343644  0.301494  1
  Sm  Sm31  1  0.033690  0.752620  0.314691  1
  Sm  Sm32  1  0.367059  0.343644  0.301494  1
  Sm  Sm33  1  0.711416  0.963864  0.280045  1
  Sm  Sm34  1  0.033725  0.343644  0.301494  1
  Sm  Sm35  1  0.378082  0.963864  0.280045  1
  Sm  Sm36  1  0.044749  0.963864  0.280045  1
  Sm  Sm37  1  0.612113  0.819140  0.348013  1
  Sm  Sm38  1  0.278779  0.819140  0.348013  1
  Sm  Sm39  1  0.610221  0.428122  0.332417  1
  Sm  Sm40  1  0.945446  0.819140  0.348013  1
  Sm  Sm41  1  0.276888  0.428122  0.332417  1
  Sm  Sm42  1  0.609737  0.222719  0.363406  1
  Sm  Sm43  1  0.943554  0.428122  0.332417  1
  Sm  Sm44  1  0.276404  0.222719  0.363406  1
  Sm  Sm45  1  0.943070  0.222719  0.363406  1
  Sm  Sm46  1  0.774806  0.721520  0.363780  1
  Sm  Sm47  1  0.441472  0.721520  0.363780  1
  Sm  Sm48  1  0.778601  0.326056  0.348736  1
  Sm  Sm49  1  0.108139  0.721520  0.363780  1
  Sm  Sm50  1  0.445268  0.326056  0.348736  1
  Sm  Sm51  1  0.783262  0.922833  0.332601  1
  Sm  Sm52  1  0.111935  0.326056  0.348736  1
  Sm  Sm53  1  0.449928  0.922833  0.332601  1
  Sm  Sm54  1  0.116595  0.922833  0.332601  1
  Sm  Sm55  1  0.853410  0.527173  0.354509  1
  Sm  Sm56  1  0.520077  0.527173  0.354509  1
  Sm  Sm57  1  0.864852  0.123720  0.340120  1
  Sm  Sm58  1  0.186743  0.527173  0.354509  1
  Sm  Sm59  1  0.531518  0.123720  0.340120  1
  Sm  Sm60  1  0.871966  0.718865  0.324903  1
  Sm  Sm61  1  0.198185  0.123720  0.340120  1
  Sm  Sm62  1  0.538632  0.718865  0.324903  1
  Sm  Sm63  1  0.205299  0.718865  0.324903  1
  Sm  Sm64  1  0.691771  0.929703  0.369476  1
  Sm  Sm65  1  0.358437  0.929703  0.369476  1
  Sm  Sm66  1  0.693259  0.530516  0.355790  1
  Sm  Sm67  1  0.025104  0.929703  0.369476  1
  Sm  Sm68  1  0.359925  0.530516  0.355790  1
  Sm  Sm69  1  0.698514  0.132416  0.337436  1
  Sm  Sm70  1  0.026592  0.530516  0.355790  1
  Sm  Sm71  1  0.365181  0.132416  0.337436  1
  Sm  Sm72  1  0.031847  0.132416  0.337436  1
  Sm  Sm73  1  0.604743  0.028179  0.397081  1
  Sm  Sm74  1  0.271410  0.028179  0.397081  1
  Sm  Sm75  1  0.605211  0.625624  0.381878  1
  Sm  Sm76  1  0.938076  0.028179  0.397081  1
  Sm  Sm77  1  0.271878  0.625624  0.381878  1
  Sm  Sm78  1  0.600519  0.430207  0.413148  1
  Sm  Sm79  1  0.938544  0.625624  0.381878  1
  Sm  Sm80  1  0.267185  0.430207  0.413148  1
  Sm  Sm81  1  0.933852  0.430207  0.413148  1
  Sm  Sm82  1  0.767700  0.929485  0.412967  1
  Sm  Sm83  1  0.434367  0.929485  0.412967  1
  Sm  Sm84  1  0.770850  0.527430  0.397469  1
  Sm  Sm85  1  0.101034  0.929485  0.412967  1
  Sm  Sm86  1  0.437516  0.527430  0.397469  1
  Sm  Sm87  1  0.774793  0.126516  0.381845  1
  Sm  Sm88  1  0.104183  0.527430  0.397469  1
  Sm  Sm89  1  0.441460  0.126516  0.381845  1
  Sm  Sm90  1  0.108127  0.126516  0.381845  1
  Sm  Sm91  1  0.851603  0.732312  0.405066  1
  Sm  Sm92  1  0.518270  0.732312  0.405066  1
  Sm  Sm93  1  0.856757  0.327776  0.390389  1
  Sm  Sm94  1  0.184936  0.732312  0.405066  1
  Sm  Sm95  1  0.523424  0.327776  0.390389  1
  Sm  Sm96  1  0.859360  0.929885  0.373247  1
  Sm  Sm97  1  0.190090  0.327776  0.390389  1
  Sm  Sm98  1  0.526027  0.929885  0.373247  1
  Sm  Sm99  1  0.192693  0.929885  0.373247  1
  Sm  Sm100  1  0.683552  0.130772  0.420220  1
  Sm  Sm101  1  0.350219  0.130772  0.420220  1
  Sm  Sm102  1  0.686151  0.730959  0.403323  1
  Sm  Sm103  1  0.016885  0.130772  0.420220  1
  Sm  Sm104  1  0.352818  0.730959  0.403323  1
  Sm  Sm105  1  0.688238  0.328028  0.387878  1
  Sm  Sm106  1  0.019485  0.730959  0.403323  1
  Sm  Sm107  1  0.354904  0.328028  0.387878  1
  Sm  Sm108  1  0.021571  0.328028  0.387878  1
  Sm  Sm109  1  0.596137  0.232969  0.446649  1
  Sm  Sm110  1  0.262804  0.232969  0.446649  1
  Sm  Sm111  1  0.598505  0.832145  0.430297  1
  Sm  Sm112  1  0.929471  0.232969  0.446649  1
  Sm  Sm113  1  0.265171  0.832145  0.430297  1
  Sm  Sm114  1  0.591800  0.634870  0.463078  1
  Sm  Sm115  1  0.931838  0.832145  0.430297  1
  Sm  Sm116  1  0.258466  0.634870  0.463078  1
  Sm  Sm117  1  0.925133  0.634870  0.463078  1
  Sm  Sm118  1  0.759439  0.134544  0.463243  1
  Sm  Sm119  1  0.426105  0.134544  0.463243  1
  Sm  Sm120  1  0.762130  0.733844  0.446573  1
  Sm  Sm121  1  0.092772  0.134544  0.463243  1
  Sm  Sm122  1  0.428797  0.733844  0.446573  1
  Sm  Sm123  1  0.764828  0.332476  0.430059  1
  Sm  Sm124  1  0.095464  0.733844  0.446573  1
  Sm  Sm125  1  0.431495  0.332476  0.430059  1
  Sm  Sm126  1  0.098161  0.332476  0.430059  1
  Sm  Sm127  1  0.843771  0.935452  0.455728  1
  Sm  Sm128  1  0.510438  0.935452  0.455728  1
  Sm  Sm129  1  0.846457  0.534741  0.438861  1
  Sm  Sm130  1  0.177105  0.935452  0.455728  1
  Sm  Sm131  1  0.513124  0.534741  0.438861  1
  Sm  Sm132  1  0.850098  0.133143  0.422851  1
  Sm  Sm133  1  0.179790  0.534741  0.438861  1
  Sm  Sm134  1  0.516765  0.133143  0.422851  1
  Sm  Sm135  1  0.183432  0.133143  0.422851  1
  Sm  Sm136  1  0.674590  0.334513  0.470259  1
  Sm  Sm137  1  0.341257  0.334513  0.470259  1
  Sm  Sm138  1  0.677934  0.933469  0.453405  1
  Sm  Sm139  1  0.007923  0.334513  0.470259  1
  Sm  Sm140  1  0.344601  0.933469  0.453405  1
  Sm  Sm141  1  0.680281  0.532764  0.437351  1
  Sm  Sm142  1  0.011267  0.933469  0.453405  1
  Sm  Sm143  1  0.346947  0.532764  0.437351  1
  Sm  Sm144  1  0.013614  0.532764  0.437351  1
  Sm  Sm145  1  0.587058  0.437665  0.496196  1
  Sm  Sm146  1  0.253724  0.437665  0.496196  1
  Sm  Sm147  1  0.590090  0.036143  0.479723  1
  Sm  Sm148  1  0.920391  0.437665  0.496196  1
  Sm  Sm149  1  0.256757  0.036143  0.479723  1
  Sm  Sm150  1  0.584025  0.839186  0.512669  1
  Sm  Sm151  1  0.923423  0.036143  0.479723  1
  Sm  Sm152  1  0.250692  0.839186  0.512669  1
  Sm  Sm153  1  0.917359  0.839186  0.512669  1
  Sm  Sm154  1  0.750661  0.338913  0.512751  1
  Sm  Sm155  1  0.417328  0.338913  0.512751  1
  Sm  Sm156  1  0.753724  0.937665  0.496196  1
  Sm  Sm157  1  0.083994  0.338913  0.512751  1
  Sm  Sm158  1  0.420391  0.937665  0.496196  1
  Sm  Sm159  1  0.756787  0.536417  0.479641  1
  Sm  Sm160  1  0.087058  0.937665  0.496196  1
  Sm  Sm161  1  0.423454  0.536417  0.479641  1
  Sm  Sm162  1  0.090121  0.536417  0.479641  1
  Sm  Sm163  1  0.835522  0.139159  0.505909  1
  Sm  Sm164  1  0.502189  0.139159  0.505909  1
  Sm  Sm165  1  0.837971  0.738487  0.488960  1
  Sm  Sm166  1  0.168856  0.139159  0.505909  1
  Sm  Sm167  1  0.504638  0.738487  0.488960  1
  Sm  Sm168  1  0.841206  0.336701  0.472625  1
  Sm  Sm169  1  0.171305  0.738487  0.488960  1
  Sm  Sm170  1  0.507872  0.336701  0.472625  1
  Sm  Sm171  1  0.174539  0.336701  0.472625  1
  Sm  Sm172  1  0.666243  0.538628  0.519768  1
  Sm  Sm173  1  0.332910  0.538628  0.519768  1
  Sm  Sm174  1  0.669477  0.136843  0.503432  1
  Sm  Sm175  1  0.999576  0.538628  0.519768  1
  Sm  Sm176  1  0.336144  0.136843  0.503432  1
  Sm  Sm177  1  0.671926  0.736170  0.486484  1
  Sm  Sm178  1  0.002810  0.136843  0.503432  1
  Sm  Sm179  1  0.338593  0.736170  0.486484  1
  Sm  Sm180  1  0.005260  0.736170  0.486484  1
  Sm  Sm181  1  0.577978  0.642360  0.545744  1
  Sm  Sm182  1  0.244644  0.642360  0.545744  1
  Sm  Sm183  1  0.582315  0.240459  0.529314  1
  Sm  Sm184  1  0.911311  0.642360  0.545744  1
  Sm  Sm185  1  0.248982  0.240459  0.529314  1
  Sm  Sm186  1  0.575610  0.043184  0.562096  1
  Sm  Sm187  1  0.915649  0.240459  0.529314  1
  Sm  Sm188  1  0.242277  0.043184  0.562096  1
  Sm  Sm189  1  0.908944  0.043184  0.562096  1
  Sm  Sm190  1  0.742621  0.542854  0.562333  1
  Sm  Sm191  1  0.409287  0.542854  0.562333  1
  Sm  Sm192  1  0.745318  0.141485  0.545820  1
  Sm  Sm193  1  0.075954  0.542854  0.562333  1
  Sm  Sm194  1  0.411985  0.141485  0.545820  1
  Sm  Sm195  1  0.748010  0.740786  0.529150  1
  Sm  Sm196  1  0.078652  0.141485  0.545820  1
  Sm  Sm197  1  0.414676  0.740786  0.529150  1
  Sm  Sm198  1  0.081343  0.740786  0.529150  1
  Sm  Sm199  1  0.827168  0.342565  0.555042  1
  Sm  Sm200  1  0.493835  0.342565  0.555042  1
  Sm  Sm201  1  0.829515  0.941860  0.538987  1
  Sm  Sm202  1  0.160501  0.342565  0.555042  1
  Sm  Sm203  1  0.496181  0.941860  0.538987  1
  Sm  Sm204  1  0.832859  0.540816  0.522134  1
  Sm  Sm205  1  0.162848  0.941860  0.538987  1
  Sm  Sm206  1  0.499525  0.540816  0.522134  1
  Sm  Sm207  1  0.166192  0.540816  0.522134  1
  Sm  Sm208  1  0.657350  0.742187  0.569542  1
  Sm  Sm209  1  0.324017  0.742187  0.569542  1
  Sm  Sm210  1  0.660992  0.340589  0.553532  1
  Sm  Sm211  1  0.990684  0.742187  0.569542  1
  Sm  Sm212  1  0.327658  0.340589  0.553532  1
  Sm  Sm213  1  0.663677  0.939878  0.536665  1
  Sm  Sm214  1  0.994325  0.340589  0.553532  1
  Sm  Sm215  1  0.330344  0.939878  0.536665  1
  Sm  Sm216  1  0.997011  0.939878  0.536665  1
  Sm  Sm217  1  0.569372  0.847151  0.595312  1
  Sm  Sm218  1  0.236039  0.847151  0.595312  1
  Sm  Sm219  1  0.573596  0.445122  0.579245  1
  Sm  Sm220  1  0.902705  0.847151  0.595312  1
  Sm  Sm221  1  0.240263  0.445122  0.579245  1
  Sm  Sm222  1  0.568904  0.249706  0.610514  1
  Sm  Sm223  1  0.906930  0.445122  0.579245  1
  Sm  Sm224  1  0.235571  0.249706  0.610514  1
  Sm  Sm225  1  0.902237  0.249706  0.610514  1
  Sm  Sm226  1  0.732655  0.748813  0.610548  1
  Sm  Sm227  1  0.399322  0.748813  0.610548  1
  Sm  Sm228  1  0.736599  0.347900  0.594924  1
  Sm  Sm229  1  0.065989  0.748813  0.610548  1
  Sm  Sm230  1  0.403265  0.347900  0.594924  1
  Sm  Sm231  1  0.739748  0.945844  0.579426  1
  Sm  Sm232  1  0.069932  0.347900  0.594924  1
  Sm  Sm233  1  0.406415  0.945844  0.579426  1
  Sm  Sm234  1  0.073081  0.945844  0.579426  1
  Sm  Sm235  1  0.819211  0.547301  0.604515  1
  Sm  Sm236  1  0.485877  0.547301  0.604515  1
  Sm  Sm237  1  0.821297  0.144370  0.589070  1
  Sm  Sm238  1  0.152544  0.547301  0.604515  1
  Sm  Sm239  1  0.487964  0.144370  0.589070  1
  Sm  Sm240  1  0.823896  0.744558  0.572173  1
  Sm  Sm241  1  0.154630  0.144370  0.589070  1
  Sm  Sm242  1  0.490563  0.744558  0.572173  1
  Sm  Sm243  1  0.157230  0.744558  0.572173  1
  Sm  Sm244  1  0.648089  0.945444  0.619146  1
  Sm  Sm245  1  0.314755  0.945444  0.619146  1
  Sm  Sm246  1  0.650691  0.547554  0.602003  1
  Sm  Sm247  1  0.981422  0.945444  0.619146  1
  Sm  Sm248  1  0.317358  0.547554  0.602003  1
  Sm  Sm249  1  0.655845  0.143017  0.587327  1
  Sm  Sm250  1  0.984025  0.547554  0.602003  1
  Sm  Sm251  1  0.322512  0.143017  0.587327  1
  Sm  Sm252  1  0.989179  0.143017  0.587327  1
  Sm  Sm253  1  0.562003  0.056189  0.644380  1
  Sm  Sm254  1  0.228669  0.056189  0.644380  1
  Sm  Sm255  1  0.564378  0.652611  0.628986  1
  Sm  Sm256  1  0.895336  0.056189  0.644380  1
  Sm  Sm257  1  0.231045  0.652611  0.628986  1
  Sm  Sm258  1  0.563894  0.447208  0.659975  1
  Sm  Sm259  1  0.897711  0.652611  0.628986  1
  Sm  Sm260  1  0.230561  0.447208  0.659975  1
  Sm  Sm261  1  0.897228  0.447208  0.659975  1
  Sm  Sm262  1  0.724187  0.952496  0.659792  1
  Sm  Sm263  1  0.390853  0.952496  0.659792  1
  Sm  Sm264  1  0.728847  0.549273  0.643657  1
  Sm  Sm265  1  0.057520  0.952496  0.659792  1
  Sm  Sm266  1  0.395514  0.549273  0.643657  1
  Sm  Sm267  1  0.732643  0.153809  0.628613  1
  Sm  Sm268  1  0.062180  0.549273  0.643657  1
  Sm  Sm269  1  0.399309  0.153809  0.628613  1
  Sm  Sm270  1  0.065976  0.153809  0.628613  1
  Sm  Sm271  1  0.808934  0.742913  0.654957  1
  Sm  Sm272  1  0.475601  0.742913  0.654957  1
  Sm  Sm273  1  0.814190  0.344813  0.636602  1
  Sm  Sm274  1  0.142268  0.742913  0.654957  1
  Sm  Sm275  1  0.480857  0.344813  0.636602  1
  Sm  Sm276  1  0.815678  0.945626  0.622917  1
  Sm  Sm277  1  0.147523  0.344813  0.636602  1
  Sm  Sm278  1  0.482344  0.945626  0.622917  1
  Sm  Sm279  1  0.149011  0.945626  0.622917  1
  Sm  Sm280  1  0.635483  0.156464  0.667490  1
  Sm  Sm281  1  0.302149  0.156464  0.667490  1
  Sm  Sm282  1  0.642597  0.751610  0.652272  1
  Sm  Sm283  1  0.968816  0.156464  0.667490  1
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