# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.72119311
_cell_length_b   53.24908109
_cell_length_c   49.24322602
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.59571403
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm540
_cell_volume   40966.1776536
_cell_formula_units_Z   540
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  0.682007  0.824320  0.290656  1
  Sm  Sm2  1  0.075356  0.827495  0.276422  1
  Sm  Sm3  1  0.459345  0.830409  0.261685  1
  Sm  Sm4  1  0.682007  0.324320  0.290656  1
  Sm  Sm5  1  0.075356  0.327495  0.276422  1
  Sm  Sm6  1  0.459345  0.330409  0.261685  1
  Sm  Sm7  1  0.595635  0.886022  0.257509  1
  Sm  Sm8  1  0.819972  0.884207  0.285717  1
  Sm  Sm9  1  0.216003  0.885694  0.271705  1
  Sm  Sm10  1  0.595635  0.386022  0.257509  1
  Sm  Sm11  1  0.819972  0.384207  0.285717  1
  Sm  Sm12  1  0.216003  0.385694  0.271705  1
  Sm  Sm13  1  0.642113  0.933264  0.309206  1
  Sm  Sm14  1  0.033496  0.935049  0.292141  1
  Sm  Sm15  1  0.422853  0.938838  0.275878  1
  Sm  Sm16  1  0.642113  0.433264  0.309206  1
  Sm  Sm17  1  0.033496  0.435049  0.292141  1
  Sm  Sm18  1  0.422853  0.438838  0.275878  1
  Sm  Sm19  1  0.961553  0.497460  0.261218  1
  Sm  Sm20  1  0.183541  0.488717  0.289171  1
  Sm  Sm21  1  0.565893  0.495304  0.275871  1
  Sm  Sm22  1  0.961553  0.997460  0.261218  1
  Sm  Sm23  1  0.183541  0.988717  0.289171  1
  Sm  Sm24  1  0.565893  0.995304  0.275871  1
  Sm  Sm25  1  0.714680  0.549324  0.271099  1
  Sm  Sm26  1  0.091256  0.552203  0.256941  1
  Sm  Sm27  1  0.317641  0.548731  0.285227  1
  Sm  Sm28  1  0.714680  0.049324  0.271099  1
  Sm  Sm29  1  0.091256  0.052203  0.256941  1
  Sm  Sm30  1  0.317641  0.048731  0.285227  1
  Sm  Sm31  1  0.526109  0.600507  0.288710  1
  Sm  Sm32  1  0.908975  0.604867  0.272098  1
  Sm  Sm33  1  0.136777  0.598397  0.307574  1
  Sm  Sm34  1  0.526109  0.100507  0.288710  1
  Sm  Sm35  1  0.908975  0.104867  0.272098  1
  Sm  Sm36  1  0.136777  0.098397  0.307574  1
  Sm  Sm37  1  0.672554  0.654643  0.288923  1
  Sm  Sm38  1  0.055865  0.659128  0.273995  1
  Sm  Sm39  1  0.280688  0.652017  0.302569  1
  Sm  Sm40  1  0.672554  0.154643  0.288923  1
  Sm  Sm41  1  0.055865  0.159128  0.273995  1
  Sm  Sm42  1  0.280688  0.152017  0.302569  1
  Sm  Sm43  1  0.807217  0.712081  0.285381  1
  Sm  Sm44  1  0.190845  0.716126  0.270260  1
  Sm  Sm45  1  0.414247  0.709804  0.299174  1
  Sm  Sm46  1  0.807217  0.212081  0.285381  1
  Sm  Sm47  1  0.190845  0.216126  0.270260  1
  Sm  Sm48  1  0.414247  0.209804  0.299174  1
  Sm  Sm49  1  0.548440  0.766863  0.294666  1
  Sm  Sm50  1  0.940596  0.769894  0.281214  1
  Sm  Sm51  1  0.324701  0.773461  0.266283  1
  Sm  Sm52  1  0.548440  0.266863  0.294666  1
  Sm  Sm53  1  0.940596  0.269894  0.281214  1
  Sm  Sm54  1  0.324701  0.273461  0.266283  1
  Sm  Sm55  1  0.486315  0.818939  0.338571  1
  Sm  Sm56  1  0.884180  0.823403  0.324060  1
  Sm  Sm57  1  0.279944  0.825753  0.309851  1
  Sm  Sm58  1  0.486315  0.318939  0.338571  1
  Sm  Sm59  1  0.884180  0.323403  0.324060  1
  Sm  Sm60  1  0.279944  0.325753  0.309851  1
  Sm  Sm61  1  0.418233  0.880687  0.306050  1
  Sm  Sm62  1  0.620825  0.875264  0.333657  1
  Sm  Sm63  1  0.021716  0.878080  0.320371  1
  Sm  Sm64  1  0.418233  0.380687  0.306050  1
  Sm  Sm65  1  0.620825  0.375264  0.333657  1
  Sm  Sm66  1  0.021716  0.378080  0.320371  1
  Sm  Sm67  1  0.456459  0.926553  0.357567  1
  Sm  Sm68  1  0.853146  0.928078  0.342045  1
  Sm  Sm69  1  0.248599  0.930910  0.326522  1
  Sm  Sm70  1  0.456459  0.426553  0.357567  1
  Sm  Sm71  1  0.853146  0.428078  0.342045  1
  Sm  Sm72  1  0.248599  0.430910  0.326522  1
  Sm  Sm73  1  0.783643  0.486015  0.305157  1
  Sm  Sm74  1  0.989617  0.484853  0.338795  1
  Sm  Sm75  1  0.386722  0.488096  0.323708  1
  Sm  Sm76  1  0.783643  0.986015  0.305157  1
  Sm  Sm77  1  0.989617  0.984853  0.338795  1
  Sm  Sm78  1  0.386722  0.988096  0.323708  1
  Sm  Sm79  1  0.521447  0.544037  0.320386  1
  Sm  Sm80  1  0.916118  0.546751  0.305805  1
  Sm  Sm81  1  0.122735  0.539524  0.332833  1
  Sm  Sm82  1  0.521447  0.044037  0.320386  1
  Sm  Sm83  1  0.916118  0.046751  0.305805  1
  Sm  Sm84  1  0.122735  0.039524  0.332833  1
  Sm  Sm85  1  0.352214  0.594135  0.340179  1
  Sm  Sm86  1  0.743884  0.596125  0.324821  1
  Sm  Sm87  1  0.956866  0.592209  0.355902  1
  Sm  Sm88  1  0.352214  0.094135  0.340179  1
  Sm  Sm89  1  0.743884  0.096125  0.324821  1
  Sm  Sm90  1  0.956866  0.092209  0.355902  1
  Sm  Sm91  1  0.490065  0.649947  0.337367  1
  Sm  Sm92  1  0.885115  0.652281  0.322745  1
  Sm  Sm93  1  0.094218  0.648013  0.352785  1
  Sm  Sm94  1  0.490065  0.149947  0.337367  1
  Sm  Sm95  1  0.885115  0.152281  0.322745  1
  Sm  Sm96  1  0.094218  0.148013  0.352785  1
  Sm  Sm97  1  0.620685  0.707645  0.333212  1
  Sm  Sm98  1  0.015438  0.710557  0.318836  1
  Sm  Sm99  1  0.223882  0.704684  0.347379  1
  Sm  Sm100  1  0.620685  0.207645  0.333212  1
  Sm  Sm101  1  0.015438  0.210557  0.318836  1
  Sm  Sm102  1  0.223882  0.204684  0.347379  1
  Sm  Sm103  1  0.355059  0.761867  0.342943  1
  Sm  Sm104  1  0.752854  0.765010  0.329017  1
  Sm  Sm105  1  0.148381  0.767770  0.314340  1
  Sm  Sm106  1  0.355059  0.261867  0.342943  1
  Sm  Sm107  1  0.752854  0.265010  0.329017  1
  Sm  Sm108  1  0.148381  0.267770  0.314340  1
  Sm  Sm109  1  0.286851  0.812681  0.384767  1
  Sm  Sm110  1  0.685497  0.816026  0.369835  1
  Sm  Sm111  1  0.084148  0.818194  0.355586  1
  Sm  Sm112  1  0.286851  0.312681  0.384767  1
  Sm  Sm113  1  0.685497  0.316026  0.369835  1
  Sm  Sm114  1  0.084148  0.318194  0.355586  1
  Sm  Sm115  1  0.216486  0.874316  0.350692  1
  Sm  Sm116  1  0.418136  0.869015  0.379796  1
  Sm  Sm117  1  0.816492  0.871907  0.364693  1
  Sm  Sm118  1  0.216486  0.374316  0.350692  1
  Sm  Sm119  1  0.418136  0.369015  0.379796  1
  Sm  Sm120  1  0.816492  0.371907  0.364693  1
  Sm  Sm121  1  0.260106  0.919520  0.403887  1
  Sm  Sm122  1  0.657757  0.921740  0.388161  1
  Sm  Sm123  1  0.056909  0.924489  0.373324  1
  Sm  Sm124  1  0.260106  0.419520  0.403887  1
  Sm  Sm125  1  0.657757  0.421740  0.388161  1
  Sm  Sm126  1  0.056909  0.424489  0.373324  1
  Sm  Sm127  1  0.591265  0.482535  0.354231  1
  Sm  Sm128  1  0.792744  0.477897  0.383881  1
  Sm  Sm129  1  0.191262  0.480643  0.369298  1
  Sm  Sm130  1  0.591265  0.982535  0.354231  1
  Sm  Sm131  1  0.792744  0.977897  0.383881  1
  Sm  Sm132  1  0.191262  0.980643  0.369298  1
  Sm  Sm133  1  0.318885  0.537448  0.364063  1
  Sm  Sm134  1  0.721345  0.537564  0.348825  1
  Sm  Sm135  1  0.921834  0.534975  0.379617  1
  Sm  Sm136  1  0.318885  0.037448  0.364063  1
  Sm  Sm137  1  0.721345  0.037564  0.348825  1
  Sm  Sm138  1  0.921834  0.034975  0.379617  1
  Sm  Sm139  1  0.159033  0.586884  0.386744  1
  Sm  Sm140  1  0.558693  0.589452  0.371937  1
  Sm  Sm141  1  0.761841  0.584570  0.402333  1
  Sm  Sm142  1  0.159033  0.086884  0.386744  1
  Sm  Sm143  1  0.558693  0.089452  0.371937  1
  Sm  Sm144  1  0.761841  0.084570  0.402333  1
  Sm  Sm145  1  0.294297  0.643168  0.382929  1
  Sm  Sm146  1  0.694196  0.645777  0.368936  1
  Sm  Sm147  1  0.895854  0.640679  0.398613  1
  Sm  Sm148  1  0.294297  0.143168  0.382929  1
  Sm  Sm149  1  0.694196  0.145777  0.368936  1
  Sm  Sm150  1  0.895854  0.140679  0.398613  1
  Sm  Sm151  1  0.423463  0.701022  0.378700  1
  Sm  Sm152  1  0.822281  0.703413  0.364555  1
  Sm  Sm153  1  0.024675  0.698226  0.393908  1
  Sm  Sm154  1  0.423463  0.201022  0.378700  1
  Sm  Sm155  1  0.822281  0.203413  0.364555  1
  Sm  Sm156  1  0.024675  0.198226  0.393908  1
  Sm  Sm157  1  0.156116  0.755265  0.389253  1
  Sm  Sm158  1  0.554385  0.758302  0.374267  1
  Sm  Sm159  1  0.953301  0.760902  0.360078  1
  Sm  Sm160  1  0.156116  0.255265  0.389253  1
  Sm  Sm161  1  0.554385  0.258302  0.374267  1
  Sm  Sm162  1  0.953301  0.260902  0.360078  1
  Sm  Sm163  1  0.088645  0.806211  0.431243  1
  Sm  Sm164  1  0.487789  0.808680  0.415848  1
  Sm  Sm165  1  0.885645  0.811136  0.400544  1
  Sm  Sm166  1  0.088645  0.306211  0.431243  1
  Sm  Sm167  1  0.487789  0.308680  0.415848  1
  Sm  Sm168  1  0.885645  0.311136  0.400544  1
  Sm  Sm169  1  0.016606  0.867291  0.395790  1
  Sm  Sm170  1  0.220500  0.862223  0.426452  1
  Sm  Sm171  1  0.619075  0.864811  0.411047  1
  Sm  Sm172  1  0.016606  0.367291  0.395790  1
  Sm  Sm173  1  0.220500  0.362223  0.426452  1
  Sm  Sm174  1  0.619075  0.364811  0.411047  1
  Sm  Sm175  1  0.062986  0.912360  0.450002  1
  Sm  Sm176  1  0.461639  0.914694  0.434595  1
  Sm  Sm177  1  0.859911  0.917183  0.419204  1
  Sm  Sm178  1  0.062986  0.412360  0.450002  1
  Sm  Sm179  1  0.461639  0.414694  0.434595  1
  Sm  Sm180  1  0.859911  0.417183  0.419204  1
  Sm  Sm181  1  0.391979  0.475765  0.399374  1
  Sm  Sm182  1  0.593379  0.470994  0.430199  1
  Sm  Sm183  1  0.992258  0.473535  0.415083  1
  Sm  Sm184  1  0.391979  0.975765  0.399374  1
  Sm  Sm185  1  0.593379  0.970994  0.430199  1
  Sm  Sm186  1  0.992258  0.973535  0.415083  1
  Sm  Sm187  1  0.122069  0.529817  0.409969  1
  Sm  Sm188  1  0.519973  0.532134  0.394516  1
  Sm  Sm189  1  0.723467  0.527311  0.425096  1
  Sm  Sm190  1  0.122069  0.029817  0.409969  1
  Sm  Sm191  1  0.519973  0.032134  0.394516  1
  Sm  Sm192  1  0.723467  0.027311  0.425096  1
  Sm  Sm193  1  0.964400  0.579978  0.433437  1
  Sm  Sm194  1  0.362431  0.582269  0.417834  1
  Sm  Sm195  1  0.565837  0.577451  0.448682  1
  Sm  Sm196  1  0.964400  0.079978  0.433437  1
  Sm  Sm197  1  0.362431  0.082269  0.417834  1
  Sm  Sm198  1  0.565837  0.077451  0.448682  1
  Sm  Sm199  1  0.097267  0.635786  0.429137  1
  Sm  Sm200  1  0.495185  0.638284  0.413563  1
  Sm  Sm201  1  0.697862  0.633496  0.444552  1
  Sm  Sm202  1  0.097267  0.135786  0.429137  1
  Sm  Sm203  1  0.495185  0.138284  0.413563  1
  Sm  Sm204  1  0.697862  0.133496  0.444552  1
  Sm  Sm205  1  0.226313  0.693438  0.424401  1
  Sm  Sm206  1  0.624108  0.696045  0.409356  1
  Sm  Sm207  1  0.827096  0.691228  0.440177  1
  Sm  Sm208  1  0.226313  0.193438  0.424401  1
  Sm  Sm209  1  0.624108  0.196045  0.409356  1
  Sm  Sm210  1  0.827096  0.191228  0.440177  1
  Sm  Sm211  1  0.958491  0.748558  0.435790  1
  Sm  Sm212  1  0.357404  0.750901  0.420281  1
  Sm  Sm213  1  0.755241  0.753508  0.405106  1
  Sm  Sm214  1  0.958491  0.248558  0.435790  1
  Sm  Sm215  1  0.357404  0.250901  0.420281  1
  Sm  Sm216  1  0.755241  0.253508  0.405106  1
  Sm  Sm217  1  0.891613  0.799430  0.477316  1
  Sm  Sm218  1  0.290904  0.801629  0.461920  1
  Sm  Sm219  1  0.689252  0.804125  0.446706  1
  Sm  Sm220  1  0.891613  0.299430  0.477316  1
  Sm  Sm221  1  0.290904  0.301629  0.461920  1
  Sm  Sm222  1  0.689252  0.304125  0.446706  1
  Sm  Sm223  1  0.820776  0.860143  0.441891  1
  Sm  Sm224  1  0.023332  0.855397  0.472794  1
  Sm  Sm225  1  0.422449  0.857730  0.457336  1
  Sm  Sm226  1  0.820776  0.360143  0.441891  1
  Sm  Sm227  1  0.023332  0.355397  0.472794  1
  Sm  Sm228  1  0.422449  0.357730  0.457336  1
  Sm  Sm229  1  0.865865  0.905370  0.496193  1
  Sm  Sm230  1  0.264971  0.907709  0.480946  1
  Sm  Sm231  1  0.663585  0.910104  0.465454  1
  Sm  Sm232  1  0.865865  0.405370  0.496193  1
  Sm  Sm233  1  0.264971  0.407709  0.480946  1
  Sm  Sm234  1  0.663585  0.410104  0.465454  1
  Sm  Sm235  1  0.194108  0.468719  0.445527  1
  Sm  Sm236  1  0.395887  0.464052  0.476215  1
  Sm  Sm237  1  0.794946  0.466498  0.460836  1
  Sm  Sm238  1  0.194108  0.968719  0.445527  1
  Sm  Sm239  1  0.395887  0.964052  0.476215  1
  Sm  Sm240  1  0.794946  0.966498  0.460836  1
  Sm  Sm241  1  0.925517  0.522863  0.456279  1
  Sm  Sm242  1  0.324280  0.525081  0.440688  1
  Sm  Sm243  1  0.526760  0.520428  0.471511  1
  Sm  Sm244  1  0.925517  0.022863  0.456279  1
  Sm  Sm245  1  0.324280  0.025081  0.440688  1
  Sm  Sm246  1  0.526760  0.020428  0.471511  1
  Sm  Sm247  1  0.768010  0.572781  0.479630  1
  Sm  Sm248  1  0.167121  0.575048  0.464201  1
  Sm  Sm249  1  0.369502  0.570367  0.494996  1
  Sm  Sm250  1  0.768010  0.072781  0.479630  1
  Sm  Sm251  1  0.167121  0.075048  0.464201  1
  Sm  Sm252  1  0.369502  0.070367  0.494996  1
  Sm  Sm253  1  0.900131  0.628887  0.475297  1
  Sm  Sm254  1  0.299212  0.631167  0.459715  1
  Sm  Sm255  1  0.501179  0.626455  0.490462  1
  Sm  Sm256  1  0.900131  0.128887  0.475297  1
  Sm  Sm257  1  0.299212  0.131167  0.459715  1
  Sm  Sm258  1  0.501179  0.126455  0.490462  1
  Sm  Sm259  1  0.029848  0.686529  0.470743  1
  Sm  Sm260  1  0.428536  0.688879  0.455376  1
  Sm  Sm261  1  0.630861  0.684237  0.486169  1
  Sm  Sm262  1  0.029848  0.186529  0.470743  1
  Sm  Sm263  1  0.428536  0.188879  0.455376  1
  Sm  Sm264  1  0.630861  0.184237  0.486169  1
  Sm  Sm265  1  0.761794  0.741721  0.481912  1
  Sm  Sm266  1  0.160991  0.743898  0.466338  1
  Sm  Sm267  1  0.559382  0.746347  0.451078  1
  Sm  Sm268  1  0.761794  0.241721  0.481912  1
  Sm  Sm269  1  0.160991  0.243898  0.466338  1
  Sm  Sm270  1  0.559382  0.246347  0.451078  1
  Sm  Sm271  1  0.694569  0.792280  0.523503  1
  Sm  Sm272  1  0.093597  0.794569  0.507965  1
  Sm  Sm273  1  0.492540  0.797023  0.492809  1
  Sm  Sm274  1  0.694569  0.292280  0.523503  1
  Sm  Sm275  1  0.093597  0.294569  0.507965  1
  Sm  Sm276  1  0.492540  0.297023  0.492809  1
  Sm  Sm277  1  0.624103  0.853110  0.488202  1
  Sm  Sm278  1  0.826409  0.848367  0.519017  1
  Sm  Sm279  1  0.225657  0.850678  0.503533  1
  Sm  Sm280  1  0.624103  0.353110  0.488202  1
  Sm  Sm281  1  0.826409  0.348367  0.519017  1
  Sm  Sm282  1  0.225657  0.350678  0.503533  1
  Sm  Sm283  1  0.668963  0.898408  0.542563  1
  Sm  Sm284  1  0.068205  0.900572  0.527009  1
  Sm  Sm285  1  0.466714  0.903031  0.511780  1
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