# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.30340023
_cell_length_b   26.81439093
_cell_length_c   49.51787912
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.50433875
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm162
_cell_volume   12348.7206711
_cell_formula_units_Z   162
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  0.637467  0.288595  0.265984  1
  Sm  Sm2  1  1.009597  0.274216  0.289040  1
  Sm  Sm3  1  0.362492  0.268299  0.318327  1
  Sm  Sm4  1  0.367931  0.176926  0.266497  1
  Sm  Sm5  1  0.740540  0.165640  0.294243  1
  Sm  Sm6  1  0.098597  0.154676  0.321460  1
  Sm  Sm7  1  0.609692  0.078374  0.240891  1
  Sm  Sm8  1  0.989432  0.069750  0.264329  1
  Sm  Sm9  1  0.335698  0.058737  0.294127  1
  Sm  Sm10  1  0.714967  0.956424  0.270935  1
  Sm  Sm11  1  0.071618  0.941640  0.295065  1
  Sm  Sm12  1  0.350705  0.967509  0.244897  1
  Sm  Sm13  1  0.436509  0.844228  0.272342  1
  Sm  Sm14  1  0.804620  0.832766  0.300229  1
  Sm  Sm15  1  0.158986  0.822071  0.326770  1
  Sm  Sm16  1  0.394159  0.727160  0.298994  1
  Sm  Sm17  1  0.670641  0.746617  0.245908  1
  Sm  Sm18  1  0.050660  0.740057  0.268954  1
  Sm  Sm19  1  0.410870  0.634061  0.251178  1
  Sm  Sm20  1  0.782510  0.621243  0.274727  1
  Sm  Sm21  1  0.128375  0.617324  0.303534  1
  Sm  Sm22  1  0.525310  0.505534  0.279568  1
  Sm  Sm23  1  0.872768  0.499977  0.309126  1
  Sm  Sm24  1  0.152786  0.518922  0.256934  1
  Sm  Sm25  1  0.616003  0.384935  0.314005  1
  Sm  Sm26  1  0.895130  0.403527  0.261521  1
  Sm  Sm27  1  0.266752  0.390463  0.284889  1
  Sm  Sm28  1  0.711685  0.257820  0.342748  1
  Sm  Sm29  1  0.051560  0.247713  0.367724  1
  Sm  Sm30  1  0.394722  0.236966  0.392705  1
  Sm  Sm31  1  0.449615  0.145730  0.346794  1
  Sm  Sm32  1  0.792873  0.134625  0.372067  1
  Sm  Sm33  1  0.137299  0.124288  0.397336  1
  Sm  Sm34  1  0.678437  0.049467  0.317053  1
  Sm  Sm35  1  1.015589  0.038192  0.341230  1
  Sm  Sm36  1  0.360249  0.030044  0.367318  1
  Sm  Sm37  1  0.764718  0.926441  0.347564  1
  Sm  Sm38  1  0.106296  0.915825  0.372083  1
  Sm  Sm39  1  0.421393  0.935804  0.322706  1
  Sm  Sm40  1  0.506270  0.813221  0.352027  1
  Sm  Sm41  1  0.848077  0.802608  0.377226  1
  Sm  Sm42  1  0.192934  0.792316  0.402652  1
  Sm  Sm43  1  0.415063  0.696945  0.371972  1
  Sm  Sm44  1  0.734380  0.716116  0.321159  1
  Sm  Sm45  1  0.069269  0.708515  0.347483  1
  Sm  Sm46  1  0.473388  0.602589  0.326876  1
  Sm  Sm47  1  0.813921  0.595957  0.353184  1
  Sm  Sm48  1  0.158042  0.583721  0.377499  1
  Sm  Sm49  1  0.558418  0.479816  0.358361  1
  Sm  Sm50  1  0.903524  0.467872  0.382718  1
  Sm  Sm51  1  0.218827  0.487731  0.332050  1
  Sm  Sm52  1  0.647867  0.352753  0.387791  1
  Sm  Sm53  1  0.963676  0.372231  0.337051  1
  Sm  Sm54  1  0.303577  0.364422  0.363306  1
  Sm  Sm55  1  0.739010  0.226744  0.418147  1
  Sm  Sm56  1  0.084416  0.216568  0.443282  1
  Sm  Sm57  1  0.428516  0.206360  0.468702  1
  Sm  Sm58  1  0.482518  0.114145  0.422813  1
  Sm  Sm59  1  0.827994  0.103734  0.448000  1
  Sm  Sm60  1  0.172304  0.093513  0.473480  1
  Sm  Sm61  1  0.704292  0.019029  0.392479  1
  Sm  Sm62  1  0.049327  0.008664  0.417444  1
  Sm  Sm63  1  0.393852  -0.001420  0.443098  1
  Sm  Sm64  1  0.793565  0.895278  0.422799  1
  Sm  Sm65  1  0.137591  0.885211  0.447950  1
  Sm  Sm66  1  0.449059  0.905730  0.397474  1
  Sm  Sm67  1  0.537018  0.781917  0.427814  1
  Sm  Sm68  1  0.881654  0.771694  0.453297  1
  Sm  Sm69  1  0.225549  0.761393  0.478624  1
  Sm  Sm70  1  0.447017  0.666866  0.448692  1
  Sm  Sm71  1  0.758538  0.687497  0.398102  1
  Sm  Sm72  1  0.103665  0.676770  0.422927  1
  Sm  Sm73  1  0.501917  0.574822  0.403424  1
  Sm  Sm74  1  0.846865  0.564004  0.428504  1
  Sm  Sm75  1  0.190640  0.554277  0.453977  1
  Sm  Sm76  1  0.592847  0.448001  0.433517  1
  Sm  Sm77  1  0.936831  0.438054  0.459103  1
  Sm  Sm78  1  0.247327  0.458581  0.408623  1
  Sm  Sm79  1  0.682085  0.322457  0.463911  1
  Sm  Sm80  1  0.992044  0.342870  0.413255  1
  Sm  Sm81  1  0.337813  0.332578  0.438489  1
  Sm  Sm82  1  0.773169  0.195893  0.493819  1
  Sm  Sm83  1  0.117285  0.185857  0.519283  1
  Sm  Sm84  1  0.462639  0.175093  0.544220  1
  Sm  Sm85  1  0.517206  0.083092  0.498694  1
  Sm  Sm86  1  0.861281  0.073237  0.524147  1
  Sm  Sm87  1  0.207330  0.062338  0.549178  1
  Sm  Sm88  1  0.738680  0.988279  0.468361  1
  Sm  Sm89  1  0.083176  0.977997  0.493638  1
  Sm  Sm90  1  0.428563  0.967781  0.519049  1
  Sm  Sm91  1  0.825596  0.864398  0.498499  1
  Sm  Sm92  1  0.170080  0.854530  0.523609  1
  Sm  Sm93  1  0.481685  0.874849  0.473100  1
  Sm  Sm94  1  0.569790  0.751047  0.503992  1
  Sm  Sm95  1  0.914316  0.740726  0.529518  1
  Sm  Sm96  1  0.257349  0.731135  0.555151  1
  Sm  Sm97  1  0.479247  0.635796  0.524414  1
  Sm  Sm98  1  0.791491  0.656487  0.473846  1
  Sm  Sm99  1  0.134711  0.646372  0.499431  1
  Sm  Sm100  1  0.534850  0.543556  0.479089  1
  Sm  Sm101  1  0.878159  0.533738  0.504692  1
  Sm  Sm102  1  0.222599  0.523201  0.529557  1
  Sm  Sm103  1  0.625149  0.417378  0.509492  1
  Sm  Sm104  1  0.970421  0.407273  0.534747  1
  Sm  Sm105  1  0.281405  0.427585  0.484113  1
  Sm  Sm106  1  0.716068  0.291586  0.539436  1
  Sm  Sm107  1  0.026580  0.312062  0.488952  1
  Sm  Sm108  1  0.370527  0.301887  0.514384  1
  Sm  Sm109  1  0.806378  0.166114  0.570186  1
  Sm  Sm110  1  0.152405  0.154058  0.594468  1
  Sm  Sm111  1  0.493386  0.146129  0.620948  1
  Sm  Sm112  1  0.551415  0.052545  0.575450  1
  Sm  Sm113  1  0.895574  0.041224  0.599083  1
  Sm  Sm114  1  0.231218  0.035020  0.625725  1
  Sm  Sm115  1  0.773851  0.957386  0.544108  1
  Sm  Sm116  1  0.119142  0.947036  0.569677  1
  Sm  Sm117  1  0.463757  0.936225  0.594604  1
  Sm  Sm118  1  0.855328  0.833089  0.573399  1
  Sm  Sm119  1  0.192294  0.823268  0.599146  1
  Sm  Sm120  1  0.512942  0.843834  0.548531  1
  Sm  Sm121  1  0.598775  0.719398  0.579945  1
  Sm  Sm122  1  0.940790  0.714269  0.606843  1
  Sm  Sm123  1  0.285079  0.698774  0.630763  1
  Sm  Sm124  1  0.510681  0.606663  0.601691  1
  Sm  Sm125  1  0.823328  0.626063  0.550547  1
  Sm  Sm126  1  0.168773  0.615962  0.575423  1
  Sm  Sm127  1  0.567045  0.513342  0.555127  1
  Sm  Sm128  1  0.912521  0.502916  0.580645  1
  Sm  Sm129  1  0.251616  0.491644  0.604792  1
  Sm  Sm130  1  0.660144  0.386322  0.585037  1
  Sm  Sm131  1  0.999933  0.377397  0.610869  1
  Sm  Sm132  1  0.315161  0.397068  0.560119  1
  Sm  Sm133  1  0.746022  0.261988  0.615998  1
  Sm  Sm134  1  0.060338  0.281914  0.565196  1
  Sm  Sm135  1  0.406555  0.269945  0.589631  1
  Sm  Sm136  1  0.837515  0.130011  0.643865  1
  Sm  Sm137  1  0.179544  0.127901  0.673603  1
  Sm  Sm138  1  0.552883  0.111609  0.694883  1
  Sm  Sm139  1  0.575719  0.015075  0.648558  1
  Sm  Sm140  1  0.924523  0.005767  0.677473  1
  Sm  Sm141  1  0.307953  -0.001997  0.700679  1
  Sm  Sm142  1  0.819733  0.926957  0.620026  1
  Sm  Sm143  1  0.194083  0.915809  0.647952  1
  Sm  Sm144  1  0.581693  0.888221  0.678855  1
  Sm  Sm145  1  0.909470  0.813278  0.654020  1
  Sm  Sm146  1  0.264857  0.794363  0.677405  1
  Sm  Sm147  1  0.544368  0.817514  0.621611  1
  Sm  Sm148  1  0.626740  0.714245  0.659597  1
  Sm  Sm149  1  0.972045  0.679817  0.681766  1
  Sm  Sm150  1  0.337500  0.670452  0.706521  1
  Sm  Sm151  1  0.575652  0.581391  0.677252  1
  Sm  Sm152  1  0.854656  0.598238  0.625963  1
  Sm  Sm153  1  0.201858  0.581621  0.652310  1
  Sm  Sm154  1  0.596068  0.482728  0.629759  1
  Sm  Sm155  1  0.943849  0.475066  0.658216  1
  Sm  Sm156  1  0.317101  0.460724  0.681377  1
  Sm  Sm157  1  0.691313  0.358913  0.662955  1
  Sm  Sm158  1  0.061493  0.345547  0.685768  1
  Sm  Sm159  1  0.345964  0.364234  0.633916  1
  Sm  Sm160  1  0.807235  0.228441  0.690265  1
  Sm  Sm161  1  0.090845  0.248615  0.638721  1
  Sm  Sm162  1  0.435987  0.242814  0.668097  1
