# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87232958
_cell_length_b   10.79919385
_cell_length_c   48.60414879
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm42 Al14'
_cell_volume   3422.0780647
_cell_formula_units_Z   14
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  0.047943  0.714515  0.325537  1
  Sm  Sm2  1  0.836102  0.279472  0.290569  1
  Sm  Sm3  1  0.227271  0.578719  0.270073  1
  Sm  Sm4  1  0.423712  0.971510  0.298382  1
  Sm  Sm5  1  0.542061  0.714491  0.325569  1
  Sm  Sm6  1  0.320021  0.279720  0.290580  1
  Sm  Sm7  1  0.487458  0.603156  0.391950  1
  Sm  Sm8  1  0.268418  0.151624  0.355824  1
  Sm  Sm9  1  0.654816  0.434107  0.344894  1
  Sm  Sm10  1  0.876147  0.876975  0.376482  1
  Sm  Sm11  1  0.991067  0.603133  0.391929  1
  Sm  Sm12  1  0.758631  0.151704  0.355845  1
  Sm  Sm13  1  0.932576  0.488734  0.458413  1
  Sm  Sm14  1  0.709659  0.046520  0.424239  1
  Sm  Sm15  1  0.098658  0.321823  0.407595  1
  Sm  Sm16  1  0.321633  0.768091  0.442107  1
  Sm  Sm17  1  0.431272  0.488753  0.458429  1
  Sm  Sm18  1  0.212112  0.046506  0.424228  1
  Sm  Sm19  1  0.376712  0.377890  0.525182  1
  Sm  Sm20  1  0.154876  0.935214  0.491663  1
  Sm  Sm21  1  0.543189  0.211310  0.474764  1
  Sm  Sm22  1  0.765823  0.656643  0.508239  1
  Sm  Sm23  1  0.876358  0.377964  0.525152  1
  Sm  Sm24  1  0.655325  0.935167  0.491672  1
  Sm  Sm25  1  0.821471  0.269547  0.592436  1
  Sm  Sm26  1  0.598263  0.821717  0.558360  1
  Sm  Sm27  1  0.987848  0.100684  0.541944  1
  Sm  Sm28  1  0.209951  0.544766  0.575142  1
  Sm  Sm29  1  0.322630  0.269533  0.592545  1
  Sm  Sm30  1  0.098593  0.821745  0.558300  1
  Sm  Sm31  1  0.263482  0.155507  0.658832  1
  Sm  Sm32  1  0.042055  0.705948  0.624989  1
  Sm  Sm33  1  0.432169  0.989477  0.607870  1
  Sm  Sm34  1  0.655037  0.437118  0.643801  1
  Sm  Sm35  1  0.767687  0.156740  0.658685  1
  Sm  Sm36  1  0.537966  0.705484  0.625161  1
  Sm  Sm37  1  0.687375  0.018081  0.725021  1
  Sm  Sm38  1  0.486515  0.611060  0.696255  1
  Sm  Sm39  1  0.877618  0.881457  0.670123  1
  Sm  Sm40  1  0.099179  0.321221  0.710741  1
  Sm  Sm41  1  0.206199  0.013275  0.724933  1
  Sm  Sm42  1  0.996360  0.609020  0.695685  1
  Al  Al43  1  0.709748  0.543489  0.284480  1
  Al  Al44  1  0.933009  0.990338  0.313024  1
  Al  Al45  1  0.156275  0.436968  0.342355  1
  Al  Al46  1  0.377545  0.879734  0.374906  1
  Al  Al47  1  0.599043  0.322737  0.408708  1
  Al  Al48  1  0.821411  0.767613  0.442103  1
  Al  Al49  1  0.043269  0.211429  0.474857  1
  Al  Al50  1  0.265566  0.656032  0.508458  1
  Al  Al51  1  0.488083  0.101272  0.541745  1
  Al  Al52  1  0.709567  0.544198  0.575041  1
  Al  Al53  1  0.932236  0.989792  0.607045  1
  Al  Al54  1  0.154945  0.435333  0.643085  1
  Al  Al55  1  0.377172  0.878993  0.671005  1
  Al  Al56  1  0.591463  0.308608  0.703404  1
