# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.34072017
_cell_length_b   18.33528693
_cell_length_c   50.89459928
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.29647221
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm180
_cell_volume   13559.4635388
_cell_formula_units_Z   180
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  0.404524  0.636566  0.236980  1
  Sm  Sm2  1  0.737857  0.303233  0.236980  1
  Sm  Sm3  1  0.640979  0.558177  0.263070  1
  Sm  Sm4  1  0.032272  0.573370  0.253207  1
  Sm  Sm5  1  0.365605  0.240037  0.253207  1
  Sm  Sm6  1  0.698939  0.906704  0.253207  1
  Sm  Sm7  1  0.071191  0.969900  0.236980  1
  Sm  Sm8  1  0.974312  0.224844  0.263070  1
  Sm  Sm9  1  0.307646  0.891510  0.263070  1
  Sm  Sm10  1  0.541774  0.775994  0.248067  1
  Sm  Sm11  1  0.875107  0.442660  0.248067  1
  Sm  Sm12  1  0.780654  0.701982  0.273423  1
  Sm  Sm13  1  0.150105  0.749974  0.257568  1
  Sm  Sm14  1  0.483439  0.416640  0.257568  1
  Sm  Sm15  1  0.816772  0.083307  0.257568  1
  Sm  Sm16  1  0.208441  0.109327  0.248067  1
  Sm  Sm17  1  0.113988  0.368648  0.273423  1
  Sm  Sm18  1  0.447321  0.035315  0.273423  1
  Sm  Sm19  1  0.257507  0.553415  0.281667  1
  Sm  Sm20  1  0.590840  0.220081  0.281667  1
  Sm  Sm21  1  0.483344  0.526922  0.315766  1
  Sm  Sm22  1  0.889353  0.530559  0.307450  1
  Sm  Sm23  1  0.222686  0.197225  0.307450  1
  Sm  Sm24  1  0.556019  0.863892  0.307450  1
  Sm  Sm25  1  0.924174  0.886748  0.281667  1
  Sm  Sm26  1  0.816677  0.193589  0.315766  1
  Sm  Sm27  1  0.150011  0.860255  0.315766  1
  Sm  Sm28  1  0.374822  0.720089  0.296103  1
  Sm  Sm29  1  0.708155  0.386755  0.296103  1
  Sm  Sm30  1  0.601119  0.673591  0.320709  1
  Sm  Sm31  1  0.993154  0.698850  0.307295  1
  Sm  Sm32  1  0.326487  0.365516  0.307295  1
  Sm  Sm33  1  0.659820  0.032183  0.307295  1
  Sm  Sm34  1  0.041488  0.053422  0.296103  1
  Sm  Sm35  1  0.934453  0.340258  0.320709  1
  Sm  Sm36  1  0.267786  0.006925  0.320709  1
  Sm  Sm37  1  0.109079  0.506657  0.331659  1
  Sm  Sm38  1  0.442413  0.173323  0.331659  1
  Sm  Sm39  1  0.317890  0.483850  0.364286  1
  Sm  Sm40  1  0.709784  0.496452  0.350163  1
  Sm  Sm41  1  0.043117  0.163119  0.350163  1
  Sm  Sm42  1  0.376450  0.829785  0.350163  1
  Sm  Sm43  1  0.775746  0.839990  0.331659  1
  Sm  Sm44  1  0.651224  0.150516  0.364286  1
  Sm  Sm45  1  0.984557  0.817183  0.364286  1
  Sm  Sm46  1  0.202812  0.672177  0.337997  1
  Sm  Sm47  1  0.536145  0.338843  0.337997  1
  Sm  Sm48  1  0.411072  0.647593  0.367535  1
  Sm  Sm49  1  0.797686  0.667487  0.352730  1
  Sm  Sm50  1  0.131019  0.334154  0.352730  1
  Sm  Sm51  1  0.464352  1.000820  0.352730  1
  Sm  Sm52  1  0.869478  0.005510  0.337997  1
  Sm  Sm53  1  0.744405  0.314259  0.367535  1
  Sm  Sm54  1  0.077739  0.980926  0.367535  1
  Sm  Sm55  1  0.923286  0.473638  0.379171  1
  Sm  Sm56  1  0.256619  0.140304  0.379171  1
  Sm  Sm57  1  0.133614  0.450394  0.409022  1
  Sm  Sm58  1  0.528560  0.462153  0.394305  1
  Sm  Sm59  1  0.861893  0.128819  0.394305  1
  Sm  Sm60  1  0.195226  0.795486  0.394305  1
  Sm  Sm61  1  0.589952  0.806971  0.379171  1
  Sm  Sm62  1  0.466948  0.117061  0.409022  1
  Sm  Sm63  1  0.800281  0.783728  0.409022  1
  Sm  Sm64  1  1.010328  0.635050  0.379526  1
  Sm  Sm65  1  0.343661  0.301717  0.379526  1
  Sm  Sm66  1  0.217717  0.615911  0.410224  1
  Sm  Sm67  1  0.614642  0.628239  0.396566  1
  Sm  Sm68  1  0.947975  0.294905  0.396566  1
  Sm  Sm69  1  0.281308  0.961572  0.396566  1
  Sm  Sm70  1  0.676995  0.968383  0.379526  1
  Sm  Sm71  1  0.551050  0.282578  0.410224  1
  Sm  Sm72  1  0.884383  0.949244  0.410224  1
  Sm  Sm73  1  0.739015  0.437864  0.423663  1
  Sm  Sm74  1  0.072348  0.104531  0.423663  1
  Sm  Sm75  1  0.947600  0.415054  0.453667  1
  Sm  Sm76  1  0.342764  0.426157  0.438183  1
  Sm  Sm77  1  0.676098  0.092824  0.438183  1
  Sm  Sm78  1  1.009431  0.759491  0.438183  1
  Sm  Sm79  1  0.405682  0.771198  0.423663  1
  Sm  Sm80  1  0.280933  0.081721  0.453667  1
  Sm  Sm81  1  0.614266  0.748387  0.453667  1
  Sm  Sm82  1  0.823181  0.603407  0.425098  1
  Sm  Sm83  1  0.156514  0.270073  0.425098  1
  Sm  Sm84  1  0.031804  0.580174  0.454539  1
  Sm  Sm85  1  0.426286  0.591291  0.440338  1
  Sm  Sm86  1  0.759620  0.257958  0.440338  1
  Sm  Sm87  1  0.092953  0.924624  0.440338  1
  Sm  Sm88  1  0.489848  0.936740  0.425098  1
  Sm  Sm89  1  0.365137  0.246841  0.454539  1
  Sm  Sm90  1  0.698470  0.913507  0.454539  1
  Sm  Sm91  1  0.552075  0.402329  0.468126  1
  Sm  Sm92  1  0.885408  0.068996  0.468126  1
  Sm  Sm93  1  0.760697  0.379096  0.497567  1
  Sm  Sm94  1  0.157592  0.391212  0.482327  1
  Sm  Sm95  1  0.490925  0.057878  0.482327  1
  Sm  Sm96  1  0.824258  0.724545  0.482327  1
  Sm  Sm97  1  0.218741  0.735662  0.468126  1
  Sm  Sm98  1  0.094031  0.045763  0.497567  1
  Sm  Sm99  1  0.427364  0.712430  0.497567  1
  Sm  Sm100  1  0.636278  0.567449  0.468998  1
  Sm  Sm101  1  0.969612  0.234115  0.468998  1
  Sm  Sm102  1  0.844863  0.544639  0.499002  1
  Sm  Sm103  1  0.241114  0.556346  0.484483  1
  Sm  Sm104  1  0.574447  0.223012  0.484483  1
  Sm  Sm105  1  0.907780  0.889679  0.484483  1
  Sm  Sm106  1  0.302945  0.900782  0.468998  1
  Sm  Sm107  1  0.178197  0.211305  0.499002  1
  Sm  Sm108  1  0.511530  0.877972  0.499002  1
  Sm  Sm109  1  0.366162  0.366592  0.512441  1
  Sm  Sm110  1  0.699495  0.033259  0.512441  1
  Sm  Sm111  1  0.573550  0.347453  0.543139  1
  Sm  Sm112  1  0.969236  0.354264  0.526099  1
  Sm  Sm113  1  0.302570  0.020931  0.526099  1
  Sm  Sm114  1  0.635903  0.687598  0.526099  1
  Sm  Sm115  1  0.032828  0.699925  0.512441  1
  Sm  Sm116  1  0.906884  0.014120  0.543139  1
  Sm  Sm117  1  0.240217  0.680786  0.543139  1
  Sm  Sm118  1  0.450264  0.532109  0.513643  1
  Sm  Sm119  1  0.783597  0.198775  0.513643  1
  Sm  Sm120  1  0.660593  0.508865  0.543495  1
  Sm  Sm121  1  0.055319  0.520350  0.528361  1
  Sm  Sm122  1  0.388652  0.187017  0.528361  1
  Sm  Sm123  1  0.721985  0.853684  0.528361  1
  Sm  Sm124  1  0.116931  0.865442  0.513643  1
  Sm  Sm125  1  0.993926  0.175532  0.543495  1
  Sm  Sm126  1  0.327259  0.842198  0.543495  1
  Sm  Sm127  1  0.172806  0.334910  0.555130  1
  Sm  Sm128  1  0.506140  1.001577  0.555130  1
  Sm  Sm129  1  0.381067  0.310326  0.584669  1
  Sm  Sm130  1  0.786192  0.315016  0.569935  1
  Sm  Sm131  1  0.119526  0.981683  0.569935  1
  Sm  Sm132  1  0.452859  0.648349  0.569935  1
  Sm  Sm133  1  0.839473  0.668244  0.555130  1
  Sm  Sm134  1  0.714400  0.976993  0.584669  1
  Sm  Sm135  1  0.047733  0.643659  0.584669  1
  Sm  Sm136  1  0.265988  0.498653  0.558379  1
  Sm  Sm137  1  0.599321  0.165320  0.558379  1
  Sm  Sm138  1  0.474799  0.475846  0.591006  1
  Sm  Sm139  1  0.874095  0.486051  0.572502  1
  Sm  Sm140  1  0.207428  0.152717  0.572502  1
  Sm  Sm141  1  0.540761  0.819384  0.572502  1
  Sm  Sm142  1  0.932655  0.831987  0.558379  1
  Sm  Sm143  1  0.808132  0.142513  0.591006  1
  Sm  Sm144  1  0.141466  0.809180  0.591006  1
  Sm  Sm145  1  0.982759  0.308912  0.601957  1
  Sm  Sm146  1  0.316092  0.975578  0.601957  1
  Sm  Sm147  1  0.209057  0.262414  0.626562  1
  Sm  Sm148  1  0.590724  0.283653  0.615370  1
  Sm  Sm149  1  0.924058  0.950320  0.615370  1
  Sm  Sm150  1  0.257391  0.616987  0.615370  1
  Sm  Sm151  1  0.649426  0.642245  0.601957  1
  Sm  Sm152  1  0.542390  0.929081  0.626562  1
  Sm  Sm153  1  0.875723  0.595748  0.626562  1
  Sm  Sm154  1  0.100534  0.455581  0.606899  1
  Sm  Sm155  1  0.433868  0.122247  0.606899  1
  Sm  Sm156  1  0.326371  0.429088  0.640998  1
  Sm  Sm157  1  0.694526  0.451944  0.615215  1
  Sm  Sm158  1  0.027859  0.118611  0.615215  1
  Sm  Sm159  1  0.361192  0.785278  0.615215  1
  Sm  Sm160  1  0.767201  0.788914  0.606899  1
  Sm  Sm161  1  0.659705  0.095755  0.640998  1
  Sm  Sm162  1  0.993038  0.762422  0.640998  1
  Sm  Sm163  1  0.803224  0.280521  0.649242  1
  Sm  Sm164  1  0.136557  0.947188  0.649242  1
  Sm  Sm165  1  0.042104  0.206509  0.674598  1
  Sm  Sm166  1  0.433773  0.232529  0.665098  1
  Sm  Sm167  1  0.767106  0.899196  0.665098  1
  Sm  Sm168  1  0.100440  0.565862  0.665098  1
  Sm  Sm169  1  0.469891  0.613854  0.649242  1
  Sm  Sm170  1  0.375438  0.873176  0.674598  1
  Sm  Sm171  1  0.708771  0.539843  0.674598  1
  Sm  Sm172  1  0.942899  0.424326  0.659595  1
  Sm  Sm173  1  0.276233  0.090993  0.659595  1
  Sm  Sm174  1  0.179354  0.345937  0.685685  1
  Sm  Sm175  1  0.551606  0.409133  0.669458  1
  Sm  Sm176  1  0.884940  0.075799  0.669458  1
  Sm  Sm177  1  0.218273  0.742466  0.669458  1
  Sm  Sm178  1  0.609566  0.757659  0.659595  1
  Sm  Sm179  1  0.512688  0.012603  0.685685  1
  Sm  Sm180  1  0.846021  0.679270  0.685685  1
