# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.90768253
_cell_length_b   7.85908810
_cell_length_c   49.14915706
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   55.88123879
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm42 Al126'
_cell_volume   7325.46255268
_cell_formula_units_Z   42
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  0.022316  0.097229  0.289516  1
  Sm  Sm2  1  0.325374  0.920086  0.312337  1
  Sm  Sm3  1  0.723755  0.240993  0.268402  1
  Sm  Sm4  1  0.106880  0.452099  0.307080  1
  Sm  Sm5  1  0.406310  0.300609  0.333701  1
  Sm  Sm6  1  0.800315  0.628407  0.286235  1
  Sm  Sm7  1  0.927988  0.588649  0.354783  1
  Sm  Sm8  1  0.227787  0.429663  0.377933  1
  Sm  Sm9  1  0.626107  0.764705  0.335339  1
  Sm  Sm10  1  0.010692  0.956136  0.374092  1
  Sm  Sm11  1  0.312707  0.785419  0.395764  1
  Sm  Sm12  1  0.707814  0.118725  0.350726  1
  Sm  Sm13  1  0.829755  0.099185  0.422674  1
  Sm  Sm14  1  0.130356  0.935084  0.444756  1
  Sm  Sm15  1  0.529140  0.262595  0.399565  1
  Sm  Sm16  1  0.913978  0.460009  0.441117  1
  Sm  Sm17  1  0.214080  0.296768  0.463657  1
  Sm  Sm18  1  0.613105  0.625271  0.418872  1
  Sm  Sm19  1  0.732900  0.603704  0.489292  1
  Sm  Sm20  1  0.033882  0.436794  0.511002  1
  Sm  Sm21  1  0.431744  0.769104  0.467495  1
  Sm  Sm22  1  0.816750  0.964101  0.507823  1
  Sm  Sm23  1  0.117907  0.798701  0.529619  1
  Sm  Sm24  1  0.515768  0.131011  0.486112  1
  Sm  Sm25  1  0.635673  0.107796  0.555998  1
  Sm  Sm26  1  0.936545  0.942533  0.578242  1
  Sm  Sm27  1  0.335570  0.271036  0.533457  1
  Sm  Sm28  1  0.719895  0.468619  0.574440  1
  Sm  Sm29  1  0.020510  0.305210  0.597550  1
  Sm  Sm30  1  0.419294  0.632720  0.552358  1
  Sm  Sm31  1  0.538958  0.611668  0.623022  1
  Sm  Sm32  1  0.841837  0.449079  0.646389  1
  Sm  Sm33  1  0.236943  0.782385  0.601351  1
  Sm  Sm34  1  0.621662  0.979155  0.642331  1
  Sm  Sm35  1  0.923543  0.803099  0.661776  1
  Sm  Sm36  1  0.321863  0.138142  0.619182  1
  Sm  Sm37  1  0.442770  0.115705  0.690034  1
  Sm  Sm38  1  0.749335  0.939397  0.710879  1
  Sm  Sm39  1  0.143340  0.267195  0.663413  1
  Sm  Sm40  1  0.527334  0.470575  0.707598  1
  Sm  Sm41  1  0.825895  0.326812  0.728712  1
  Sm  Sm42  1  0.224276  0.647718  0.684777  1
  Al  Al43  1  0.951689  0.575764  0.291114  1
  Al  Al44  1  0.259052  0.385228  0.316690  1
  Al  Al45  1  0.644376  0.711652  0.274493  1
  Al  Al46  1  0.240399  0.250667  0.268111  1
  Al  Al47  1  0.519714  0.074686  0.289136  1
  Al  Al48  1  0.833194  0.928301  0.310978  1
  Al  Al49  1  0.966543  0.856822  0.320115  1
  Al  Al50  1  0.382462  0.145544  0.279983  1
  Al  Al51  1  0.648770  0.044663  0.294966  1
  Al  Al52  1  0.179455  0.980857  0.299865  1
  Al  Al53  1  0.477259  0.834959  0.320645  1
  Al  Al54  1  0.875937  0.141917  0.281066  1
  Al  Al55  1  0.900021  0.278869  0.330589  1
  Al  Al56  1  0.307854  0.585070  0.285343  1
  Al  Al57  1  0.596349  0.465858  0.306365  1
  Al  Al58  1  0.171852  0.672963  0.276843  1
  Al  Al59  1  0.467807  0.506511  0.295866  1
  Al  Al60  1  0.765635  0.354517  0.321119  1
  Al  Al61  1  0.858223  0.054196  0.360888  1
  Al  Al62  1  0.158908  0.894964  0.382881  1
  Al  Al63  1  0.554660  0.234404  0.336827  1
  Al  Al64  1  0.131349  0.765058  0.332182  1
  Al  Al65  1  0.437729  0.609816  0.354100  1
  Al  Al66  1  0.734401  0.426957  0.377493  1
  Al  Al67  1  0.869719  0.359154  0.387373  1
  Al  Al68  1  0.261506  0.702322  0.341417  1
  Al  Al69  1  0.569426  0.529485  0.364017  1
  Al  Al70  1  0.079484  0.490293  0.369088  1
  Al  Al71  1  0.380377  0.316353  0.394562  1
  Al  Al72  1  0.779443  0.649898  0.348128  1
  Al  Al73  1  0.807400  0.785231  0.396921  1
  Al  Al74  1  0.202433  0.118061  0.352409  1
  Al  Al75  1  0.502709  0.947270  0.375379  1
  Al  Al76  1  0.070753  0.183608  0.342714  1
  Al  Al77  1  0.369516  0.023916  0.365159  1
  Al  Al78  1  0.672982  0.855411  0.388423  1
  Al  Al79  1  0.761964  0.563619  0.427416  1
  Al  Al80  1  0.062004  0.401265  0.448924  1
  Al  Al81  1  0.460742  0.726440  0.405699  1
  Al  Al82  1  0.035450  0.269953  0.399284  1
  Al  Al83  1  0.334990  0.099088  0.422298  1
  Al  Al84  1  0.636696  0.940855  0.444128  1
  Al  Al85  1  0.772149  0.866808  0.453675  1
  Al  Al86  1  0.171880  0.193920  0.409443  1
  Al  Al87  1  0.472897  0.026775  0.432635  1
  Al  Al88  1  0.982063  0.994783  0.435959  1
  Al  Al89  1  0.283436  0.831665  0.457898  1
  Al  Al90  1  0.681801  0.161300  0.413389  1
  Al  Al91  1  0.707805  0.290235  0.464017  1
  Al  Al92  1  0.106118  0.620427  0.419265  1
  Al  Al93  1  0.408571  0.455226  0.441995  1
  Al  Al94  1  0.970051  0.694434  0.408812  1
  Al  Al95  1  0.271242  0.529399  0.432075  1
  Al  Al96  1  0.572313  0.364133  0.453646  1
  Al  Al97  1  0.664097  0.069839  0.493883  1
  Al  Al98  1  0.965259  0.902395  0.516430  1
  Al  Al99  1  0.363157  0.235374  0.471481  1
  Al  Al100  1  0.938043  0.774616  0.466045  1
  Al  Al101  1  0.239912  0.609452  0.488388  1
  Al  Al102  1  0.541018  0.444162  0.510750  1
  Al  Al103  1  0.675632  0.370154  0.520688  1
  Al  Al104  1  0.072559  0.702054  0.475894  1
  Al  Al105  1  0.373773  0.537164  0.498390  1
  Al  Al106  1  0.885553  0.497965  0.503231  1
  Al  Al107  1  0.186493  0.332431  0.525633  1
  Al  Al108  1  0.584391  0.665409  0.480684  1
  Al  Al109  1  0.611607  0.793189  0.531070  1
  Al  Al110  1  0.008632  0.123643  0.486364  1
  Al  Al111  1  0.309739  0.958352  0.508726  1
  Al  Al112  1  0.874018  0.197650  0.476426  1
  Al  Al113  1  0.175878  0.030641  0.498724  1
  Al  Al114  1  0.477092  0.865751  0.521220  1
  Al  Al115  1  0.567587  0.573022  0.561155  1
  Al  Al116  1  0.867849  0.406504  0.583726  1
  Al  Al117  1  0.266214  0.736140  0.539216  1
  Al  Al118  1  0.841845  0.277569  0.533097  1
  Al  Al119  1  0.141079  0.112578  0.555119  1
  Al  Al120  1  0.443532  0.947377  0.577849  1
  Al  Al121  1  0.579599  0.873370  0.588302  1
  Al  Al122  1  0.977337  0.203672  0.543468  1
  Al  Al123  1  0.278409  0.038405  0.565039  1
  Al  Al124  1  0.787686  0.004186  0.569698  1
  Al  Al125  1  0.088908  0.841364  0.591416  1
  Al  Al126  1  0.487646  0.166540  0.548190  1
  Al  Al127  1  0.514200  0.297852  0.597830  1
  Al  Al128  1  0.912954  0.626949  0.552986  1
  Al  Al129  1  0.214660  0.468717  0.574816  1
  Al  Al130  1  0.777501  0.700997  0.543439  1
  Al  Al131  1  0.076753  0.541030  0.564479  1
  Al  Al132  1  0.377771  0.373884  0.587671  1
  Al  Al133  1  0.470167  0.077511  0.628026  1
  Al  Al134  1  0.770208  0.917907  0.648986  1
  Al  Al135  1  0.169273  0.251451  0.602552  1
  Al  Al136  1  0.742250  0.782573  0.600193  1
  Al  Al137  1  0.046941  0.620534  0.621735  1
  Al  Al138  1  0.347217  0.449744  0.644705  1
  Al  Al139  1  0.478897  0.384196  0.654400  1
  Al  Al140  1  0.876669  0.712393  0.608691  1
  Al  Al141  1  0.180134  0.543888  0.631955  1
  Al  Al142  1  0.691427  0.513608  0.636226  1
  Al  Al143  1  0.994991  0.333400  0.660287  1
  Al  Al144  1  0.390742  0.672841  0.614233  1
  Al  Al145  1  0.418301  0.802747  0.664932  1
  Al  Al146  1  0.815249  0.140847  0.619622  1
  Al  Al147  1  0.111921  0.957989  0.643014  1
  Al  Al148  1  0.679931  0.208650  0.609741  1
  Al  Al149  1  0.980224  0.038320  0.633098  1
  Al  Al150  1  0.288144  0.865482  0.655698  1
  Al  Al151  1  0.370195  0.586947  0.697250  1
  Al  Al152  1  0.673713  0.425888  0.716048  1
  Al  Al153  1  0.072391  0.732845  0.676469  1
  Al  Al154  1  0.649629  0.288935  0.666525  1
  Al  Al155  1  0.953301  0.101946  0.690749  1
  Al  Al156  1  0.241796  0.982734  0.711771  1
  Al  Al157  1  0.377798  0.894841  0.720271  1
  Al  Al158  1  0.784016  0.213287  0.675995  1
  Al  Al159  1  0.081843  0.061293  0.701248  1
  Al  Al160  1  0.597961  0.992040  0.706000  1
  Al  Al161  1  0.905274  0.856152  0.722621  1
  Al  Al162  1  0.290598  0.182577  0.680424  1
  Al  Al163  1  0.309251  0.317137  0.729003  1
  Al  Al164  1  0.716456  0.639503  0.686136  1
  Al  Al165  1  0.029936  0.493118  0.707978  1
  Al  Al166  1  0.583107  0.710982  0.676999  1
  Al  Al167  1  0.900880  0.523141  0.702148  1
  Al  Al168  1  0.167189  0.422261  0.717132  1
