# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85329745
_cell_length_b   14.98278585
_cell_length_c   47.37683184
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm54 Al18'
_cell_volume   4741.54603746
_cell_formula_units_Z   18
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  0.199287  0.951529  0.333046  1
  Sm  Sm2  1  0.348680  0.250464  0.358473  1
  Sm  Sm3  1  0.025508  0.603040  0.307088  1
  Sm  Sm4  1  0.373116  0.813272  0.285702  1
  Sm  Sm5  1  0.539670  0.145315  0.296673  1
  Sm  Sm6  1  0.665050  0.397987  0.315427  1
  Sm  Sm7  1  0.685669  0.951883  0.333009  1
  Sm  Sm8  1  0.128298  0.324002  0.285709  1
  Sm  Sm9  1  0.511247  0.603373  0.307018  1
  Sm  Sm10  1  0.654099  0.879457  0.403619  1
  Sm  Sm11  1  0.811659  0.195921  0.429708  1
  Sm  Sm12  1  0.504685  0.555093  0.377854  1
  Sm  Sm13  1  0.842300  0.751865  0.356989  1
  Sm  Sm14  1  0.998630  0.064511  0.385263  1
  Sm  Sm15  1  0.156370  0.378473  0.409729  1
  Sm  Sm16  1  0.158271  0.879279  0.403639  1
  Sm  Sm17  1  0.835868  0.251376  0.358571  1
  Sm  Sm18  1  0.985279  0.555622  0.378073  1
  Sm  Sm19  1  0.127909  0.820381  0.475179  1
  Sm  Sm20  1  0.287134  0.141094  0.500430  1
  Sm  Sm21  1  0.972240  0.513829  0.452415  1
  Sm  Sm22  1  0.313444  0.692687  0.425545  1
  Sm  Sm23  1  0.470216  1.007001  0.453199  1
  Sm  Sm24  1  0.631164  0.329082  0.477798  1
  Sm  Sm25  1  0.626323  0.820396  0.475128  1
  Sm  Sm26  1  0.317647  0.195766  0.429654  1
  Sm  Sm27  1  0.475641  0.513939  0.452262  1
  Sm  Sm28  1  0.601742  0.766870  0.547508  1
  Sm  Sm29  1  0.762383  0.086820  0.571253  1
  Sm  Sm30  1  0.444765  0.458868  0.524947  1
  Sm  Sm31  1  0.786364  0.639355  0.500141  1
  Sm  Sm32  1  0.942944  0.952630  0.522497  1
  Sm  Sm33  1  0.103713  0.274246  0.548061  1
  Sm  Sm34  1  0.098099  0.766829  0.547607  1
  Sm  Sm35  1  0.787095  0.141094  0.500450  1
  Sm  Sm36  1  0.946183  0.458731  0.525107  1
  Sm  Sm37  1  0.069051  0.724554  0.621177  1
  Sm  Sm38  1  0.225801  0.028565  0.641332  1
  Sm  Sm39  1  0.919795  0.399595  0.597411  1
  Sm  Sm40  1  0.259406  0.586352  0.573463  1
  Sm  Sm41  1  0.417441  0.902273  0.590364  1
  Sm  Sm42  1  0.575768  0.217806  0.617235  1
  Sm  Sm43  1  0.587976  0.724193  0.620955  1
  Sm  Sm44  1  0.257644  0.086960  0.571275  1
  Sm  Sm45  1  0.414233  0.399838  0.597259  1
  Sm  Sm46  1  0.540364  0.669065  0.691941  1
  Sm  Sm47  1  0.442834  0.951911  0.713367  1
  Sm  Sm48  1  0.374737  0.338986  0.670949  1
  Sm  Sm49  1  0.731794  0.530314  0.642013  1
  Sm  Sm50  1  0.903391  0.872108  0.681484  1
  Sm  Sm51  1  0.026093  0.120772  0.700832  1
  Sm  Sm52  1  0.062174  0.668078  0.692024  1
  Sm  Sm53  1  0.735543  0.027889  0.641277  1
  Sm  Sm54  1  0.895088  0.338719  0.671093  1
  Al  Al55  1  0.866997  0.800809  0.295548  1
  Al  Al56  1  0.029614  0.126248  0.317921  1
  Al  Al57  1  0.182028  0.429832  0.340930  1
  Al  Al58  1  0.340970  0.748564  0.355941  1
  Al  Al59  1  0.499690  0.065990  0.383736  1
  Al  Al60  1  0.656486  0.379169  0.407652  1
  Al  Al61  1  0.813835  0.693882  0.427510  1
  Al  Al62  1  0.970718  1.008058  0.453116  1
  Al  Al63  1  0.130113  0.326916  0.477964  1
  Al  Al64  1  0.286613  0.639984  0.499955  1
  Al  Al65  1  0.443728  0.954277  0.522642  1
  Al  Al66  1  0.602985  0.272769  0.547786  1
  Al  Al67  1  0.759238  0.585518  0.572125  1
  Al  Al68  1  0.917487  0.901921  0.592691  1
  Al  Al69  1  0.074494  0.215924  0.619097  1
  Al  Al70  1  0.234100  0.534753  0.641327  1
  Al  Al71  1  0.389716  0.846592  0.658601  1
  Al  Al72  1  0.542681  0.153231  0.681950  1
