# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   26.19748515
_cell_length_b   12.55050297
_cell_length_c   51.35932130
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm216
_cell_volume   16886.5142031
_cell_formula_units_Z   216
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  0.359765  0.510432  0.255513  1
  Sm  Sm2  1  0.356224  0.067874  0.292320  1
  Sm  Sm3  1  0.359693  0.792180  0.274250  1
  Sm  Sm4  1  0.245271  0.619873  0.289005  1
  Sm  Sm5  1  0.250621  0.304801  0.265452  1
  Sm  Sm6  1  0.254621  0.974634  0.251459  1
  Sm  Sm7  1  0.142003  0.526830  0.249498  1
  Sm  Sm8  1  0.141125  0.083839  0.285473  1
  Sm  Sm9  1  0.135394  0.812920  0.265974  1
  Sm  Sm10  1  0.026836  0.370806  0.268643  1
  Sm  Sm11  1  0.028854  0.089572  0.249648  1
  Sm  Sm12  1  0.016170  0.650569  0.283809  1
  Sm  Sm13  1  0.910336  0.472619  0.304102  1
  Sm  Sm14  1  0.914067  0.191923  0.284397  1
  Sm  Sm15  1  0.914915  0.904633  0.262341  1
  Sm  Sm16  1  0.804609  0.662669  0.277596  1
  Sm  Sm17  1  0.809866  0.380255  0.260893  1
  Sm  Sm18  1  0.806359  0.101445  0.243470  1
  Sm  Sm19  1  0.691036  0.490344  0.298213  1
  Sm  Sm20  1  0.692035  0.215015  0.280013  1
  Sm  Sm21  1  0.691818  0.932504  0.261359  1
  Sm  Sm22  1  0.588205  0.396292  0.257788  1
  Sm  Sm23  1  0.578924  0.043112  0.295051  1
  Sm  Sm24  1  0.583267  0.723593  0.271755  1
  Sm  Sm25  1  0.473084  0.505592  0.291384  1
  Sm  Sm26  1  0.468430  0.234447  0.271884  1
  Sm  Sm27  1  0.478009  0.947037  0.255469  1
  Sm  Sm28  1  0.354747  0.337194  0.311538  1
  Sm  Sm29  1  0.352787  0.863535  0.348659  1
  Sm  Sm30  1  0.354656  0.603583  0.329722  1
  Sm  Sm31  1  0.239408  0.429413  0.346669  1
  Sm  Sm32  1  0.241855  0.160168  0.327890  1
  Sm  Sm33  1  0.242697  0.887847  0.313470  1
  Sm  Sm34  1  0.139016  0.346753  0.305080  1
  Sm  Sm35  1  0.129271  0.870279  0.341604  1
  Sm  Sm36  1  0.129489  0.612404  0.321572  1
  Sm  Sm37  1  0.023236  0.180913  0.323900  1
  Sm  Sm38  1  0.022993  0.914460  0.305926  1
  Sm  Sm39  1  0.018028  0.443099  0.341474  1
  Sm  Sm40  1  0.904468  0.272304  0.359428  1
  Sm  Sm41  1  0.906520  1.009619  0.341381  1
  Sm  Sm42  1  0.906918  0.743743  0.323416  1
  Sm  Sm43  1  0.797573  0.450478  0.334482  1
  Sm  Sm44  1  0.800057  0.191939  0.317187  1
  Sm  Sm45  1  0.802855  0.928048  0.300192  1
  Sm  Sm46  1  0.685081  0.284548  0.354601  1
  Sm  Sm47  1  0.685492  1.025328  0.336213  1
  Sm  Sm48  1  0.687795  0.758961  0.317653  1
  Sm  Sm49  1  0.574840  0.311048  0.319771  1
  Sm  Sm50  1  0.572108  0.850164  0.352657  1
  Sm  Sm51  1  0.574483  0.581788  0.334022  1
  Sm  Sm52  1  0.460957  0.290964  0.347385  1
  Sm  Sm53  1  0.464927  0.033368  0.328496  1
  Sm  Sm54  1  0.470781  0.770078  0.310995  1
  Sm  Sm55  1  0.346909  0.124545  0.365947  1
  Sm  Sm56  1  0.344745  0.653098  0.402809  1
  Sm  Sm57  1  0.346048  0.389157  0.384120  1
  Sm  Sm58  1  0.231632  0.222903  0.402629  1
  Sm  Sm59  1  0.234255  0.956941  0.384851  1
  Sm  Sm60  1  0.236371  0.691324  0.365547  1
  Sm  Sm61  1  0.130012  0.130590  0.359277  1
  Sm  Sm62  1  0.123627  0.661479  0.395929  1
  Sm  Sm63  1  0.126386  0.397307  0.377045  1
  Sm  Sm64  1  0.013434  0.967728  0.378167  1
  Sm  Sm65  1  0.014890  0.703015  0.359729  1
  Sm  Sm66  1  0.011973  0.232592  0.396500  1
  Sm  Sm67  1  0.897119  0.065960  0.414968  1
  Sm  Sm68  1  0.898946  0.801057  0.396746  1
  Sm  Sm69  1  0.901344  0.535786  0.378333  1
  Sm  Sm70  1  0.792127  0.239802  0.390195  1
  Sm  Sm71  1  0.793775  0.973986  0.371546  1
  Sm  Sm72  1  0.795400  0.708523  0.353208  1
  Sm  Sm73  1  0.677219  0.074254  0.409005  1
  Sm  Sm74  1  0.678759  0.809872  0.390194  1
  Sm  Sm75  1  0.680131  0.545739  0.371902  1
  Sm  Sm76  1  0.568775  0.113445  0.372010  1
  Sm  Sm77  1  0.564437  0.643947  0.408749  1
  Sm  Sm78  1  0.566532  0.378874  0.391005  1
  Sm  Sm79  1  0.456084  0.082762  0.402263  1
  Sm  Sm80  1  0.459997  0.817702  0.383584  1
  Sm  Sm81  1  0.462207  0.552370  0.365131  1
  Sm  Sm82  1  0.342820  0.917474  0.421446  1
  Sm  Sm83  1  0.337426  0.446277  0.457763  1
  Sm  Sm84  1  0.339393  0.182023  0.439309  1
  Sm  Sm85  1  0.225547  1.016067  0.458229  1
  Sm  Sm86  1  0.227825  0.751124  0.439363  1
  Sm  Sm87  1  0.229519  0.486963  0.420886  1
  Sm  Sm88  1  0.121578  0.926255  0.414973  1
  Sm  Sm89  1  0.117570  0.454558  0.451409  1
  Sm  Sm90  1  0.119777  0.190762  0.433001  1
  Sm  Sm91  1  0.007108  0.760588  0.433143  1
  Sm  Sm92  1  0.009755  0.496262  0.415063  1
  Sm  Sm93  1  0.005004  1.025161  0.451633  1
  Sm  Sm94  1  0.890306  0.859444  0.470233  1
  Sm  Sm95  1  0.892870  0.594763  0.451948  1
  Sm  Sm96  1  0.895165  0.330354  0.433412  1
  Sm  Sm97  1  0.784967  0.032932  0.445419  1
  Sm  Sm98  1  0.786713  0.768746  0.426888  1
  Sm  Sm99  1  0.788756  0.504266  0.408570  1
  Sm  Sm100  1  0.670145  0.867418  0.463937  1
  Sm  Sm101  1  0.672071  0.603448  0.445518  1
  Sm  Sm102  1  0.675023  0.338981  0.427569  1
  Sm  Sm103  1  0.562393  0.907957  0.427121  1
  Sm  Sm104  1  0.557940  0.437566  0.464460  1
  Sm  Sm105  1  0.560258  0.172441  0.445576  1
  Sm  Sm106  1  0.450421  0.875656  0.457712  1
  Sm  Sm107  1  0.452555  0.611662  0.439207  1
  Sm  Sm108  1  0.453977  0.347636  0.421024  1
  Sm  Sm109  1  0.335770  0.710365  0.476358  1
  Sm  Sm110  1  0.330376  0.239169  0.512675  1
  Sm  Sm111  1  0.333804  0.974619  0.494812  1
  Sm  Sm112  1  0.219219  0.809006  0.513097  1
  Sm  Sm113  1  0.220641  0.544980  0.494914  1
  Sm  Sm114  1  0.222775  0.280986  0.476409  1
  Sm  Sm115  1  0.115256  0.719077  0.469661  1
  Sm  Sm116  1  0.110803  0.248686  0.507000  1
  Sm  Sm117  1  0.112939  0.984201  0.488545  1
  Sm  Sm118  1  1.001125  0.553194  0.488603  1
  Sm  Sm119  1  1.003051  0.289225  0.470184  1
  Sm  Sm120  1  0.998173  0.817661  0.506552  1
  Sm  Sm121  1  0.884440  0.652376  0.525551  1
  Sm  Sm122  1  0.886483  0.387896  0.507233  1
  Sm  Sm123  1  0.888229  0.123710  0.488701  1
  Sm  Sm124  1  0.778031  0.826288  0.500709  1
  Sm  Sm125  1  0.780327  0.561879  0.482173  1
  Sm  Sm126  1  0.782890  0.297199  0.463888  1
  Sm  Sm127  1  0.663441  0.660381  0.519058  1
  Sm  Sm128  1  0.666088  0.396055  0.500978  1
  Sm  Sm129  1  0.668192  0.131481  0.482488  1
  Sm  Sm130  1  0.555626  0.702085  0.482712  1
  Sm  Sm131  1  0.551618  0.230388  0.519148  1
  Sm  Sm132  1  0.553419  0.965880  0.501120  1
  Sm  Sm133  1  0.443677  0.669679  0.513235  1
  Sm  Sm134  1  0.445371  0.405519  0.494758  1
  Sm  Sm135  1  0.447649  0.140575  0.475892  1
  Sm  Sm136  1  0.328451  0.503545  0.531312  1
  Sm  Sm137  1  0.326287  0.032098  0.568174  1
  Sm  Sm138  1  0.327149  0.767485  0.550001  1
  Sm  Sm139  1  0.210989  0.604272  0.568990  1
  Sm  Sm140  1  0.213199  0.338940  0.550537  1
  Sm  Sm141  1  0.217112  0.073880  0.531858  1
  Sm  Sm142  1  0.108759  0.512695  0.525371  1
  Sm  Sm143  1  0.104421  0.043197  0.562111  1
  Sm  Sm144  1  0.106665  0.777768  0.543116  1
  Sm  Sm145  1  0.994437  0.346770  0.543927  1
  Sm  Sm146  1  0.995977  0.082389  0.525116  1
  Sm  Sm147  1  0.993065  0.610903  0.562218  1
  Sm  Sm148  1  0.877796  0.448119  0.580913  1
  Sm  Sm149  1  0.879421  0.182656  0.562575  1
  Sm  Sm150  1  0.881069  0.916840  0.543925  1
  Sm  Sm151  1  0.771852  0.620856  0.555788  1
  Sm  Sm152  1  0.774250  0.355585  0.537375  1
  Sm  Sm153  1  0.776077  0.090682  0.519153  1
  Sm  Sm154  1  0.658306  0.453627  0.574392  1
  Sm  Sm155  1  0.659762  0.188914  0.555954  1
  Sm  Sm156  1  0.661223  0.924051  0.537621  1
  Sm  Sm157  1  0.549569  0.495164  0.538191  1
  Sm  Sm158  1  0.543184  1.026053  0.574843  1
  Sm  Sm159  1  0.546810  0.759336  0.557076  1
  Sm  Sm160  1  0.436825  0.465319  0.568573  1
  Sm  Sm161  1  0.438941  0.199701  0.549269  1
  Sm  Sm162  1  0.441564  0.933739  0.531492  1
  Sm  Sm163  1  0.320409  0.293107  0.585462  1
  Sm  Sm164  1  0.318449  0.819448  0.622583  1
  Sm  Sm165  1  0.318540  0.553060  0.604398  1
  Sm  Sm166  1  0.202415  0.386565  0.623126  1
  Sm  Sm167  1  0.208269  0.123275  0.605625  1
  Sm  Sm168  1  0.212239  0.865679  0.586736  1
  Sm  Sm169  1  0.101088  0.306479  0.581464  1
  Sm  Sm170  1  0.098356  0.845594  0.614350  1
  Sm  Sm171  1  0.098713  0.574854  0.600099  1
  Sm  Sm172  1  0.987704  0.131314  0.597908  1
  Sm  Sm173  1  0.988115  0.872095  0.579520  1
  Sm  Sm174  1  0.985401  0.397681  0.616468  1
  Sm  Sm175  1  0.870341  0.228594  0.633929  1
  Sm  Sm176  1  0.873139  0.964704  0.616934  1
  Sm  Sm177  1  0.875623  0.706164  0.599638  1
  Sm  Sm178  1  0.766278  0.412900  0.610705  1
  Sm  Sm179  1  0.766676  0.147024  0.592740  1
  Sm  Sm180  1  0.768728  0.884339  0.574693  1
  Sm  Sm181  1  0.650203  0.242182  0.628195  1
  Sm  Sm182  1  0.649960  0.975730  0.610221  1
  Sm  Sm183  1  0.655168  0.713543  0.592647  1
  Sm  Sm184  1  0.543925  0.286363  0.592517  1
  Sm  Sm185  1  0.534180  0.809890  0.629041  1
  Sm  Sm186  1  0.543707  0.544238  0.612549  1
  Sm  Sm187  1  0.430499  0.268795  0.620650  1
  Sm  Sm188  1  0.431341  0.996474  0.606231  1
  Sm  Sm189  1  0.433788  0.727230  0.587452  1
  Sm  Sm190  1  0.316973  0.088768  0.641801  1
  Sm  Sm191  1  0.313431  0.646210  0.678608  1
  Sm  Sm192  1  0.313503  0.364463  0.659871  1
  Sm  Sm193  1  0.195187  0.209606  0.678652  1
  Sm  Sm194  1  0.204766  0.922195  0.662237  1
  Sm  Sm195  1  0.200112  0.651050  0.642736  1
  Sm  Sm196  1  0.094272  0.113530  0.639070  1
  Sm  Sm197  1  0.084991  0.760351  0.676333  1
  Sm  Sm198  1  0.089929  0.433050  0.662366  1
  Sm  Sm199  1  0.981161  0.941627  0.654108  1
  Sm  Sm200  1  0.982160  0.666298  0.635908  1
  Sm  Sm201  1  0.981379  0.224139  0.672762  1
  Sm  Sm202  1  0.866837  0.055197  0.690651  1
  Sm  Sm203  1  0.863330  0.776388  0.673228  1
  Sm  Sm204  1  0.868587  0.493973  0.656525  1
  Sm  Sm205  1  0.758281  0.252009  0.671780  1
  Sm  Sm206  1  0.759130  0.964720  0.649723  1
  Sm  Sm207  1  0.762860  0.684023  0.630019  1
  Sm  Sm208  1  0.644342  0.067071  0.684473  1
  Sm  Sm209  1  0.646360  0.785836  0.665478  1
  Sm  Sm210  1  0.657026  0.506074  0.650312  1
  Sm  Sm211  1  0.532071  0.072803  0.648648  1
  Sm  Sm212  1  0.531193  0.629812  0.684623  1
  Sm  Sm213  1  0.537802  0.343723  0.668146  1
  Sm  Sm214  1  0.418575  0.182008  0.682662  1
  Sm  Sm215  1  0.422575  0.851842  0.668669  1
  Sm  Sm216  1  0.427925  0.536770  0.645115  1
