# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.15267900
_cell_length_b   12.32475900
_cell_length_c   48.07395694
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.50124876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm264
_cell_volume   21126.7682303
_cell_formula_units_Z   264
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  0.631806  0.969490  0.288916  1
  Sm  Sm2  1  0.956153  0.814223  0.314049  1
  Sm  Sm3  1  0.296896  0.886307  0.301575  1
  Sm  Sm4  1  0.631806  0.469490  0.288916  1
  Sm  Sm5  1  0.956153  0.314223  0.314049  1
  Sm  Sm6  1  0.296896  0.386307  0.301575  1
  Sm  Sm7  1  0.789663  0.892997  0.300734  1
  Sm  Sm8  1  0.128396  0.955342  0.289095  1
  Sm  Sm9  1  0.456483  0.813843  0.313489  1
  Sm  Sm10  1  0.789663  0.392997  0.300734  1
  Sm  Sm11  1  0.128396  0.455342  0.289095  1
  Sm  Sm12  1  0.456483  0.313843  0.313489  1
  Sm  Sm13  1  0.875435  0.646749  0.299529  1
  Sm  Sm14  1  0.214389  0.716639  0.287329  1
  Sm  Sm15  1  0.554055  0.802764  0.275067  1
  Sm  Sm16  1  0.875435  0.146749  0.299529  1
  Sm  Sm17  1  0.214389  0.216639  0.287329  1
  Sm  Sm18  1  0.554055  0.302764  0.275067  1
  Sm  Sm19  1  0.710907  0.149140  0.297381  1
  Sm  Sm20  1  0.048702  0.197288  0.290237  1
  Sm  Sm21  1  0.375508  0.067791  0.310713  1
  Sm  Sm22  1  0.710907  0.649140  0.297381  1
  Sm  Sm23  1  0.048702  0.697288  0.290237  1
  Sm  Sm24  1  0.375508  0.567791  0.310713  1
  Sm  Sm25  1  0.622963  0.726273  0.330679  1
  Sm  Sm26  1  0.951439  0.577487  0.354635  1
  Sm  Sm27  1  0.287692  0.649436  0.343539  1
  Sm  Sm28  1  0.622963  0.226273  0.330679  1
  Sm  Sm29  1  0.951439  0.077487  0.354635  1
  Sm  Sm30  1  0.287692  0.149436  0.343539  1
  Sm  Sm31  1  0.787434  0.652994  0.343073  1
  Sm  Sm32  1  0.125882  0.722044  0.330976  1
  Sm  Sm33  1  0.451144  0.575566  0.356671  1
  Sm  Sm34  1  0.787434  0.152994  0.343073  1
  Sm  Sm35  1  0.125882  0.222044  0.330976  1
  Sm  Sm36  1  0.451144  0.075566  0.356671  1
  Sm  Sm37  1  0.869293  0.417618  0.341479  1
  Sm  Sm38  1  0.207615  0.487450  0.328931  1
  Sm  Sm39  1  0.537536  0.569872  0.313732  1
  Sm  Sm40  1  0.869293  0.917618  0.341479  1
  Sm  Sm41  1  0.207615  0.987450  0.328931  1
  Sm  Sm42  1  0.537536  0.069872  0.313732  1
  Sm  Sm43  1  0.703478  0.894798  0.342564  1
  Sm  Sm44  1  0.039073  0.961809  0.329777  1
  Sm  Sm45  1  0.368991  0.816404  0.355872  1
  Sm  Sm46  1  0.703478  0.394798  0.342564  1
  Sm  Sm47  1  0.039073  0.461809  0.329777  1
  Sm  Sm48  1  0.368991  0.316404  0.355872  1
  Sm  Sm49  1  0.615061  0.496913  0.369984  1
  Sm  Sm50  1  0.946812  0.347340  0.394929  1
  Sm  Sm51  1  0.281186  0.418484  0.383717  1
  Sm  Sm52  1  0.615061  0.996913  0.369984  1
  Sm  Sm53  1  0.946812  0.847340  0.394929  1
  Sm  Sm54  1  0.281186  0.918484  0.383717  1
  Sm  Sm55  1  0.781530  0.420882  0.383007  1
  Sm  Sm56  1  0.116180  0.496644  0.369442  1
  Sm  Sm57  1  0.447041  0.343544  0.396343  1
  Sm  Sm58  1  0.781530  0.920882  0.383007  1
  Sm  Sm59  1  0.116180  0.996644  0.369442  1
  Sm  Sm60  1  0.447041  0.843544  0.396343  1
  Sm  Sm61  1  0.865578  0.191996  0.379970  1
  Sm  Sm62  1  0.200864  0.265521  0.367683  1
  Sm  Sm63  1  0.535358  0.341944  0.354525  1
  Sm  Sm64  1  0.865578  0.691996  0.379970  1
  Sm  Sm65  1  0.200864  0.765521  0.367683  1
  Sm  Sm66  1  0.535358  0.841944  0.354525  1
  Sm  Sm67  1  0.698044  0.655404  0.383254  1
  Sm  Sm68  1  0.032677  0.730636  0.369930  1
  Sm  Sm69  1  0.362961  0.577724  0.396903  1
  Sm  Sm70  1  0.698044  0.155404  0.383254  1
  Sm  Sm71  1  0.032677  0.230636  0.369930  1
  Sm  Sm72  1  0.362961  0.077724  0.396903  1
  Sm  Sm73  1  0.611205  0.267776  0.408854  1
  Sm  Sm74  1  0.940956  0.117077  0.434316  1
  Sm  Sm75  1  0.275978  0.189475  0.422377  1
  Sm  Sm76  1  0.611205  0.767776  0.408854  1
  Sm  Sm77  1  0.940956  0.617077  0.434316  1
  Sm  Sm78  1  0.275978  0.689475  0.422377  1
  Sm  Sm79  1  0.775708  0.192209  0.421644  1
  Sm  Sm80  1  0.110846  0.267492  0.408945  1
  Sm  Sm81  1  0.440552  0.115546  0.435195  1
  Sm  Sm82  1  0.775708  0.692209  0.421644  1
  Sm  Sm83  1  0.110846  0.767492  0.408945  1
  Sm  Sm84  1  0.440552  0.615546  0.435195  1
  Sm  Sm85  1  0.859612  0.964503  0.419116  1
  Sm  Sm86  1  0.194494  0.038764  0.406530  1
  Sm  Sm87  1  0.529862  0.115651  0.393147  1
  Sm  Sm88  1  0.859612  0.464503  0.419116  1
  Sm  Sm89  1  0.194494  0.538764  0.406530  1
  Sm  Sm90  1  0.529862  0.615651  0.393147  1
  Sm  Sm91  1  0.692029  0.423858  0.423026  1
  Sm  Sm92  1  0.027540  0.499625  0.410072  1
  Sm  Sm93  1  0.357113  0.346143  0.436760  1
  Sm  Sm94  1  0.692029  0.923858  0.423026  1
  Sm  Sm95  1  0.027540  0.999625  0.410072  1
  Sm  Sm96  1  0.357113  0.846143  0.436760  1
  Sm  Sm97  1  0.605147  0.039536  0.448430  1
  Sm  Sm98  1  0.934913  0.887309  0.474110  1
  Sm  Sm99  1  0.270104  0.961510  0.461886  1
  Sm  Sm100  1  0.605147  0.539536  0.448430  1
  Sm  Sm101  1  0.934913  0.387309  0.474110  1
  Sm  Sm102  1  0.270104  0.461510  0.461886  1
  Sm  Sm103  1  0.769866  0.963385  0.461010  1
  Sm  Sm104  1  0.105351  0.038015  0.448422  1
  Sm  Sm105  1  0.434749  0.886839  0.474714  1
  Sm  Sm106  1  0.769866  0.463385  0.461010  1
  Sm  Sm107  1  0.105351  0.538015  0.448422  1
  Sm  Sm108  1  0.434749  0.386839  0.474714  1
  Sm  Sm109  1  0.853718  0.734691  0.458839  1
  Sm  Sm110  1  0.189104  0.809257  0.446412  1
  Sm  Sm111  1  0.524297  0.887791  0.432925  1
  Sm  Sm112  1  0.853718  0.234691  0.458839  1
  Sm  Sm113  1  0.189104  0.309257  0.446412  1
  Sm  Sm114  1  0.524297  0.387791  0.432925  1
  Sm  Sm115  1  0.686396  0.193269  0.463011  1
  Sm  Sm116  1  0.021810  0.269204  0.450071  1
  Sm  Sm117  1  0.351373  0.115911  0.476753  1
  Sm  Sm118  1  0.686396  0.693269  0.463011  1
  Sm  Sm119  1  0.021810  0.769204  0.450071  1
  Sm  Sm120  1  0.351373  0.615911  0.476753  1
  Sm  Sm121  1  0.599307  0.810413  0.487850  1
  Sm  Sm122  1  0.929029  0.657712  0.513804  1
  Sm  Sm123  1  0.264386  0.732406  0.501310  1
  Sm  Sm124  1  0.599307  0.310413  0.487850  1
  Sm  Sm125  1  0.929029  0.157712  0.513804  1
  Sm  Sm126  1  0.264386  0.232406  0.501310  1
  Sm  Sm127  1  0.764284  0.734100  0.500596  1
  Sm  Sm128  1  0.099568  0.809235  0.488007  1
  Sm  Sm129  1  0.429135  0.657701  0.514508  1
  Sm  Sm130  1  0.764284  0.234100  0.500596  1
  Sm  Sm131  1  0.099568  0.309235  0.488007  1
  Sm  Sm132  1  0.429135  0.157701  0.514508  1
  Sm  Sm133  1  0.847906  0.504644  0.498405  1
  Sm  Sm134  1  0.183084  0.579730  0.486074  1
  Sm  Sm135  1  0.518171  0.657995  0.472611  1
  Sm  Sm136  1  0.847906  0.004644  0.498405  1
  Sm  Sm137  1  0.183084  0.079730  0.486074  1
  Sm  Sm138  1  0.518171  0.157995  0.472611  1
  Sm  Sm139  1  0.680449  0.963389  0.502600  1
  Sm  Sm140  1  0.015844  0.039434  0.489749  1
  Sm  Sm141  1  0.345506  0.885795  0.516432  1
  Sm  Sm142  1  0.680449  0.463389  0.502600  1
  Sm  Sm143  1  0.015844  0.539434  0.489749  1
  Sm  Sm144  1  0.345506  0.385795  0.516432  1
  Sm  Sm145  1  0.593627  0.581463  0.527261  1
  Sm  Sm146  1  0.923297  0.427811  0.553435  1
  Sm  Sm147  1  0.258422  0.503467  0.540830  1
  Sm  Sm148  1  0.593627  0.081463  0.527261  1
  Sm  Sm149  1  0.923297  0.927811  0.553435  1
  Sm  Sm150  1  0.258422  0.003467  0.540830  1
  Sm  Sm151  1  0.758066  0.504751  0.539781  1
  Sm  Sm152  1  0.093552  0.580004  0.527471  1
  Sm  Sm153  1  0.423203  0.428971  0.553821  1
  Sm  Sm154  1  0.758066  0.004751  0.539781  1
  Sm  Sm155  1  0.093552  0.080004  0.527471  1
  Sm  Sm156  1  0.423203  0.928971  0.553821  1
  Sm  Sm157  1  0.842083  0.275153  0.538241  1
  Sm  Sm158  1  0.177351  0.349964  0.525836  1
  Sm  Sm159  1  0.512474  0.428070  0.512505  1
  Sm  Sm160  1  0.842083  0.775153  0.538241  1
  Sm  Sm161  1  0.177351  0.849964  0.525836  1
  Sm  Sm162  1  0.512474  0.928070  0.512505  1
  Sm  Sm163  1  0.674755  0.733632  0.542426  1
  Sm  Sm164  1  0.010245  0.809733  0.529548  1
  Sm  Sm165  1  0.339768  0.656139  0.556424  1
  Sm  Sm166  1  0.674755  0.233632  0.542426  1
  Sm  Sm167  1  0.010245  0.309733  0.529548  1
  Sm  Sm168  1  0.339768  0.156139  0.556424  1
  Sm  Sm169  1  0.587505  0.353080  0.566946  1
  Sm  Sm170  1  0.916624  0.198680  0.593197  1
  Sm  Sm171  1  0.252782  0.274523  0.580302  1
  Sm  Sm172  1  0.587505  0.853080  0.566946  1
  Sm  Sm173  1  0.916624  0.698680  0.593197  1
  Sm  Sm174  1  0.252782  0.774523  0.580302  1
  Sm  Sm175  1  0.753402  0.274809  0.579735  1
  Sm  Sm176  1  0.088069  0.351542  0.567149  1
  Sm  Sm177  1  0.417700  0.201074  0.593425  1
  Sm  Sm178  1  0.753402  0.774809  0.579735  1
  Sm  Sm179  1  0.088069  0.851542  0.567149  1
  Sm  Sm180  1  0.417700  0.701074  0.593425  1
  Sm  Sm181  1  0.836312  0.043762  0.577699  1
  Sm  Sm182  1  0.171259  0.119499  0.565645  1
  Sm  Sm183  1  0.506791  0.197789  0.552375  1
  Sm  Sm184  1  0.836312  0.543762  0.577699  1
  Sm  Sm185  1  0.171259  0.619499  0.565645  1
  Sm  Sm186  1  0.506791  0.697789  0.552375  1
  Sm  Sm187  1  0.668918  0.504149  0.582257  1
  Sm  Sm188  1  0.003862  0.580349  0.569380  1
  Sm  Sm189  1  0.333613  0.426749  0.595607  1
  Sm  Sm190  1  0.668918  0.004149  0.582257  1
  Sm  Sm191  1  0.003862  0.080349  0.569380  1
  Sm  Sm192  1  0.333613  0.926749  0.595607  1
  Sm  Sm193  1  0.583300  0.123943  0.605787  1
  Sm  Sm194  1  0.913510  0.969776  0.632710  1
  Sm  Sm195  1  0.246888  0.046673  0.618812  1
  Sm  Sm196  1  0.583300  0.623943  0.605787  1
  Sm  Sm197  1  0.913510  0.469776  0.632710  1
  Sm  Sm198  1  0.246888  0.546673  0.618812  1
  Sm  Sm199  1  0.745479  0.047031  0.617666  1
  Sm  Sm200  1  0.081335  0.123306  0.605674  1
  Sm  Sm201  1  0.412460  0.969447  0.632453  1
  Sm  Sm202  1  0.745479  0.547031  0.617666  1
  Sm  Sm203  1  0.081335  0.623306  0.605674  1
  Sm  Sm204  1  0.412460  0.469447  0.632453  1
  Sm  Sm205  1  0.831019  0.814942  0.618399  1
  Sm  Sm206  1  0.165579  0.888015  0.605633  1
  Sm  Sm207  1  0.500955  0.966998  0.592356  1
  Sm  Sm208  1  0.831019  0.314942  0.618399  1
  Sm  Sm209  1  0.165579  0.388015  0.605633  1
  Sm  Sm210  1  0.500955  0.466998  0.592356  1
  Sm  Sm211  1  0.662515  0.279464  0.620853  1
  Sm  Sm212  1  0.998025  0.353513  0.608781  1
  Sm  Sm213  1  0.330569  0.197309  0.635640  1
  Sm  Sm214  1  0.662515  0.779464  0.620853  1
  Sm  Sm215  1  0.998025  0.853513  0.608781  1
  Sm  Sm216  1  0.330569  0.697309  0.635640  1
  Sm  Sm217  1  0.577502  0.896829  0.645888  1
  Sm  Sm218  1  0.906609  0.735025  0.673001  1
  Sm  Sm219  1  0.241425  0.811838  0.658870  1
  Sm  Sm220  1  0.577502  0.396829  0.645888  1
  Sm  Sm221  1  0.906609  0.235025  0.673001  1
  Sm  Sm222  1  0.241425  0.311838  0.658870  1
  Sm  Sm223  1  0.740250  0.815161  0.657858  1
  Sm  Sm224  1  0.075627  0.892179  0.645904  1
  Sm  Sm225  1  0.411125  0.738134  0.674622  1
  Sm  Sm226  1  0.740250  0.315161  0.657858  1
  Sm  Sm227  1  0.075627  0.392179  0.645904  1
  Sm  Sm228  1  0.411125  0.238134  0.674622  1
  Sm  Sm229  1  0.823796  0.574481  0.655074  1
  Sm  Sm230  1  0.159165  0.649384  0.646006  1
  Sm  Sm231  1  0.496904  0.730195  0.632883  1
  Sm  Sm232  1  0.823796  0.074481  0.655074  1
  Sm  Sm233  1  0.159165  0.149384  0.646006  1
  Sm  Sm234  1  0.496904  0.230195  0.632883  1
  Sm  Sm235  1  0.660599  0.053497  0.661364  1
  Sm  Sm236  1  0.994328  0.129205  0.647611  1
  Sm  Sm237  1  0.319511  0.971423  0.672292  1
  Sm  Sm238  1  0.660599  0.553497  0.661364  1
  Sm  Sm239  1  0.994328  0.629205  0.647611  1
  Sm  Sm240  1  0.319511  0.471423  0.672292  1
  Sm  Sm241  1  0.570478  0.660094  0.687121  1
  Sm  Sm242  1  0.878420  0.504578  0.712661  1
  Sm  Sm243  1  0.228694  0.576022  0.701212  1
  Sm  Sm244  1  0.570478  0.160094  0.687121  1
  Sm  Sm245  1  0.878420  0.004578  0.712661  1
  Sm  Sm246  1  0.228694  0.076022  0.701212  1
  Sm  Sm247  1  0.747218  0.567972  0.702013  1
  Sm  Sm248  1  0.074274  0.653150  0.688256  1
  Sm  Sm249  1  0.393433  0.498808  0.712822  1
  Sm  Sm250  1  0.747218  0.067972  0.702013  1
  Sm  Sm251  1  0.074274  0.153150  0.688256  1
  Sm  Sm252  1  0.393433  0.998808  0.712822  1
  Sm  Sm253  1  0.815782  0.304674  0.703932  1
  Sm  Sm254  1  0.152317  0.395136  0.691180  1
  Sm  Sm255  1  0.489765  0.484885  0.677669  1
  Sm  Sm256  1  0.815782  0.804674  0.703932  1
  Sm  Sm257  1  0.152317  0.895136  0.691180  1
  Sm  Sm258  1  0.489765  0.984885  0.677669  1
  Sm  Sm259  1  0.654001  0.817757  0.701634  1
  Sm  Sm260  1  0.985253  0.900358  0.689958  1
  Sm  Sm261  1  0.314780  0.743966  0.714505  1
  Sm  Sm262  1  0.654001  0.317757  0.701634  1
  Sm  Sm263  1  0.985253  0.400358  0.689958  1
  Sm  Sm264  1  0.314780  0.243966  0.714505  1
