# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32455987
_cell_length_b   19.18409742
_cell_length_c   48.91790915
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.53417044
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm30 Al90'
_cell_volume   5853.27375499
_cell_formula_units_Z   30
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  0.457365  0.905242  0.318560  1
  Sm  Sm2  1  0.773233  0.537176  0.292859  1
  Sm  Sm3  1  0.144431  0.279333  0.346051  1
  Sm  Sm4  1  0.030893  0.052671  0.345607  1
  Sm  Sm5  1  0.342315  0.675571  0.314318  1
  Sm  Sm6  1  0.716887  0.424815  0.371279  1
  Sm  Sm7  1  0.518187  0.026698  0.400988  1
  Sm  Sm8  1  0.831503  0.653406  0.373011  1
  Sm  Sm9  1  0.204479  0.399241  0.429516  1
  Sm  Sm10  1  0.089138  0.169115  0.424067  1
  Sm  Sm11  1  0.402696  0.796294  0.396642  1
  Sm  Sm12  1  0.775929  0.542667  0.452972  1
  Sm  Sm13  1  0.577941  0.145983  0.485071  1
  Sm  Sm14  1  0.891277  0.772738  0.457478  1
  Sm  Sm15  1  0.264422  0.518904  0.512416  1
  Sm  Sm16  1  0.149083  0.288866  0.508320  1
  Sm  Sm17  1  0.462602  0.915945  0.480976  1
  Sm  Sm18  1  0.835747  0.662111  0.535913  1
  Sm  Sm19  1  0.637886  0.265734  0.569324  1
  Sm  Sm20  1  0.951096  0.892182  0.540420  1
  Sm  Sm21  1  0.324328  0.638555  0.596750  1
  Sm  Sm22  1  0.208837  0.408151  0.592403  1
  Sm  Sm23  1  0.522545  0.035608  0.563876  1
  Sm  Sm24  1  0.895521  0.781443  0.620381  1
  Sm  Sm25  1  0.696131  0.382178  0.647785  1
  Sm  Sm26  1  0.010137  0.010034  0.622112  1
  Sm  Sm27  1  0.384709  0.759278  0.679073  1
  Sm  Sm28  1  0.269659  0.529607  0.674831  1
  Sm  Sm29  1  0.582593  0.155516  0.647341  1
  Sm  Sm30  1  0.953792  0.897673  0.700532  1
  Al  Al31  1  0.534480  0.059868  0.338687  1
  Al  Al32  1  0.852682  0.696297  0.310244  1
  Al  Al33  1  0.219965  0.431004  0.366896  1
  Al  Al34  1  0.258538  0.029606  0.292114  1
  Al  Al35  1  0.676923  0.786158  0.344420  1
  Al  Al36  1  0.951156  0.401667  0.317269  1
  Al  Al37  1  0.780514  0.029671  0.292095  1
  Al  Al38  1  0.118464  0.786197  0.344405  1
  Al  Al39  1  0.459587  0.401726  0.317257  1
  Al  Al40  1  0.956302  0.903183  0.317518  1
  Al  Al41  1  0.260465  0.511821  0.296183  1
  Al  Al42  1  0.643649  0.277802  0.342634  1
  Al  Al43  1  0.187733  0.918457  0.369995  1
  Al  Al44  1  0.499664  0.542934  0.343651  1
  Al  Al45  1  0.816058  0.169279  0.312937  1
  Al  Al46  1  0.740106  0.918404  0.370017  1
  Al  Al47  1  0.052526  0.542899  0.343665  1
  Al  Al48  1  0.362628  0.169277  0.312949  1
  Al  Al49  1  0.594149  0.179128  0.423152  1
  Al  Al50  1  0.907172  0.805244  0.395362  1
  Al  Al51  1  0.281232  0.553256  0.450676  1
  Al  Al52  1  0.371398  0.162385  0.372017  1
  Al  Al53  1  0.724575  0.901816  0.428943  1
  Al  Al54  1  0.046941  0.531425  0.401207  1
  Al  Al55  1  0.800271  0.162403  0.372002  1
  Al  Al56  1  0.186643  0.901877  0.428921  1
  Al  Al57  1  0.493778  0.531481  0.401189  1
  Al  Al58  1  0.010891  0.012170  0.405608  1
  Al  Al59  1  0.326742  0.643903  0.375780  1
  Al  Al60  1  0.698906  0.388111  0.432231  1
  Al  Al61  1  0.253977  0.038985  0.453536  1
  Al  Al62  1  0.566768  0.666521  0.425493  1
  Al  Al63  1  0.874600  0.293156  0.397455  1
  Al  Al64  1  0.794597  0.038930  0.453555  1
  Al  Al65  1  0.109250  0.666462  0.425514  1
  Al  Al66  1  0.427958  0.293097  0.397482  1
  Al  Al67  1  0.653671  0.298025  0.506965  1
  Al  Al68  1  0.967793  0.926306  0.478400  1
  Al  Al69  1  0.340261  0.671115  0.534656  1
  Al  Al70  1  0.414236  0.275433  0.456416  1
  Al  Al71  1  0.790890  0.023800  0.511800  1
  Al  Al72  1  0.104978  0.650276  0.484042  1
  Al  Al73  1  0.870631  0.275493  0.456392  1
  Al  Al74  1  0.242474  0.023855  0.511780  1
  Al  Al75  1  0.554788  0.650334  0.484020  1
  Al  Al76  1  0.073353  0.136824  0.486426  1
  Al  Al77  1  0.386763  0.763734  0.458735  1
  Al  Al78  1  0.759232  0.508544  0.514991  1
  Al  Al79  1  0.312788  0.159416  0.536975  1
  Al  Al80  1  0.622047  0.784573  0.509350  1
  Al  Al81  1  0.936134  0.411049  0.481592  1
  Al  Al82  1  0.856393  0.159356  0.536999  1
  Al  Al83  1  0.172236  0.784515  0.509371  1
  Al  Al84  1  0.484550  0.410995  0.481611  1
  Al  Al85  1  0.716133  0.422679  0.587783  1
  Al  Al86  1  0.028118  0.046738  0.561161  1
  Al  Al87  1  0.400282  0.790946  0.617611  1
  Al  Al88  1  0.473047  0.395864  0.539856  1
  Al  Al89  1  0.852424  0.141693  0.595937  1
  Al  Al90  1  0.160257  0.768328  0.567898  1
  Al  Al91  1  0.932428  0.395919  0.539837  1
  Al  Al92  1  0.299066  0.141753  0.595909  1
  Al  Al93  1  0.617774  0.768387  0.567878  1
  Al  Al94  1  0.132876  0.255721  0.570239  1
  Al  Al95  1  0.445792  0.881593  0.542716  1
  Al  Al96  1  0.819852  0.629605  0.598029  1
  Al  Al97  1  0.355626  0.272464  0.621375  1
  Al  Al98  1  0.680083  0.903424  0.592184  1
  Al  Al99  1  1.002449  0.533033  0.564448  1
  Al  Al100  1  0.926753  0.272446  0.621389  1
  Al  Al101  1  0.233246  0.903368  0.592203  1
  Al  Al102  1  0.540381  0.532972  0.564471  1
  Al  Al103  1  0.770722  0.531666  0.675873  1
  Al  Al104  1  0.083375  0.157047  0.650758  1
  Al  Al105  1  0.466559  0.923029  0.697208  1
  Al  Al106  1  0.539291  0.516392  0.623396  1
  Al  Al107  1  0.910966  0.265570  0.680454  1
  Al  Al108  1  0.227360  0.891915  0.649740  1
  Al  Al109  1  0.986918  0.516445  0.623375  1
  Al  Al110  1  0.364397  0.265572  0.680443  1
  Al  Al111  1  0.674498  0.891950  0.649726  1
  Al  Al112  1  0.192544  0.374981  0.654704  1
  Al  Al113  1  0.507059  0.003845  0.626495  1
  Al  Al114  1  0.874342  0.738552  0.683147  1
  Al  Al115  1  0.468486  0.405243  0.701277  1
  Al  Al116  1  0.775868  0.033182  0.676123  1
  Al  Al117  1  0.050101  0.648691  0.648971  1
  Al  Al118  1  0.946510  0.405178  0.701296  1
  Al  Al119  1  0.267438  0.033123  0.676135  1
  Al  Al120  1  0.608560  0.648652  0.648986  1
