# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.74821798
_cell_length_b   7.86882316
_cell_length_c   48.75369555
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.79376679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm36 Al108'
_cell_volume   6349.66137339
_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  0.207320  0.868528  0.282563  1
  Sm  Sm2  1  0.552565  0.643672  0.306464  1
  Sm  Sm3  1  0.890862  0.439969  0.337116  1
  Sm  Sm4  1  0.314496  0.399269  0.278429  1
  Sm  Sm5  1  0.662339  0.193609  0.303413  1
  Sm  Sm6  1  1.004427  0.972835  0.329955  1
  Sm  Sm7  1  0.232747  0.216906  0.357667  1
  Sm  Sm8  1  0.575359  1.000865  0.383526  1
  Sm  Sm9  1  0.916824  0.783302  0.409179  1
  Sm  Sm10  1  0.344116  0.751867  0.353351  1
  Sm  Sm11  1  0.686979  0.537096  0.378191  1
  Sm  Sm12  1  0.027551  0.323020  0.405334  1
  Sm  Sm13  1  0.259757  0.572024  0.435568  1
  Sm  Sm14  1  0.600086  0.356961  0.461195  1
  Sm  Sm15  1  0.942312  0.141552  0.487321  1
  Sm  Sm16  1  0.370232  0.109664  0.430991  1
  Sm  Sm17  1  0.711169  0.893654  0.457119  1
  Sm  Sm18  1  0.053552  0.678659  0.482623  1
  Sm  Sm19  1  0.283938  0.924617  0.511933  1
  Sm  Sm20  1  0.626321  0.709622  0.537437  1
  Sm  Sm21  1  0.967258  0.493611  0.563565  1
  Sm  Sm22  1  0.395178  0.461723  0.507235  1
  Sm  Sm23  1  0.737405  0.246314  0.533361  1
  Sm  Sm24  1  0.077733  0.031252  0.558988  1
  Sm  Sm25  1  0.309939  0.280256  0.589222  1
  Sm  Sm26  1  0.650511  0.066180  0.616365  1
  Sm  Sm27  1  0.993374  0.851408  0.641205  1
  Sm  Sm28  1  0.420667  0.819973  0.585377  1
  Sm  Sm29  1  0.762131  0.602411  0.611030  1
  Sm  Sm30  1  0.104744  0.386370  0.636889  1
  Sm  Sm31  1  0.333064  0.630441  0.664601  1
  Sm  Sm32  1  0.675151  0.409667  0.691143  1
  Sm  Sm33  1  0.022994  0.204007  0.716127  1
  Sm  Sm34  1  0.446628  0.163306  0.657440  1
  Sm  Sm35  1  0.784926  0.959603  0.688092  1
  Sm  Sm36  1  0.130170  0.734748  0.711993  1
  Al  Al37  1  0.129015  0.480869  0.268814  1
  Al  Al38  1  0.481580  0.262826  0.291273  1
  Al  Al39  1  0.834098  0.069857  0.314039  1
  Al  Al40  1  0.398712  0.415721  0.334336  1
  Al  Al41  1  0.723634  0.853193  0.282923  1
  Al  Al42  1  0.045070  0.632293  0.306881  1
  Al  Al43  1  0.205259  0.538751  0.320461  1
  Al  Al44  1  0.524369  0.963295  0.270300  1
  Al  Al45  1  0.880039  0.741616  0.293186  1
  Al  Al46  1  0.385047  0.779448  0.291100  1
  Al  Al47  1  0.733863  0.570851  0.315105  1
  Al  Al48  1  0.066347  0.352057  0.342693  1
  Al  Al49  1  0.145718  0.203216  0.300379  1
  Al  Al50  1  0.497004  0.979709  0.326575  1
  Al  Al51  1  0.830271  0.380700  0.278870  1
  Al  Al52  1  0.345105  0.079179  0.314977  1
  Al  Al53  1  0.684897  0.869940  0.339526  1
  Al  Al54  1  0.984667  0.282726  0.290052  1
  Al  Al55  1  0.168058  0.839361  0.343746  1
  Al  Al56  1  0.510191  0.626464  0.368307  1
  Al  Al57  1  0.848076  0.401644  0.397399  1
  Al  Al58  1  0.423744  0.772707  0.410763  1
  Al  Al59  1  0.741115  0.195094  0.360385  1
  Al  Al60  1  0.083837  0.986061  0.386759  1
  Al  Al61  1  0.238169  0.890942  0.397166  1
  Al  Al62  1  0.549129  0.317711  0.345953  1
  Al  Al63  1  0.892838  0.104650  0.372002  1
  Al  Al64  1  0.408662  0.126186  0.369029  1
  Al  Al65  1  0.749891  0.909378  0.395124  1
  Al  Al66  1  0.094033  0.697602  0.420857  1
  Al  Al67  1  0.181594  0.551480  0.378410  1
  Al  Al68  1  0.522487  0.338634  0.403401  1
  Al  Al69  1  0.835964  0.783900  0.350763  1
  Al  Al70  1  0.366753  0.433924  0.391753  1
  Al  Al71  1  0.705989  0.215866  0.418143  1
  Al  Al72  1  0.030861  0.653193  0.366895  1
  Al  Al73  1  0.193989  0.197775  0.420038  1
  Al  Al74  1  0.536025  0.981625  0.445462  1
  Al  Al75  1  0.877619  0.767620  0.471226  1
  Al  Al76  1  0.449089  0.123663  0.488390  1
  Al  Al77  1  0.762878  0.558647  0.436659  1
  Al  Al78  1  0.106355  0.341921  0.462552  1
  Al  Al79  1  0.260494  0.244524  0.474024  1
  Al  Al80  1  0.580405  0.675993  0.422139  1
  Al  Al81  1  0.920224  0.460586  0.449000  1
  Al  Al82  1  0.436484  0.486883  0.445160  1
  Al  Al83  1  0.777050  0.270501  0.471272  1
  Al  Al84  1  0.118796  0.054734  0.497092  1
  Al  Al85  1  0.204610  0.909585  0.454547  1
  Al  Al86  1  0.546527  0.694930  0.480156  1
  Al  Al87  1  0.863722  0.116807  0.430156  1
  Al  Al88  1  0.393422  0.790069  0.468808  1
  Al  Al89  1  0.735291  0.573512  0.494520  1
  Al  Al90  1  0.049036  0.003737  0.443609  1
  Al  Al91  1  0.218694  0.548541  0.497464  1
  Al  Al92  1  0.560440  0.332775  0.523284  1
  Al  Al93  1  0.901006  0.116392  0.549396  1
  Al  Al94  1  0.473768  0.486469  0.564400  1
  Al  Al95  1  0.790963  0.908346  0.514400  1
  Al  Al96  1  0.132881  0.693691  0.540009  1
  Al  Al97  1  0.288454  0.599539  0.550947  1
  Al  Al98  1  0.602199  0.029763  0.500036  1
  Al  Al99  1  0.944068  0.813206  0.525748  1
  Al  Al100  1  0.459871  0.835656  0.523330  1
  Al  Al101  1  0.801466  0.621651  0.549094  1
  Al  Al102  1  0.143501  0.405501  0.574518  1
  Al  Al103  1  0.231135  0.261355  0.532004  1
  Al  Al104  1  0.574612  0.044629  0.557897  1
  Al  Al105  1  0.888402  0.479612  0.506166  1
  Al  Al106  1  0.417266  0.142689  0.545556  1
  Al  Al107  1  0.757085  0.927283  0.572417  1
  Al  Al108  1  0.076996  0.358752  0.520531  1
  Al  Al109  1  0.243457  0.905674  0.573699  1
  Al  Al110  1  0.587599  0.693898  0.599432  1
  Al  Al111  1  0.928828  0.477090  0.625527  1
  Al  Al112  1  0.501526  0.819376  0.643793  1
  Al  Al113  1  0.815004  0.264642  0.591155  1
  Al  Al114  1  0.155897  0.051795  0.616146  1
  Al  Al115  1  0.306629  0.950083  0.627661  1
  Al  Al116  1  0.631501  0.387409  0.576413  1
  Al  Al117  1  0.970737  0.169351  0.602803  1
  Al  Al118  1  0.489414  0.201631  0.597157  1
  Al  Al119  1  0.827299  0.976812  0.626249  1
  Al  Al120  1  0.169432  0.763915  0.650810  1
  Al  Al121  1  0.253653  0.617214  0.607797  1
  Al  Al122  1  0.596375  0.408181  0.634171  1
  Al  Al123  1  0.913746  0.830569  0.583793  1
  Al  Al124  1  0.444652  0.498626  0.622554  1
  Al  Al125  1  0.788361  0.285565  0.648603  1
  Al  Al126  1  0.099321  0.712333  0.597390  1
  Al  Al127  1  0.271143  0.251219  0.651863  1
  Al  Al128  1  0.603628  0.032424  0.679451  1
  Al  Al129  1  0.952443  0.823828  0.703456  1
  Al  Al130  1  0.507219  0.222575  0.715686  1
  Al  Al131  1  0.840486  0.623567  0.667981  1
  Al  Al132  1  0.191772  0.400059  0.694177  1
  Al  Al133  1  0.352823  0.320550  0.704504  1
  Al  Al134  1  0.652593  0.733335  0.655030  1
  Al  Al135  1  0.992385  0.524097  0.679579  1
  Al  Al136  1  0.503392  0.533419  0.680517  1
  Al  Al137  1  0.855910  0.340450  0.703283  1
  Al  Al138  1  0.208475  0.122407  0.725742  1
  Al  Al139  1  0.292421  0.970982  0.687675  1
  Al  Al140  1  0.613857  0.750083  0.711633  1
  Al  Al141  1  0.938778  0.187554  0.660220  1
  Al  Al142  1  0.457452  0.861659  0.701370  1
  Al  Al143  1  0.813121  0.639981  0.724256  1
  Al  Al144  1  0.132232  0.064525  0.674095  1
