# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   71.34938886
_cell_length_b   10.40285549
_cell_length_c   47.65838377
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.76946626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm432
_cell_volume   35365.6761159
_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  0.524124  0.882898  0.333543  1
  Sm  Sm2  1  0.691110  0.864466  0.310795  1
  Sm  Sm3  1  0.859347  0.898326  0.358392  1
  Sm  Sm4  1  0.857457  0.549565  0.333543  1
  Sm  Sm5  1  0.024124  0.882898  0.333543  1
  Sm  Sm6  1  0.191110  0.864466  0.310795  1
  Sm  Sm7  1  0.359347  0.898326  0.358392  1
  Sm  Sm8  1  0.357457  0.549565  0.333543  1
  Sm  Sm9  1  0.524443  0.531133  0.310795  1
  Sm  Sm10  1  0.692681  0.564993  0.358392  1
  Sm  Sm11  1  0.690790  0.216231  0.333543  1
  Sm  Sm12  1  0.857776  0.197800  0.310795  1
  Sm  Sm13  1  0.024443  0.531133  0.310795  1
  Sm  Sm14  1  0.192681  0.564993  0.358392  1
  Sm  Sm15  1  0.190790  0.216231  0.333543  1
  Sm  Sm16  1  0.357776  0.197800  0.310795  1
  Sm  Sm17  1  0.526014  0.231660  0.358392  1
  Sm  Sm18  1  0.026014  0.231660  0.358392  1
  Sm  Sm19  1  0.607873  0.869341  0.323261  1
  Sm  Sm20  1  0.777603  0.836894  0.299710  1
  Sm  Sm21  1  0.941668  0.884836  0.347030  1
  Sm  Sm22  1  0.941206  0.536008  0.323261  1
  Sm  Sm23  1  0.107873  0.869341  0.323261  1
  Sm  Sm24  1  0.277603  0.836894  0.299710  1
  Sm  Sm25  1  0.441668  0.884836  0.347030  1
  Sm  Sm26  1  0.441206  0.536008  0.323261  1
  Sm  Sm27  1  0.610936  0.503561  0.299710  1
  Sm  Sm28  1  0.775002  0.551503  0.347030  1
  Sm  Sm29  1  0.774539  0.202675  0.323261  1
  Sm  Sm30  1  0.944270  0.170228  0.299710  1
  Sm  Sm31  1  0.110936  0.503561  0.299710  1
  Sm  Sm32  1  0.275002  0.551503  0.347030  1
  Sm  Sm33  1  0.274539  0.202675  0.323261  1
  Sm  Sm34  1  0.444270  0.170228  0.299710  1
  Sm  Sm35  1  0.608335  0.218170  0.347030  1
  Sm  Sm36  1  0.108335  0.218170  0.347030  1
  Sm  Sm37  1  0.650448  0.041133  0.344827  1
  Sm  Sm38  1  0.816925  0.021416  0.321401  1
  Sm  Sm39  1  0.983922  0.062943  0.367203  1
  Sm  Sm40  1  0.983782  0.707800  0.344827  1
  Sm  Sm41  1  0.150448  0.041133  0.344827  1
  Sm  Sm42  1  0.316925  0.021416  0.321401  1
  Sm  Sm43  1  0.483922  0.062943  0.367203  1
  Sm  Sm44  1  0.483782  0.707800  0.344827  1
  Sm  Sm45  1  0.650259  0.688082  0.321401  1
  Sm  Sm46  1  0.817255  0.729609  0.367203  1
  Sm  Sm47  1  0.817115  0.374467  0.344827  1
  Sm  Sm48  1  0.983592  0.354749  0.321401  1
  Sm  Sm49  1  0.150259  0.688082  0.321401  1
  Sm  Sm50  1  0.317255  0.729609  0.367203  1
  Sm  Sm51  1  0.317115  0.374467  0.344827  1
  Sm  Sm52  1  0.483592  0.354749  0.321401  1
  Sm  Sm53  1  0.650589  0.396276  0.367203  1
  Sm  Sm54  1  0.150589  0.396276  0.367203  1
  Sm  Sm55  1  0.566322  0.694634  0.297267  1
  Sm  Sm56  1  0.734048  0.733736  0.343736  1
  Sm  Sm57  1  0.898452  0.716028  0.319767  1
  Sm  Sm58  1  0.899656  0.361301  0.297267  1
  Sm  Sm59  1  0.066322  0.694634  0.297267  1
  Sm  Sm60  1  0.234048  0.733736  0.343736  1
  Sm  Sm61  1  0.398452  0.716028  0.319767  1
  Sm  Sm62  1  0.399656  0.361301  0.297267  1
  Sm  Sm63  1  0.567381  0.400402  0.343736  1
  Sm  Sm64  1  0.731786  0.382695  0.319767  1
  Sm  Sm65  1  0.732989  0.027968  0.297267  1
  Sm  Sm66  1  0.900715  0.067069  0.343736  1
  Sm  Sm67  1  0.067381  0.400402  0.343736  1
  Sm  Sm68  1  0.231786  0.382695  0.319767  1
  Sm  Sm69  1  0.232989  0.027968  0.297267  1
  Sm  Sm70  1  0.400715  0.067069  0.343736  1
  Sm  Sm71  1  0.565119  0.049362  0.319767  1
  Sm  Sm72  1  0.065119  0.049362  0.319767  1
  Sm  Sm73  1  0.528558  0.935148  0.405059  1
  Sm  Sm74  1  0.693715  0.915294  0.382105  1
  Sm  Sm75  1  0.863953  0.953058  0.429477  1
  Sm  Sm76  1  0.861891  0.601815  0.405059  1
  Sm  Sm77  1  0.028558  0.935148  0.405059  1
  Sm  Sm78  1  0.193715  0.915294  0.382105  1
  Sm  Sm79  1  0.363953  0.953058  0.429477  1
  Sm  Sm80  1  0.361891  0.601815  0.405059  1
  Sm  Sm81  1  0.527048  0.581960  0.382105  1
  Sm  Sm82  1  0.697286  0.619725  0.429477  1
  Sm  Sm83  1  0.695225  0.268481  0.405059  1
  Sm  Sm84  1  0.860381  0.248627  0.382105  1
  Sm  Sm85  1  0.027048  0.581960  0.382105  1
  Sm  Sm86  1  0.197286  0.619725  0.429477  1
  Sm  Sm87  1  0.195225  0.268481  0.405059  1
  Sm  Sm88  1  0.360381  0.248627  0.382105  1
  Sm  Sm89  1  0.530619  0.286391  0.429477  1
  Sm  Sm90  1  0.030619  0.286391  0.429477  1
  Sm  Sm91  1  0.611109  0.925316  0.394853  1
  Sm  Sm92  1  0.775288  0.912174  0.371097  1
  Sm  Sm93  1  0.946173  0.944713  0.417936  1
  Sm  Sm94  1  0.944442  0.591982  0.394853  1
  Sm  Sm95  1  0.111109  0.925316  0.394853  1
  Sm  Sm96  1  0.275288  0.912174  0.371097  1
  Sm  Sm97  1  0.446173  0.944713  0.417936  1
  Sm  Sm98  1  0.444442  0.591982  0.394853  1
  Sm  Sm99  1  0.608621  0.578841  0.371097  1
  Sm  Sm100  1  0.779506  0.611379  0.417936  1
  Sm  Sm101  1  0.777775  0.258649  0.394853  1
  Sm  Sm102  1  0.941954  0.245507  0.371097  1
  Sm  Sm103  1  0.108621  0.578841  0.371097  1
  Sm  Sm104  1  0.279506  0.611379  0.417936  1
  Sm  Sm105  1  0.277775  0.258649  0.394853  1
  Sm  Sm106  1  0.441954  0.245507  0.371097  1
  Sm  Sm107  1  0.612839  0.278046  0.417936  1
  Sm  Sm108  1  0.112839  0.278046  0.417936  1
  Sm  Sm109  1  0.654474  0.104382  0.416682  1
  Sm  Sm110  1  0.819581  0.085112  0.392884  1
  Sm  Sm111  1  0.989654  0.122403  0.440153  1
  Sm  Sm112  1  0.987807  0.771049  0.416682  1
  Sm  Sm113  1  0.154474  0.104382  0.416682  1
  Sm  Sm114  1  0.319581  0.085112  0.392884  1
  Sm  Sm115  1  0.489654  0.122403  0.440153  1
  Sm  Sm116  1  0.487807  0.771049  0.416682  1
  Sm  Sm117  1  0.652914  0.751779  0.392884  1
  Sm  Sm118  1  0.822987  0.789069  0.440153  1
  Sm  Sm119  1  0.821140  0.437715  0.416682  1
  Sm  Sm120  1  0.986247  0.418445  0.392884  1
  Sm  Sm121  1  0.152914  0.751779  0.392884  1
  Sm  Sm122  1  0.322987  0.789069  0.440153  1
  Sm  Sm123  1  0.321140  0.437715  0.416682  1
  Sm  Sm124  1  0.486247  0.418445  0.392884  1
  Sm  Sm125  1  0.656320  0.455736  0.440153  1
  Sm  Sm126  1  0.156320  0.455736  0.440153  1
  Sm  Sm127  1  0.567399  0.749558  0.368816  1
  Sm  Sm128  1  0.737827  0.781209  0.416281  1
  Sm  Sm129  1  0.902974  0.764624  0.392133  1
  Sm  Sm130  1  0.900733  0.416225  0.368816  1
  Sm  Sm131  1  0.067399  0.749558  0.368816  1
  Sm  Sm132  1  0.237827  0.781209  0.416281  1
  Sm  Sm133  1  0.402974  0.764624  0.392133  1
  Sm  Sm134  1  0.400733  0.416225  0.368816  1
  Sm  Sm135  1  0.571161  0.447876  0.416281  1
  Sm  Sm136  1  0.736307  0.431291  0.392133  1
  Sm  Sm137  1  0.734066  0.082892  0.368816  1
  Sm  Sm138  1  0.904494  0.114542  0.416281  1
  Sm  Sm139  1  0.071161  0.447876  0.416281  1
  Sm  Sm140  1  0.236307  0.431291  0.392133  1
  Sm  Sm141  1  0.234066  0.082892  0.368816  1
  Sm  Sm142  1  0.404494  0.114542  0.416281  1
  Sm  Sm143  1  0.569640  0.097958  0.392133  1
  Sm  Sm144  1  0.069640  0.097958  0.392133  1
  Sm  Sm145  1  0.533540  0.988776  0.476152  1
  Sm  Sm146  1  0.698822  0.971616  0.452587  1
  Sm  Sm147  1  0.868454  0.007236  0.500034  1
  Sm  Sm148  1  0.866873  0.655443  0.476152  1
  Sm  Sm149  1  0.033540  0.988776  0.476152  1
  Sm  Sm150  1  0.198822  0.971616  0.452587  1
  Sm  Sm151  1  0.368454  0.007236  0.500034  1
  Sm  Sm152  1  0.366873  0.655443  0.476152  1
  Sm  Sm153  1  0.532155  0.638282  0.452587  1
  Sm  Sm154  1  0.701787  0.673903  0.500034  1
  Sm  Sm155  1  0.700206  0.322110  0.476152  1
  Sm  Sm156  1  0.865488  0.304949  0.452587  1
  Sm  Sm157  1  0.032155  0.638282  0.452587  1
  Sm  Sm158  1  0.201787  0.673903  0.500034  1
  Sm  Sm159  1  0.200206  0.322110  0.476152  1
  Sm  Sm160  1  0.365488  0.304949  0.452587  1
  Sm  Sm161  1  0.535120  0.340569  0.500034  1
  Sm  Sm162  1  0.035120  0.340569  0.500034  1
  Sm  Sm163  1  0.616267  0.979926  0.465296  1
  Sm  Sm164  1  0.781431  0.961203  0.441759  1
  Sm  Sm165  1  0.951136  -0.002081  0.488758  1
  Sm  Sm166  1  0.949601  0.646593  0.465296  1
  Sm  Sm167  1  0.116267  0.979926  0.465296  1
  Sm  Sm168  1  0.281431  0.961203  0.441759  1
  Sm  Sm169  1  0.451136  -0.002081  0.488758  1
  Sm  Sm170  1  0.449601  0.646593  0.465296  1
  Sm  Sm171  1  0.614765  0.627869  0.441759  1
  Sm  Sm172  1  0.784470  0.664586  0.488758  1
  Sm  Sm173  1  0.782934  0.313260  0.465296  1
  Sm  Sm174  1  0.948098  0.294536  0.441759  1
  Sm  Sm175  1  0.114765  0.627869  0.441759  1
  Sm  Sm176  1  0.284470  0.664586  0.488758  1
  Sm  Sm177  1  0.282934  0.313260  0.465296  1
  Sm  Sm178  1  0.448098  0.294536  0.441759  1
  Sm  Sm179  1  0.617803  0.331252  0.488758  1
  Sm  Sm180  1  0.117803  0.331252  0.488758  1
  Sm  Sm181  1  0.659373  0.159418  0.488376  1
  Sm  Sm182  1  0.824520  0.141040  0.464525  1
  Sm  Sm183  1  0.994222  0.177663  0.512079  1
  Sm  Sm184  1  0.992707  0.826084  0.488376  1
  Sm  Sm185  1  0.159373  0.159418  0.488376  1
  Sm  Sm186  1  0.324520  0.141040  0.464525  1
  Sm  Sm187  1  0.494222  0.177663  0.512079  1
  Sm  Sm188  1  0.492707  0.826084  0.488376  1
  Sm  Sm189  1  0.657853  0.807707  0.464525  1
  Sm  Sm190  1  0.827556  0.844330  0.512079  1
  Sm  Sm191  1  0.826040  0.492751  0.488376  1
  Sm  Sm192  1  0.991186  0.474374  0.464525  1
  Sm  Sm193  1  0.157853  0.807707  0.464525  1
  Sm  Sm194  1  0.327556  0.844330  0.512079  1
  Sm  Sm195  1  0.326040  0.492751  0.488376  1
  Sm  Sm196  1  0.491186  0.474374  0.464525  1
  Sm  Sm197  1  0.660889  0.510997  0.512079  1
  Sm  Sm198  1  0.160889  0.510997  0.512079  1
  Sm  Sm199  1  0.572869  0.800107  0.440248  1
  Sm  Sm200  1  0.742673  0.836346  0.488133  1
  Sm  Sm201  1  0.907794  0.817966  0.464235  1
  Sm  Sm202  1  0.906203  0.466773  0.440248  1
  Sm  Sm203  1  0.072869  0.800107  0.440248  1
  Sm  Sm204  1  0.242673  0.836346  0.488133  1
  Sm  Sm205  1  0.407794  0.817966  0.464235  1
  Sm  Sm206  1  0.406203  0.466773  0.440248  1
  Sm  Sm207  1  0.576007  0.503013  0.488133  1
  Sm  Sm208  1  0.741127  0.484633  0.464235  1
  Sm  Sm209  1  0.739536  0.133440  0.440248  1
  Sm  Sm210  1  0.909340  0.169680  0.488133  1
  Sm  Sm211  1  0.076007  0.503013  0.488133  1
  Sm  Sm212  1  0.241127  0.484633  0.464235  1
  Sm  Sm213  1  0.239536  0.133440  0.440248  1
  Sm  Sm214  1  0.409340  0.169680  0.488133  1
  Sm  Sm215  1  0.574461  0.151299  0.464235  1
  Sm  Sm216  1  0.074461  0.151299  0.464235  1
  Sm  Sm217  1  0.538044  0.042798  0.547140  1
  Sm  Sm218  1  0.703244  0.024828  0.523780  1
  Sm  Sm219  1  0.872861  0.060310  0.571017  1
  Sm  Sm220  1  0.871377  0.709465  0.547140  1
  Sm  Sm221  1  0.038044  0.042798  0.547140  1
  Sm  Sm222  1  0.203244  0.024828  0.523780  1
  Sm  Sm223  1  0.372861  0.060310  0.571017  1
  Sm  Sm224  1  0.371377  0.709465  0.547140  1
  Sm  Sm225  1  0.536578  0.691495  0.523780  1
  Sm  Sm226  1  0.706195  0.726977  0.571017  1
  Sm  Sm227  1  0.704711  0.376131  0.547140  1
  Sm  Sm228  1  0.869911  0.358161  0.523780  1
  Sm  Sm229  1  0.036578  0.691495  0.523780  1
  Sm  Sm230  1  0.206195  0.726977  0.571017  1
  Sm  Sm231  1  0.204711  0.376131  0.547140  1
  Sm  Sm232  1  0.369911  0.358161  0.523780  1
  Sm  Sm233  1  0.539528  0.393644  0.571017  1
  Sm  Sm234  1  0.039528  0.393644  0.571017  1
  Sm  Sm235  1  0.620661  0.034528  0.536370  1
  Sm  Sm236  1  0.785867  0.016297  0.512756  1
  Sm  Sm237  1  0.955551  0.052504  0.559807  1
  Sm  Sm238  1  0.953994  0.701195  0.536370  1
  Sm  Sm239  1  0.120661  0.034528  0.536370  1
  Sm  Sm240  1  0.285867  0.016297  0.512756  1
  Sm  Sm241  1  0.455551  0.052504  0.559807  1
  Sm  Sm242  1  0.453994  0.701195  0.536370  1
  Sm  Sm243  1  0.619201  0.682963  0.512756  1
  Sm  Sm244  1  0.788884  0.719171  0.559807  1
  Sm  Sm245  1  0.787328  0.367861  0.536370  1
  Sm  Sm246  1  0.952534  0.349630  0.512756  1
  Sm  Sm247  1  0.119201  0.682963  0.512756  1
  Sm  Sm248  1  0.288884  0.719171  0.559807  1
  Sm  Sm249  1  0.287328  0.367861  0.536370  1
  Sm  Sm250  1  0.452534  0.349630  0.512756  1
  Sm  Sm251  1  0.622218  0.385837  0.559807  1
  Sm  Sm252  1  0.122218  0.385837  0.559807  1
  Sm  Sm253  1  0.663930  0.214129  0.560039  1
  Sm  Sm254  1  0.828966  0.195846  0.536261  1
  Sm  Sm255  1  0.998780  0.232065  0.583583  1
  Sm  Sm256  1  0.997264  0.880795  0.560039  1
  Sm  Sm257  1  0.163930  0.214129  0.560039  1
  Sm  Sm258  1  0.328966  0.195846  0.536261  1
  Sm  Sm259  1  0.498780  0.232065  0.583583  1
  Sm  Sm260  1  0.497264  0.880795  0.560039  1
  Sm  Sm261  1  0.662300  0.862513  0.536261  1
  Sm  Sm262  1  0.832113  0.898732  0.583583  1
  Sm  Sm263  1  0.830597  0.547462  0.560039  1
  Sm  Sm264  1  0.995633  0.529179  0.536261  1
  Sm  Sm265  1  0.162300  0.862513  0.536261  1
  Sm  Sm266  1  0.332113  0.898732  0.583583  1
  Sm  Sm267  1  0.330597  0.547462  0.560039  1
  Sm  Sm268  1  0.495633  0.529179  0.536261  1
  Sm  Sm269  1  0.665447  0.565398  0.583583  1
  Sm  Sm270  1  0.165447  0.565398  0.583583  1
  Sm  Sm271  1  0.577487  0.854430  0.511974  1
  Sm  Sm272  1  0.747264  0.891522  0.560074  1
  Sm  Sm273  1  0.912356  0.873034  0.535821  1
  Sm  Sm274  1  0.910821  0.521096  0.511974  1
  Sm  Sm275  1  0.077487  0.854430  0.511974  1
  Sm  Sm276  1  0.247264  0.891522  0.560074  1
  Sm  Sm277  1  0.412356  0.873034  0.535821  1
  Sm  Sm278  1  0.410821  0.521096  0.511974  1
  Sm  Sm279  1  0.580597  0.558188  0.560074  1
  Sm  Sm280  1  0.745690  0.539700  0.535821  1
  Sm  Sm281  1  0.744154  0.187763  0.511974  1
  Sm  Sm282  1  0.913930  0.224855  0.560074  1
  Sm  Sm283  1  0.080597  0.558188  0.560074  1
  Sm  Sm284  1  0.245690  0.539700  0.535821  1
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