# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.60348675
_cell_length_b   12.88207933
_cell_length_c   51.09236915
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.35380525
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm84 Al28'
_cell_volume   6783.19823853
_cell_formula_units_Z   28
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  0.496175  0.114334  0.266899  1
  Sm  Sm2  1  0.110557  0.593432  0.257317  1
  Sm  Sm3  1  0.178860  0.092261  0.255866  1
  Sm  Sm4  1  0.405571  0.602832  0.309970  1
  Sm  Sm5  1  0.939113  0.036514  0.301554  1
  Sm  Sm6  1  0.625734  0.609127  0.242140  1
  Sm  Sm7  1  0.943120  0.763242  0.281478  1
  Sm  Sm8  1  0.776073  0.413684  0.249994  1
  Sm  Sm9  1  0.837103  0.915791  0.232259  1
  Sm  Sm10  1  0.929536  0.228419  0.246237  1
  Sm  Sm11  1  0.446550  0.787456  0.249636  1
  Sm  Sm12  1  0.288723  0.434335  0.247662  1
  Sm  Sm13  1  0.742640  0.878755  0.348295  1
  Sm  Sm14  1  0.639481  0.483643  0.304269  1
  Sm  Sm15  1  0.498344  0.919729  0.318007  1
  Sm  Sm16  1  0.860301  0.408589  0.365459  1
  Sm  Sm17  1  0.287020  0.953143  0.380824  1
  Sm  Sm18  1  0.072541  0.370253  0.305515  1
  Sm  Sm19  1  0.402153  0.720903  0.383993  1
  Sm  Sm20  1  0.291370  0.268426  0.313392  1
  Sm  Sm21  1  0.183674  0.698686  0.327308  1
  Sm  Sm22  1  0.494537  0.195423  0.341872  1
  Sm  Sm23  1  0.930562  0.740893  0.351286  1
  Sm  Sm24  1  0.752802  0.220454  0.307884  1
  Sm  Sm25  1  0.152754  0.744044  0.449714  1
  Sm  Sm26  1  0.189817  0.415762  0.370216  1
  Sm  Sm27  1  1.016119  0.899631  0.418466  1
  Sm  Sm28  1  0.212592  0.204319  0.435387  1
  Sm  Sm29  1  0.700938  0.821099  0.412268  1
  Sm  Sm30  1  0.553499  0.258808  0.415635  1
  Sm  Sm31  1  0.835907  0.578891  0.416650  1
  Sm  Sm32  1  0.639024  0.068349  0.381939  1
  Sm  Sm33  1  0.582548  0.529112  0.364252  1
  Sm  Sm34  1  0.922191  0.156704  0.411865  1
  Sm  Sm35  1  0.468132  0.501513  0.423810  1
  Sm  Sm36  1  0.090381  0.076087  0.363110  1
  Sm  Sm37  1  0.776530  0.711993  0.474940  1
  Sm  Sm38  1  0.477579  0.226089  0.481256  1
  Sm  Sm39  1  0.473436  0.742648  0.465652  1
  Sm  Sm40  1  0.730211  0.195767  0.532786  1
  Sm  Sm41  1  0.201203  0.584010  0.507444  1
  Sm  Sm42  1  0.993074  0.237247  0.484836  1
  Sm  Sm43  1  0.388497  0.445517  0.485581  1
  Sm  Sm44  1  0.089546  0.959612  0.491897  1
  Sm  Sm45  1  0.135865  0.475839  0.434051  1
  Sm  Sm46  1  0.392640  0.928957  0.501185  1
  Sm  Sm47  1  0.873002  0.434358  0.482001  1
  Sm  Sm48  1  0.664873  0.087596  0.459393  1
  Sm  Sm49  1  0.227052  0.603256  0.584897  1
  Sm  Sm50  1  0.030169  0.092714  0.550187  1
  Sm  Sm51  1  0.943885  0.514902  0.554972  1
  Sm  Sm52  1  0.283528  0.142494  0.602585  1
  Sm  Sm53  1  0.775695  0.595518  0.603727  1
  Sm  Sm54  1  0.397944  0.170093  0.543027  1
  Sm  Sm55  1  0.676259  0.255843  0.596621  1
  Sm  Sm56  1  0.713322  0.927561  0.517123  1
  Sm  Sm57  1  0.653484  0.467287  0.531450  1
  Sm  Sm58  1  0.849957  0.771975  0.548371  1
  Sm  Sm59  1  0.312577  0.412798  0.551201  1
  Sm  Sm60  1  0.165138  0.850506  0.554569  1
  Sm  Sm61  1  0.574706  0.403179  0.653445  1
  Sm  Sm62  1  0.463923  0.950703  0.582844  1
  Sm  Sm63  1  0.371539  0.476183  0.624964  1
  Sm  Sm64  1  0.682402  0.972920  0.639529  1
  Sm  Sm65  1  0.113274  0.451152  0.658953  1
  Sm  Sm66  1  0.935514  0.930713  0.615550  1
  Sm  Sm67  1  0.226595  0.187962  0.662568  1
  Sm  Sm68  1  0.123436  0.792850  0.618542  1
  Sm  Sm69  1  1.005776  0.263017  0.601378  1
  Sm  Sm70  1  0.367732  0.751877  0.648830  1
  Sm  Sm71  1  0.793535  0.301352  0.661322  1
  Sm  Sm72  1  0.579056  0.718462  0.586013  1
  Sm  Sm73  1  0.090003  0.257921  0.716842  1
  Sm  Sm74  1  0.922956  0.908363  0.685358  1
  Sm  Sm75  1  0.936540  0.443187  0.720600  1
  Sm  Sm76  1  0.028973  0.755815  0.734578  1
  Sm  Sm77  1  0.577353  0.237271  0.719175  1
  Sm  Sm78  1  0.419526  0.884150  0.717201  1
  Sm  Sm79  1  0.755519  0.078174  0.709520  1
  Sm  Sm80  1  0.369901  0.557271  0.699938  1
  Sm  Sm81  1  0.460505  0.068773  0.656867  1
  Sm  Sm82  1  0.687216  0.579345  0.710971  1
  Sm  Sm83  1  0.240342  0.062478  0.724697  1
  Sm  Sm84  1  0.926963  0.635092  0.665283  1
  Al  Al85  1  0.250446  0.868162  0.275818  1
  Al  Al86  1  0.466041  0.332353  0.260307  1
  Al  Al87  1  0.692516  0.005366  0.270976  1
  Al  Al88  1  0.916119  0.516775  0.307062  1
  Al  Al89  1  0.677603  0.791795  0.288847  1
  Al  Al90  1  0.914260  0.186620  0.351402  1
  Al  Al91  1  0.211303  0.977158  0.317211  1
  Al  Al92  1  0.351271  0.283185  0.380022  1
  Al  Al93  1  0.106540  0.656328  0.388723  1
  Al  Al94  1  0.308958  0.018200  0.444780  1
  Al  Al95  1  0.445505  0.908936  0.425972  1
  Al  Al96  1  0.833612  0.331933  0.426616  1
  Al  Al97  1  0.647091  0.460296  0.462458  1
  Al  Al98  1  0.862045  0.979613  0.460054  1
  Al  Al99  1  1.004031  0.691992  0.506783  1
  Al  Al100  1  0.218985  0.211310  0.504379  1
  Al  Al101  1  0.032464  0.339672  0.540221  1
  Al  Al102  1  0.420571  0.762670  0.540865  1
  Al  Al103  1  0.557118  0.653405  0.522057  1
  Al  Al104  1  0.759536  0.015277  0.578114  1
  Al  Al105  1  0.514805  0.388420  0.586814  1
  Al  Al106  1  0.654773  0.694448  0.649626  1
  Al  Al107  1  0.951816  0.484986  0.615435  1
  Al  Al108  1  0.188473  0.879811  0.677989  1
  Al  Al109  1  0.949957  0.154830  0.659774  1
  Al  Al110  1  0.173560  0.666239  0.695861  1
  Al  Al111  1  0.400035  0.339252  0.706530  1
  Al  Al112  1  0.615630  0.803444  0.691019  1
