# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92981152
_cell_length_b   20.60431009
_cell_length_c   58.41199415
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm72 Al72'
_cell_volume   7136.75848482
_cell_formula_units_Z   72
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  0.696945  0.926787  0.262174  1
  Sm  Sm2  1  0.655009  0.692271  0.318075  1
  Sm  Sm3  1  0.658917  0.465159  0.373042  1
  Sm  Sm4  1  0.906345  0.023231  0.314386  1
  Sm  Sm5  1  0.881561  0.791845  0.370558  1
  Sm  Sm6  1  0.907693  0.267526  0.257005  1
  Sm  Sm7  1  0.350703  0.079188  0.345439  1
  Sm  Sm8  1  0.331897  0.849333  0.400538  1
  Sm  Sm9  1  0.343060  0.304936  0.293613  1
  Sm  Sm10  1  0.126222  0.177498  0.399100  1
  Sm  Sm11  1  0.099746  0.640175  0.283999  1
  Sm  Sm12  1  0.108486  0.408085  0.343539  1
  Sm  Sm13  1  0.944091  0.091677  0.257924  1
  Sm  Sm14  1  0.883229  0.855075  0.316228  1
  Sm  Sm15  1  0.872114  0.625319  0.371228  1
  Sm  Sm16  1  0.699403  0.186614  0.313490  1
  Sm  Sm17  1  0.676358  0.954709  0.368737  1
  Sm  Sm18  1  0.555338  0.420917  0.254995  1
  Sm  Sm19  1  0.132214  0.239748  0.345101  1
  Sm  Sm20  1  0.125646  0.011163  0.398821  1
  Sm  Sm21  1  0.067396  0.465964  0.285851  1
  Sm  Sm22  1  0.337171  0.340410  0.397193  1
  Sm  Sm23  1  0.320802  0.806947  0.284157  1
  Sm  Sm24  1  0.312301  0.570617  0.340514  1
  Sm  Sm25  1  0.676141  0.234260  0.429000  1
  Sm  Sm26  1  0.671911  1.004431  0.484446  1
  Sm  Sm27  1  0.663543  0.775695  0.539832  1
  Sm  Sm28  1  0.887908  0.334341  0.481936  1
  Sm  Sm29  1  0.889548  0.104762  0.537724  1
  Sm  Sm30  1  0.878697  0.564508  0.426431  1
  Sm  Sm31  1  0.335777  0.389714  0.512156  1
  Sm  Sm32  1  0.341683  0.160715  0.567845  1
  Sm  Sm33  1  0.328277  0.619745  0.456572  1
  Sm  Sm34  1  0.119488  0.489141  0.565270  1
  Sm  Sm35  1  0.119335  0.948900  0.454017  1
  Sm  Sm36  1  0.113310  0.719868  0.509708  1
  Sm  Sm37  1  0.884014  0.397572  0.426708  1
  Sm  Sm38  1  0.890193  0.166845  0.482270  1
  Sm  Sm39  1  0.884167  0.937813  0.537962  1
  Sm  Sm40  1  0.667726  0.496999  0.479823  1
  Sm  Sm41  1  0.675226  0.266968  0.535407  1
  Sm  Sm42  1  0.661819  0.725998  0.424134  1
  Sm  Sm43  1  0.115595  0.552372  0.510042  1
  Sm  Sm44  1  0.124805  0.322205  0.565547  1
  Sm  Sm45  1  0.113955  0.781950  0.454255  1
  Sm  Sm46  1  0.327362  0.652453  0.562978  1
  Sm  Sm47  1  0.339960  0.111018  0.452146  1
  Sm  Sm48  1  0.331592  0.882282  0.507532  1
  Sm  Sm49  1  0.666332  0.546303  0.594785  1
  Sm  Sm50  1  0.691202  0.316096  0.651465  1
  Sm  Sm51  1  0.682701  0.079766  0.707821  1
  Sm  Sm52  1  0.871288  0.646965  0.646878  1
  Sm  Sm53  1  0.936106  0.420749  0.706128  1
  Sm  Sm54  1  0.877856  0.875550  0.593158  1
  Sm  Sm55  1  0.304099  0.700099  0.678488  1
  Sm  Sm56  1  0.448164  0.465796  0.736984  1
  Sm  Sm57  1  0.327144  0.932004  0.623241  1
  Sm  Sm58  1  0.059412  0.795036  0.734054  1
  Sm  Sm59  1  0.131389  0.261394  0.620751  1
  Sm  Sm60  1  0.120274  0.031637  0.675750  1
  Sm  Sm61  1  0.877280  0.709215  0.592879  1
  Sm  Sm62  1  0.895017  0.478628  0.648439  1
  Sm  Sm63  1  0.903757  0.246538  0.707979  1
  Sm  Sm64  1  0.652800  0.807525  0.646540  1
  Sm  Sm65  1  0.660443  0.581777  0.698366  1
  Sm  Sm66  1  0.671606  0.037380  0.591440  1
  Sm  Sm67  1  0.097157  0.863482  0.677593  1
  Sm  Sm68  1  0.095809  0.619187  0.734973  1
  Sm  Sm69  1  0.121942  0.094868  0.621421  1
  Sm  Sm70  1  0.306558  0.959926  0.729805  1
  Sm  Sm71  1  0.344585  0.421554  0.618936  1
  Sm  Sm72  1  0.348493  0.194442  0.673903  1
  Al  Al73  1  0.449808  0.057692  0.288008  1
  Al  Al74  1  0.407572  0.823783  0.342377  1
  Al  Al75  1  0.403441  0.595086  0.398605  1
  Al  Al76  1  0.603260  0.208851  0.371393  1
  Al  Al77  1  0.578675  0.668141  0.264300  1
  Al  Al78  1  0.566885  0.438896  0.315049  1
  Al  Al79  1  0.182948  0.954426  0.275745  1
  Al  Al80  1  0.144504  0.718670  0.330199  1
  Al  Al81  1  0.146572  0.489518  0.387712  1
  Al  Al82  1  0.861828  0.102986  0.359565  1
  Al  Al83  1  0.814510  0.555635  0.250361  1
  Al  Al84  1  0.845626  0.335626  0.303964  1
  Al  Al85  1  0.447807  0.176234  0.262664  1
  Al  Al86  1  0.426593  0.941163  0.315286  1
  Al  Al87  1  0.399819  0.709570  0.370414  1
  Al  Al88  1  0.595008  0.325301  0.343896  1
  Al  Al89  1  0.600962  0.094301  0.398775  1
  Al  Al90  1  0.553826  0.552986  0.289095  1
  Al  Al91  1  0.178927  0.159487  0.299649  1
  Al  Al92  1  0.162290  0.930650  0.354066  1
  Al  Al93  1  0.148030  0.700360  0.409828  1
  Al  Al94  1  0.851138  0.315540  0.382684  1
  Al  Al95  1  0.828036  0.774494  0.271835  1
  Al  Al96  1  0.830674  0.544093  0.326005  1
  Al  Al97  1  0.414697  0.365814  0.454537  1
  Al  Al98  1  0.417895  0.135635  0.509949  1
  Al  Al99  1  0.409366  0.906829  0.565445  1
  Al  Al100  1  0.588806  0.520899  0.537441  1
  Al  Al101  1  0.594136  0.979883  0.426534  1
  Al  Al102  1  0.585608  0.751078  0.482029  1
  Al  Al103  1  0.160674  0.260330  0.443186  1
  Al  Al104  1  0.158017  0.030900  0.498479  1
  Al  Al105  1  0.149907  0.802090  0.553938  1
  Al  Al106  1  0.849365  0.416070  0.526181  1
  Al  Al107  1  0.847183  0.874243  0.415014  1
  Al  Al108  1  0.842859  0.646101  0.470737  1
  Al  Al109  1  0.407931  0.480576  0.426573  1
  Al  Al110  1  0.416751  0.250501  0.482201  1
  Al  Al111  1  0.413196  0.021408  0.537793  1
  Al  Al112  1  0.586752  0.636212  0.509777  1
  Al  Al113  1  0.595571  0.406137  0.565406  1
  Al  Al114  1  0.590307  0.865305  0.454185  1
  Al  Al115  1  0.154138  0.470643  0.465797  1
  Al  Al116  1  0.160644  0.240611  0.521242  1
  Al  Al117  1  0.156319  0.012469  0.576965  1
  Al  Al118  1  0.842828  0.626383  0.548792  1
  Al  Al119  1  0.853596  0.084623  0.438040  1
  Al  Al120  1  0.845486  0.855813  0.493500  1
  Al  Al121  1  0.400243  0.677862  0.620585  1
  Al  Al122  1  0.436618  0.447817  0.676930  1
  Al  Al123  1  0.424828  0.218572  0.727678  1
  Al  Al124  1  0.553695  0.829020  0.703970  1
  Al  Al125  1  0.600061  0.291627  0.593374  1
  Al  Al126  1  0.595930  0.062929  0.649601  1
  Al  Al127  1  0.152365  0.571173  0.609295  1
  Al  Al128  1  0.172829  0.342620  0.665974  1
  Al  Al129  1  0.175467  0.112219  0.720144  1
  Al  Al130  1  0.824576  0.727225  0.692330  1
  Al  Al131  1  0.855473  0.186353  0.582150  1
  Al  Al132  1  0.841213  0.956063  0.637912  1
  Al  Al133  1  0.402541  0.792412  0.593203  1
  Al  Al134  1  0.408494  0.561411  0.648083  1
  Al  Al135  1  0.449677  0.333727  0.702884  1
  Al  Al136  1  0.576910  0.945550  0.676692  1
  Al  Al137  1  0.555695  0.710478  0.729315  1
  Al  Al138  1  0.603683  0.177142  0.621565  1
  Al  Al139  1  0.141675  0.783727  0.632413  1
  Al  Al140  1  0.157877  0.551087  0.688015  1
  Al  Al141  1  0.188993  0.331078  0.741618  1
  Al  Al142  1  0.820555  0.932287  0.716234  1
  Al  Al143  1  0.856931  0.397195  0.604267  1
  Al  Al144  1  0.858998  0.168042  0.661779  1
