# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.28604127
_cell_length_b   18.64383162
_cell_length_c   26.39299679
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm224
_cell_volume   7792.4532277
_cell_formula_units_Z   224
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  0.082097  0.350879  0.666883  1
  Sm  Sm2  1  0.078180  0.546458  0.664098  1
  Sm  Sm3  1  0.062727  0.731867  0.664801  1
  Sm  Sm4  1  0.056470  0.926156  0.664071  1
  Sm  Sm5  1  0.246511  0.134430  0.666296  1
  Sm  Sm6  1  0.267439  0.344429  0.667074  1
  Sm  Sm7  1  0.282114  0.557724  0.663703  1
  Sm  Sm8  1  0.277931  0.754894  0.662845  1
  Sm  Sm9  1  0.261168  0.941047  0.667768  1
  Sm  Sm10  1  0.460281  0.127985  0.666962  1
  Sm  Sm11  1  0.452965  0.320462  0.664856  1
  Sm  Sm12  1  0.467447  0.534028  0.668247  1
  Sm  Sm13  1  0.481489  0.747921  0.665467  1
  Sm  Sm14  1  0.480217  0.946743  0.665178  1
  Sm  Sm15  1  0.681535  0.122505  0.666750  1
  Sm  Sm16  1  0.661996  0.305771  0.669633  1
  Sm  Sm17  1  0.656715  0.502009  0.670503  1
  Sm  Sm18  1  0.665997  0.711060  0.667097  1
  Sm  Sm19  1  0.681941  0.926519  0.665738  1
  Sm  Sm20  1  0.894966  0.126053  0.665175  1
  Sm  Sm21  1  0.879309  0.320319  0.664011  1
  Sm  Sm22  1  0.864501  0.507283  0.666757  1
  Sm  Sm23  1  0.857781  0.701916  0.667928  1
  Sm  Sm24  1  0.862089  0.907686  0.666083  1
  Sm  Sm25  1  0.016385  0.027984  0.769042  1
  Sm  Sm26  1  0.016924  0.227416  0.776058  1
  Sm  Sm27  1  0.999016  0.413796  0.777556  1
  Sm  Sm28  1  0.993080  0.605145  0.777821  1
  Sm  Sm29  1  0.005337  0.814163  0.777130  1
  Sm  Sm30  1  0.205352  0.003092  0.779676  1
  Sm  Sm31  1  0.219033  0.216347  0.778088  1
  Sm  Sm32  1  0.221638  0.417647  0.779335  1
  Sm  Sm33  1  0.200410  0.596944  0.777424  1
  Sm  Sm34  1  0.191928  0.788742  0.777767  1
  Sm  Sm35  1  0.392167  0.971779  0.777997  1
  Sm  Sm36  1  0.402635  0.180563  0.777762  1
  Sm  Sm37  1  0.418323  0.395079  0.778868  1
  Sm  Sm38  1  0.419472  0.598016  0.779207  1
  Sm  Sm39  1  0.400307  0.780954  0.777399  1
  Sm  Sm40  1  0.599345  0.976304  0.778877  1
  Sm  Sm41  1  0.592717  0.167612  0.779962  1
  Sm  Sm42  1  0.599771  0.375681  0.780582  1
  Sm  Sm43  1  0.616333  0.593209  0.779920  1
  Sm  Sm44  1  0.618079  0.794872  0.777194  1
  Sm  Sm45  1  0.811977  0.014663  0.779744  1
  Sm  Sm46  1  0.801532  0.201409  0.777117  1
  Sm  Sm47  1  0.791481  0.390544  0.778868  1
  Sm  Sm48  1  0.802585  0.599012  0.780029  1
  Sm  Sm49  1  0.815072  0.811623  0.778914  1
  Sm  Sm50  1  0.071578  0.145594  0.881753  1
  Sm  Sm51  1  0.080966  0.357661  0.885693  1
  Sm  Sm52  1  0.070452  0.547936  0.887932  1
  Sm  Sm53  1  0.055522  0.732158  0.888363  1
  Sm  Sm54  1  0.056777  0.933380  0.884896  1
  Sm  Sm55  1  0.257113  0.131121  0.888840  1
  Sm  Sm56  1  0.268245  0.342650  0.888948  1
  Sm  Sm57  1  0.280796  0.553087  0.888666  1
  Sm  Sm58  1  0.271346  0.743277  0.888513  1
  Sm  Sm59  1  0.254593  0.928157  0.887536  1
  Sm  Sm60  1  0.453510  0.108336  0.887893  1
  Sm  Sm61  1  0.455171  0.308684  0.888387  1
  Sm  Sm62  1  0.467077  0.520445  0.888017  1
  Sm  Sm63  1  0.481091  0.736044  0.888434  1
  Sm  Sm64  1  0.471346  0.926785  0.889153  1
  Sm  Sm65  1  0.673558  0.111771  0.888395  1
  Sm  Sm66  1  0.657361  0.298101  0.889339  1
  Sm  Sm67  1  0.657840  0.500825  0.888246  1
  Sm  Sm68  1  0.667270  0.711615  0.887860  1
  Sm  Sm69  1  0.679937  0.920680  0.889155  1
  Sm  Sm70  1  0.881921  0.136165  0.887852  1
  Sm  Sm71  1  0.872238  0.323505  0.887042  1
  Sm  Sm72  1  0.857552  0.510040  0.887761  1
  Sm  Sm73  1  0.858149  0.714505  0.886480  1
  Sm  Sm74  1  0.871173  0.927273  0.884522  1
  Sm  Sm75  1  0.216892  0.202099  0.000534  1
  Sm  Sm76  1  0.214518  0.400138  0.000666  1
  Sm  Sm77  1  0.193349  0.580119  0.000460  1
  Sm  Sm78  1  0.191920  0.777646  0.000158  1
  Sm  Sm79  1  0.203887  0.989042  0.998865  1
  Sm  Sm80  1  0.404139  0.179406  0.000609  1
  Sm  Sm81  1  0.415637  0.389231  0.999228  1
  Sm  Sm82  1  0.412702  0.585440  0.999269  1
  Sm  Sm83  1  0.395369  0.770622  0.002951  1
  Sm  Sm84  1  0.391849  0.968742  0.002608  1
  Sm  Sm85  1  0.591887  0.176752  0.000642  1
  Sm  Sm86  1  0.605300  0.390072  0.000418  1
  Sm  Sm87  1  0.616028  0.599671  0.999495  1
  Sm  Sm88  1  0.610700  0.794419  0.001481  1
  Sm  Sm89  1  0.594666  0.978884  0.001938  1
  Sm  Sm90  1  0.794394  0.202415  0.000494  1
  Sm  Sm91  1  0.793892  0.400020  -0.000108  1
  Sm  Sm92  1  0.806846  0.612797  0.998481  1
  Sm  Sm93  1  0.814714  0.822350  0.997075  1
  Sm  Sm94  1  0.808772  0.017563  -0.000224  1
  Sm  Sm95  1  0.014016  0.219517  0.995310  1
  Sm  Sm96  1  0.994380  0.402093  0.998753  1
  Sm  Sm97  1  0.993075  0.601032  0.000872  1
  Sm  Sm98  1  0.005340  0.812868  0.998754  1
  Sm  Sm99  1  0.016100  0.022943  0.994622  1
  Sm  Sm100  1  0.146971  0.052697  0.109602  1
  Sm  Sm101  1  0.133853  0.241656  0.110035  1
  Sm  Sm102  1  0.128986  0.434851  0.111997  1
  Sm  Sm103  1  0.141365  0.644316  0.112835  1
  Sm  Sm104  1  0.150290  0.853934  0.110616  1
  Sm  Sm105  1  0.349279  0.067929  0.112092  1
  Sm  Sm106  1  0.349685  0.267327  0.112181  1
  Sm  Sm107  1  0.334576  0.449345  0.112999  1
  Sm  Sm108  1  0.328675  0.641967  0.112967  1
  Sm  Sm109  1  0.340205  0.856127  0.113819  1
  Sm  Sm110  1  0.539637  0.075396  0.112880  1
  Sm  Sm111  1  0.549095  0.284297  0.111645  1
  Sm  Sm112  1  0.547553  0.485099  0.111337  1
  Sm  Sm113  1  0.532957  0.671381  0.112603  1
  Sm  Sm114  1  0.529074  0.865549  0.113560  1
  Sm  Sm115  1  0.728627  0.073112  0.113184  1
  Sm  Sm116  1  0.740877  0.283537  0.112006  1
  Sm  Sm117  1  0.750135  0.493099  0.110703  1
  Sm  Sm118  1  0.748289  0.693304  0.110163  1
  Sm  Sm119  1  0.733166  0.879201  0.112777  1
  Sm  Sm120  1  0.935024  0.055097  0.109735  1
  Sm  Sm121  1  0.927851  0.248804  0.109789  1
  Sm  Sm122  1  0.941597  0.460330  0.110780  1
  Sm  Sm123  1  0.952121  0.670559  0.111615  1
  Sm  Sm124  1  0.949432  0.868675  0.110479  1
  Sm  Sm125  1  0.205646  0.981213  0.218466  1
  Sm  Sm126  1  0.211568  0.187397  0.218554  1
  Sm  Sm127  1  0.203168  0.376269  0.222398  1
  Sm  Sm128  1  0.190949  0.565217  0.222564  1
  Sm  Sm129  1  0.194167  0.770238  0.220832  1
  Sm  Sm130  1  0.396181  0.973052  0.220886  1
  Sm  Sm131  1  0.405240  0.182155  0.220587  1
  Sm  Sm132  1  0.412812  0.387550  0.221735  1
  Sm  Sm133  1  0.403456  0.576577  0.222698  1
  Sm  Sm134  1  0.392193  0.766935  0.221688  1
  Sm  Sm135  1  0.592052  0.982534  0.221755  1
  Sm  Sm136  1  0.595438  0.188341  0.220475  1
  Sm  Sm137  1  0.605990  0.398572  0.219591  1
  Sm  Sm138  1  0.612999  0.602984  0.220321  1
  Sm  Sm139  1  0.602690  0.791641  0.222392  1
  Sm  Sm140  1  0.801423  0.013512  0.222892  1
  Sm  Sm141  1  0.791701  0.204335  0.221579  1
  Sm  Sm142  1  0.796566  0.409641  0.219336  1
  Sm  Sm143  1  0.808502  0.621109  0.219239  1
  Sm  Sm144  1  0.811263  0.822802  0.221035  1
  Sm  Sm145  1  0.010700  0.011622  0.220706  1
  Sm  Sm146  1  1.001722  0.201971  0.220673  1
  Sm  Sm147  1  0.990094  0.391167  0.219319  1
  Sm  Sm148  1  0.994223  0.595874  0.219396  1
  Sm  Sm149  1  0.007657  0.808600  0.219289  1
  Sm  Sm150  1  0.141317  0.046959  0.329643  1
  Sm  Sm151  1  0.129047  0.236115  0.335595  1
  Sm  Sm152  1  0.129587  0.438400  0.335007  1
  Sm  Sm153  1  0.141752  0.649666  0.332469  1
  Sm  Sm154  1  0.148365  0.855120  0.330757  1
  Sm  Sm155  1  0.348135  0.071062  0.331415  1
  Sm  Sm156  1  0.338865  0.265046  0.331104  1
  Sm  Sm157  1  0.327800  0.453949  0.335475  1
  Sm  Sm158  1  0.330435  0.655584  0.334748  1
  Sm  Sm159  1  0.342501  0.866011  0.331974  1
  Sm  Sm160  1  0.543151  0.085787  0.332520  1
  Sm  Sm161  1  0.544653  0.288593  0.331828  1
  Sm  Sm162  1  0.537612  0.482484  0.333463  1
  Sm  Sm163  1  0.527795  0.671701  0.334599  1
  Sm  Sm164  1  0.531437  0.873942  0.333527  1
  Sm  Sm165  1  0.730216  0.071701  0.334528  1
  Sm  Sm166  1  0.742727  0.282669  0.331451  1
  Sm  Sm167  1  0.746567  0.486410  0.329783  1
  Sm  Sm168  1  0.737565  0.679055  0.332015  1
  Sm  Sm169  1  0.727769  0.869429  0.334705  1
  Sm  Sm170  1  0.930179  0.039832  0.335864  1
  Sm  Sm171  1  0.931167  0.243262  0.332499  1
  Sm  Sm172  1  0.942938  0.454883  0.330039  1
  Sm  Sm173  1  0.948688  0.659684  0.330959  1
  Sm  Sm174  1  0.939415  0.849108  0.331680  1
  Sm  Sm175  1  0.068593  0.126609  0.449449  1
  Sm  Sm176  1  0.077920  0.333462  0.447375  1
  Sm  Sm177  1  0.082608  0.541848  0.444559  1
  Sm  Sm178  1  0.074496  0.735613  0.443146  1
  Sm  Sm179  1  0.062342  0.923204  0.442214  1
  Sm  Sm180  1  0.264559  0.138838  0.441142  1
  Sm  Sm181  1  0.265554  0.339992  0.446887  1
  Sm  Sm182  1  0.276749  0.550090  0.446209  1
  Sm  Sm183  1  0.282292  0.757894  0.444543  1
  Sm  Sm184  1  0.273600  0.951272  0.443691  1
  Sm  Sm185  1  0.473722  0.152018  0.445945  1
  Sm  Sm186  1  0.463649  0.341276  0.445097  1
  Sm  Sm187  1  0.466583  0.542586  0.446819  1
  Sm  Sm188  1  0.479302  0.754643  0.445286  1
  Sm  Sm189  1  0.483870  0.960384  0.443353  1
  Sm  Sm190  1  0.685588  0.135246  0.446813  1
  Sm  Sm191  1  0.675220  0.326000  0.444277  1
  Sm  Sm192  1  0.664347  0.515615  0.444379  1
  Sm  Sm193  1  0.665132  0.716209  0.445227  1
  Sm  Sm194  1  0.679123  0.929549  0.446243  1
  Sm  Sm195  1  0.875877  0.113448  0.443986  1
  Sm  Sm196  1  0.883553  0.322300  0.441801  1
  Sm  Sm197  1  0.875210  0.514182  0.442240  1
  Sm  Sm198  1  0.864233  0.703863  0.443880  1
  Sm  Sm199  1  0.864760  0.903390  0.446337  1
  Sm  Sm200  1  0.129659  0.040310  0.551862  1
  Sm  Sm201  1  0.121520  0.234668  0.564248  1
  Sm  Sm202  1  0.133190  0.447687  0.553936  1
  Sm  Sm203  1  0.144256  0.658323  0.552444  1
  Sm  Sm204  1  0.142419  0.853798  0.552868  1
  Sm  Sm205  1  0.341216  0.076785  0.555635  1
  Sm  Sm206  1  0.328652  0.259050  0.550746  1
  Sm  Sm207  1  0.323731  0.454954  0.554974  1
  Sm  Sm208  1  0.332857  0.668110  0.552144  1
  Sm  Sm209  1  0.345496  0.882838  0.552803  1
  Sm  Sm210  1  0.545341  0.090372  0.554450  1
  Sm  Sm211  1  0.542851  0.286389  0.555445  1
  Sm  Sm212  1  0.528236  0.473929  0.556248  1
  Sm  Sm213  1  0.521725  0.668953  0.555152  1
  Sm  Sm214  1  0.532773  0.880880  0.553456  1
  Sm  Sm215  1  0.733499  0.064325  0.556153  1
  Sm  Sm216  1  0.744193  0.276922  0.554581  1
  Sm  Sm217  1  0.741029  0.473111  0.555490  1
  Sm  Sm218  1  0.726493  0.659717  0.554674  1
  Sm  Sm219  1  0.719958  0.853266  0.553721  1
  Sm  Sm220  1  0.924484  0.031683  0.555443  1
  Sm  Sm221  1  0.929590  0.241959  0.550727  1
  Sm  Sm222  1  0.943957  0.451075  0.552567  1
  Sm  Sm223  1  0.942102  0.646763  0.553076  1
  Sm  Sm224  1  0.928406  0.833653  0.554076  1
