# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.67514241
_cell_length_b   17.67194212
_cell_length_c   48.61934891
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.48191274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm108 Al36'
_cell_volume   9456.94106352
_cell_formula_units_Z   36
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  0.504175  0.031986  0.274233  1
  Sm  Sm2  1  0.949136  0.466561  0.267680  1
  Sm  Sm3  1  0.297164  0.760427  0.290970  1
  Sm  Sm4  1  0.194101  0.083335  0.250849  1
  Sm  Sm5  1  0.356386  0.330684  0.264171  1
  Sm  Sm6  1  0.469696  0.681915  0.338276  1
  Sm  Sm7  1  0.985820  0.064815  0.309513  1
  Sm  Sm8  1  0.638381  0.483068  0.271192  1
  Sm  Sm9  1  0.662886  0.721452  0.270977  1
  Sm  Sm10  1  0.999986  0.871694  0.296538  1
  Sm  Sm11  1  0.216469  0.220085  0.325659  1
  Sm  Sm12  1  0.930217  0.658844  0.294951  1
  Sm  Sm13  1  0.835461  0.975818  0.247758  1
  Sm  Sm14  1  1.001503  0.218207  0.255335  1
  Sm  Sm15  1  0.141478  0.555736  0.332865  1
  Sm  Sm16  1  0.650796  0.892630  0.302921  1
  Sm  Sm17  1  0.713367  0.262922  0.287207  1
  Sm  Sm18  1  0.346444  0.557439  0.271470  1
  Sm  Sm19  1  0.954366  0.096042  0.381740  1
  Sm  Sm20  1  0.534131  0.336041  0.331449  1
  Sm  Sm21  1  0.798694  0.750172  0.352959  1
  Sm  Sm22  1  0.689695  0.063480  0.345765  1
  Sm  Sm23  1  0.828924  0.361306  0.353804  1
  Sm  Sm24  1  0.091119  0.814173  0.406318  1
  Sm  Sm25  1  0.422605  1.006372  0.406874  1
  Sm  Sm26  1  0.085560  0.362822  0.303644  1
  Sm  Sm27  1  0.294182  0.726870  0.388797  1
  Sm  Sm28  1  0.594058  0.875400  0.376336  1
  Sm  Sm29  1  0.780104  0.213773  0.403861  1
  Sm  Sm30  1  0.373832  0.459312  0.331837  1
  Sm  Sm31  1  0.362323  0.910940  0.337293  1
  Sm  Sm32  1  0.476953  0.141634  0.347561  1
  Sm  Sm33  1  0.634123  0.511885  0.371587  1
  Sm  Sm34  1  0.128396  0.974147  0.362952  1
  Sm  Sm35  1  0.262890  0.178716  0.392101  1
  Sm  Sm36  1  0.942507  0.610477  0.372525  1
  Sm  Sm37  1  0.320262  0.960398  0.481849  1
  Sm  Sm38  1  0.100904  0.339096  0.381895  1
  Sm  Sm39  1  0.077684  0.627214  0.447693  1
  Sm  Sm40  1  0.120349  0.015516  0.435768  1
  Sm  Sm41  1  0.299612  0.299481  0.449385  1
  Sm  Sm42  1  0.423423  0.657835  0.460981  1
  Sm  Sm43  1  0.838302  0.977643  0.472902  1
  Sm  Sm44  1  0.555745  0.279924  0.407660  1
  Sm  Sm45  1  0.757788  0.643352  0.425941  1
  Sm  Sm46  1  1.000292  0.825862  0.479108  1
  Sm  Sm47  1  0.149742  0.112234  0.497278  1
  Sm  Sm48  1  0.829065  0.446204  0.425705  1
  Sm  Sm49  1  0.840062  0.873314  0.413162  1
  Sm  Sm50  1  0.996454  0.183244  0.445601  1
  Sm  Sm51  1  0.123206  0.432037  0.452009  1
  Sm  Sm52  1  0.543341  0.871879  0.450481  1
  Sm  Sm53  1  0.645670  0.119312  0.463854  1
  Sm  Sm54  1  0.362980  0.535019  0.405388  1
  Sm  Sm55  1  0.909888  0.983861  0.546986  1
  Sm  Sm56  1  0.589211  0.317832  0.475413  1
  Sm  Sm57  1  0.738660  0.604204  0.493583  1
  Sm  Sm58  1  0.615747  0.998028  0.520681  1
  Sm  Sm59  1  0.742499  0.246821  0.527089  1
  Sm  Sm60  1  0.898891  0.556751  0.559528  1
  Sm  Sm61  1  0.375973  0.895046  0.567303  1
  Sm  Sm62  1  0.093283  0.310753  0.508836  1
  Sm  Sm63  1  0.195612  0.558186  0.522210  1
  Sm  Sm64  1  0.661269  0.802851  0.524997  1
  Sm  Sm65  1  0.638049  0.090969  0.590795  1
  Sm  Sm66  1  0.418691  0.469667  0.490842  1
  Sm  Sm67  1  0.315530  0.772230  0.511710  1
  Sm  Sm68  1  0.439341  0.130584  0.523305  1
  Sm  Sm69  1  0.618604  0.414549  0.536922  1
  Sm  Sm70  1  0.981165  0.786713  0.546750  1
  Sm  Sm71  1  0.183208  0.150141  0.565031  1
  Sm  Sm72  1  0.900651  0.452423  0.499789  1
  Sm  Sm73  1  0.365121  0.970753  0.640853  1
  Sm  Sm74  1  0.958849  0.216292  0.568830  1
  Sm  Sm75  1  0.144895  0.554665  0.596355  1
  Sm  Sm76  1  0.104830  0.918181  0.601104  1
  Sm  Sm77  1  0.262000  0.288432  0.625130  1
  Sm  Sm78  1  0.376630  0.519125  0.635397  1
  Sm  Sm79  1  0.796446  0.819588  0.600166  1
  Sm  Sm80  1  0.476063  0.251349  0.580590  1
  Sm  Sm81  1  0.610557  0.455918  0.609738  1
  Sm  Sm82  1  0.940259  0.679894  0.619731  1
  Sm  Sm83  1  0.204822  0.094025  0.641242  1
  Sm  Sm84  1  0.784587  0.334024  0.590951  1
  Sm  Sm85  1  0.647834  0.615892  0.566373  1
  Sm  Sm86  1  0.910029  0.068759  0.618887  1
  Sm  Sm87  1  0.049258  0.366585  0.626926  1
  Sm  Sm88  1  0.444771  0.703196  0.583894  1
  Sm  Sm89  1  0.653392  0.067244  0.669047  1
  Sm  Sm90  1  0.316348  0.423693  0.565817  1
  Sm  Sm91  1  0.808736  0.771221  0.677739  1
  Sm  Sm92  1  0.522484  0.209981  0.647031  1
  Sm  Sm93  1  0.738966  0.558371  0.676152  1
  Sm  Sm94  1  0.597475  0.874329  0.639825  1
  Sm  Sm95  1  0.737450  0.211858  0.717355  1
  Sm  Sm96  1  0.903492  0.454248  0.724932  1
  Sm  Sm97  1  0.392509  0.872627  0.701221  1
  Sm  Sm98  1  0.025586  0.167143  0.685483  1
  Sm  Sm99  1  0.088157  0.537436  0.669769  1
  Sm  Sm100  1  0.441789  0.669638  0.681720  1
  Sm  Sm101  1  0.789817  0.963504  0.705011  1
  Sm  Sm102  1  0.234778  0.398079  0.698458  1
  Sm  Sm103  1  0.269257  0.748150  0.634415  1
  Sm  Sm104  1  0.382567  0.099381  0.708520  1
  Sm  Sm105  1  0.544852  0.346730  0.721841  1
  Sm  Sm106  1  0.076067  0.708613  0.701714  1
  Sm  Sm107  1  0.100572  0.946997  0.701499  1
  Sm  Sm108  1  0.753133  0.365250  0.663177  1
  Al  Al109  1  0.248265  0.919098  0.271629  1
  Al  Al110  1  0.420745  0.185230  0.287970  1
  Al  Al111  1  0.645271  0.598005  0.317398  1
  Al  Al112  1  0.773720  0.103263  0.286123  1
  Al  Al113  1  0.803562  0.496637  0.321832  1
  Al  Al114  1  0.102098  0.772254  0.342309  1
  Al  Al115  1  0.850589  0.932641  0.349521  1
  Al  Al116  1  0.914372  0.213505  0.332043  1
  Al  Al117  1  0.086077  0.510136  0.395642  1
  Al  Al118  1  0.256758  0.041205  0.308892  1
  Al  Al119  1  0.384227  0.368825  0.386652  1
  Al  Al120  1  0.570544  0.716687  0.404373  1
  Al  Al121  1  0.267062  0.796877  0.449886  1
  Al  Al122  1  0.384944  0.142932  0.453986  1
  Al  Al123  1  0.556364  0.456564  0.433982  1
  Al  Al124  1  0.719322  0.023621  0.415387  1
  Al  Al125  1  0.853941  0.294604  0.465441  1
  Al  Al126  1  0.028113  0.661335  0.508235  1
  Al  Al127  1  0.710840  0.768730  0.464455  1
  Al  Al128  1  0.885012  0.135461  0.507250  1
  Al  Al129  1  0.019631  0.406444  0.557304  1
  Al  Al130  1  0.182589  0.973502  0.538709  1
  Al  Al131  1  0.354009  0.287133  0.518704  1
  Al  Al132  1  0.471891  0.633188  0.522804  1
  Al  Al133  1  0.168409  0.713378  0.568318  1
  Al  Al134  1  0.354726  0.061240  0.586039  1
  Al  Al135  1  0.482195  0.388860  0.663798  1
  Al  Al136  1  0.652876  0.919929  0.577048  1
  Al  Al137  1  0.824581  0.216561  0.640648  1
  Al  Al138  1  0.888364  0.497424  0.623170  1
  Al  Al139  1  0.636855  0.657811  0.630382  1
  Al  Al140  1  0.935391  0.933429  0.650859  1
  Al  Al141  1  0.965233  0.326802  0.686567  1
  Al  Al142  1  0.093681  0.832061  0.655293  1
  Al  Al143  1  0.318208  0.244835  0.684721  1
  Al  Al144  1  0.490688  0.510967  0.701061  1
