# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.75219564
_cell_length_b   16.46077607
_cell_length_c   47.57595654
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.88278136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm126
_cell_volume   10397.1571439
_cell_formula_units_Z   126
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  0.819405  0.214643  0.328048  1
  Sm  Sm2  1  0.160960  0.881840  0.329902  1
  Sm  Sm3  1  0.204123  0.256201  0.313182  1
  Sm  Sm4  1  0.548341  0.268868  0.301549  1
  Sm  Sm5  1  0.902342  0.951054  0.290180  1
  Sm  Sm6  1  0.246327  0.615284  0.292085  1
  Sm  Sm7  1  0.470193  0.542499  0.341286  1
  Sm  Sm8  1  0.508700  0.909796  0.324786  1
  Sm  Sm9  1  0.857869  0.585608  0.311395  1
  Sm  Sm10  1  0.703881  0.428909  0.307826  1
  Sm  Sm11  1  0.070985  0.102456  0.298613  1
  Sm  Sm12  1  0.095845  0.466932  0.279505  1
  Sm  Sm13  1  0.328568  0.399745  0.328001  1
  Sm  Sm14  1  0.661931  0.056463  0.324988  1
  Sm  Sm15  1  1.006797  0.736114  0.317903  1
  Sm  Sm16  1  0.398245  0.756760  0.305002  1
  Sm  Sm17  1  0.405470  0.109577  0.286897  1
  Sm  Sm18  1  0.729168  0.794020  0.286834  1
  Sm  Sm19  1  0.691639  0.141092  0.392117  1
  Sm  Sm20  1  0.029705  0.805755  0.393827  1
  Sm  Sm21  1  0.069361  0.168388  0.373985  1
  Sm  Sm22  1  0.424891  0.182378  0.362643  1
  Sm  Sm23  1  0.778289  0.861168  0.354105  1
  Sm  Sm24  1  0.110379  0.527275  0.353701  1
  Sm  Sm25  1  0.338602  0.461961  0.403737  1
  Sm  Sm26  1  0.380982  0.821968  0.382944  1
  Sm  Sm27  1  0.738520  0.500599  0.375089  1
  Sm  Sm28  1  0.579892  0.340435  0.370190  1
  Sm  Sm29  1  0.933433  0.016900  0.360753  1
  Sm  Sm30  1  0.971626  0.373213  0.338604  1
  Sm  Sm31  1  0.199127  0.313478  0.390409  1
  Sm  Sm32  1  0.537014  0.981353  0.391925  1
  Sm  Sm33  1  0.888088  0.658781  0.382016  1
  Sm  Sm34  1  0.243252  0.673403  0.367952  1
  Sm  Sm35  1  0.282960  0.033191  0.349503  1
  Sm  Sm36  1  0.624490  0.695156  0.348402  1
  Sm  Sm37  1  0.561043  0.062162  0.455700  1
  Sm  Sm38  1  0.897499  0.727476  0.456229  1
  Sm  Sm39  1  0.940506  0.087369  0.435901  1
  Sm  Sm40  1  0.293421  0.101618  0.424378  1
  Sm  Sm41  1  0.646137  0.781639  0.414149  1
  Sm  Sm42  1  0.983665  0.446223  0.415016  1
  Sm  Sm43  1  0.208149  0.381786  0.465851  1
  Sm  Sm44  1  0.251399  0.741442  0.445025  1
  Sm  Sm45  1  0.604296  0.421102  0.435096  1
  Sm  Sm46  1  0.449105  0.258718  0.431834  1
  Sm  Sm47  1  0.803242  0.938200  0.422532  1
  Sm  Sm48  1  0.843598  0.296086  0.400555  1
  Sm  Sm49  1  0.067451  0.233460  0.451788  1
  Sm  Sm50  1  0.403659  0.899175  0.452217  1
  Sm  Sm51  1  0.756320  0.579333  0.442901  1
  Sm  Sm52  1  0.113710  0.592757  0.431093  1
  Sm  Sm53  1  0.153609  0.951951  0.410189  1
  Sm  Sm54  1  0.490770  0.618955  0.411048  1
  Sm  Sm55  1  0.428839  0.981896  0.517216  1
  Sm  Sm56  1  0.765178  0.647890  0.517889  1
  Sm  Sm57  1  0.810251  0.007080  0.497832  1
  Sm  Sm58  1  0.163944  0.021582  0.485968  1
  Sm  Sm59  1  0.516161  0.701599  0.476085  1
  Sm  Sm60  1  0.852254  0.367258  0.476605  1
  Sm  Sm61  1  0.076354  0.302300  0.527669  1
  Sm  Sm62  1  0.121326  0.661191  0.506969  1
  Sm  Sm63  1  0.474421  0.340847  0.496953  1
  Sm  Sm64  1  0.316420  0.179385  0.493439  1
  Sm  Sm65  1  0.669514  0.859041  0.483423  1
  Sm  Sm66  1  0.714487  0.217932  0.462723  1
  Sm  Sm67  1  0.938587  0.152974  0.513787  1
  Sm  Sm68  1  0.274680  0.818633  0.514307  1
  Sm  Sm69  1  0.626896  0.498650  0.504424  1
  Sm  Sm70  1  0.980590  0.513152  0.492560  1
  Sm  Sm71  1  0.025663  0.872342  0.472503  1
  Sm  Sm72  1  0.362001  0.538336  0.473176  1
  Sm  Sm73  1  0.300071  0.901278  0.579344  1
  Sm  Sm74  1  0.637232  0.568281  0.580203  1
  Sm  Sm75  1  0.677131  0.927475  0.559299  1
  Sm  Sm76  1  0.034521  0.940899  0.547491  1
  Sm  Sm77  1  0.387182  0.621057  0.538175  1
  Sm  Sm78  1  0.723390  0.286772  0.538604  1
  Sm  Sm79  1  0.947242  0.224146  0.589837  1
  Sm  Sm80  1  0.987599  0.582032  0.567860  1
  Sm  Sm81  1  0.341736  0.261515  0.558558  1
  Sm  Sm82  1  0.186544  0.099130  0.555296  1
  Sm  Sm83  1  0.539441  0.778790  0.545367  1
  Sm  Sm84  1  0.582692  0.138446  0.524541  1
  Sm  Sm85  1  0.807176  0.074009  0.575376  1
  Sm  Sm86  1  0.144704  0.738593  0.576243  1
  Sm  Sm87  1  0.497420  0.418615  0.566014  1
  Sm  Sm88  1  0.850334  0.432863  0.554491  1
  Sm  Sm89  1  0.893341  0.792756  0.534162  1
  Sm  Sm90  1  0.229798  0.458071  0.534692  1
  Sm  Sm91  1  0.166351  0.825076  0.641990  1
  Sm  Sm92  1  0.507881  0.487042  0.640889  1
  Sm  Sm93  1  0.547589  0.846829  0.622440  1
  Sm  Sm94  1  0.902752  0.861452  0.608376  1
  Sm  Sm95  1  0.253827  0.538879  0.598467  1
  Sm  Sm96  1  0.591713  0.206754  0.599983  1
  Sm  Sm97  1  0.819214  0.147020  0.651788  1
  Sm  Sm98  1  0.857407  0.503332  0.629639  1
  Sm  Sm99  1  0.210949  0.179797  0.620202  1
  Sm  Sm100  1  0.052320  0.019633  0.615303  1
  Sm  Sm101  1  0.409858  0.698264  0.607448  1
  Sm  Sm102  1  0.452239  0.058271  0.586655  1
  Sm  Sm103  1  0.680461  0.992958  0.636691  1
  Sm  Sm104  1  0.012552  0.659064  0.636287  1
  Sm  Sm105  1  0.365950  0.337854  0.627749  1
  Sm  Sm106  1  0.721480  0.351844  0.616407  1
  Sm  Sm107  1  0.761135  0.714477  0.596565  1
  Sm  Sm108  1  0.099201  0.379140  0.598274  1
  Sm  Sm109  1  0.061672  0.726212  0.703558  1
  Sm  Sm110  1  0.385371  0.410655  0.703495  1
  Sm  Sm111  1  0.392596  0.763472  0.685390  1
  Sm  Sm112  1  0.784043  0.784118  0.672489  1
  Sm  Sm113  1  0.128909  0.463769  0.665404  1
  Sm  Sm114  1  0.462273  0.120487  0.662391  1
  Sm  Sm115  1  0.694996  0.053300  0.710887  1
  Sm  Sm116  1  0.719856  0.417776  0.691779  1
  Sm  Sm117  1  0.086960  0.091323  0.682566  1
  Sm  Sm118  1  0.932972  0.934624  0.678997  1
  Sm  Sm119  1  0.282141  0.610436  0.665606  1
  Sm  Sm120  1  0.320647  0.977734  0.649106  1
  Sm  Sm121  1  0.544514  0.904949  0.698307  1
  Sm  Sm122  1  0.888499  0.569178  0.700212  1
  Sm  Sm123  1  0.242500  0.251364  0.688843  1
  Sm  Sm124  1  0.586718  0.264032  0.677210  1
  Sm  Sm125  1  0.629881  0.638393  0.660490  1
  Sm  Sm126  1  0.971435  0.305589  0.662343  1
