# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30544125
_cell_length_b   7.86225663
_cell_length_c   50.17035759
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.85842204
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm12 Al36'
_cell_volume   2274.65881506
_cell_formula_units_Z   12
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  0.700188  0.388451  0.348960  1
  Sm  Sm2  1  0.187440  0.364496  0.290020  1
  Sm  Sm3  1  0.896370  0.779834  0.417234  1
  Sm  Sm4  1  0.384463  0.758642  0.358568  1
  Sm  Sm5  1  0.105293  0.196711  0.490027  1
  Sm  Sm6  1  0.596066  0.181631  0.431203  1
  Sm  Sm7  1  0.310886  0.606940  0.560680  1
  Sm  Sm8  1  0.801659  0.591859  0.501856  1
  Sm  Sm9  1  0.522489  0.029928  0.633315  1
  Sm  Sm10  1  0.010581  0.008737  0.574648  1
  Sm  Sm11  1  0.719512  0.424075  0.701863  1
  Sm  Sm12  1  0.206764  0.400120  0.642922  1
  Al  Al13  1  0.670953  0.331760  0.289619  1
  Al  Al14  1  0.633877  0.690083  0.307835  1
  Al  Al15  1  0.067685  0.690014  0.307744  1
  Al  Al16  1  0.168502  0.325596  0.350542  1
  Al  Al17  1  0.294069  0.059035  0.321707  1
  Al  Al18  1  0.774920  0.058956  0.321764  1
  Al  Al19  1  0.915056  0.819627  0.353446  1
  Al  Al20  1  0.809237  0.081118  0.381371  1
  Al  Al21  1  0.283216  0.081473  0.381263  1
  Al  Al22  1  0.387478  0.762097  0.420533  1
  Al  Al23  1  0.455628  0.459482  0.396966  1
  Al  Al24  1  0.015383  0.459273  0.397063  1
  Al  Al25  1  0.103770  0.197104  0.428499  1
  Al  Al26  1  0.030431  0.499614  0.453028  1
  Al  Al27  1  0.481083  0.500037  0.452917  1
  Al  Al28  1  0.590083  0.166397  0.492876  1
  Al  Al29  1  0.676597  0.878987  0.466969  1
  Al  Al30  1  0.214776  0.878546  0.467084  1
  Al  Al31  1  0.316869  0.622174  0.499007  1
  Al  Al32  1  0.230355  0.909584  0.524913  1
  Al  Al33  1  0.692176  0.910025  0.524798  1
  Al  Al34  1  0.803182  0.591467  0.563383  1
  Al  Al35  1  0.876521  0.288957  0.538855  1
  Al  Al36  1  0.425869  0.288534  0.538966  1
  Al  Al37  1  0.519474  0.026474  0.571349  1
  Al  Al38  1  0.451324  0.329089  0.594916  1
  Al  Al39  1  0.891569  0.329298  0.594820  1
  Al  Al40  1  0.991896  0.968944  0.638436  1
  Al  Al41  1  0.097715  0.707453  0.610512  1
  Al  Al42  1  0.623736  0.707098  0.610620  1
  Al  Al43  1  0.738449  0.462975  0.641341  1
  Al  Al44  1  0.612882  0.729536  0.670176  1
  Al  Al45  1  0.132032  0.729615  0.670119  1
  Al  Al46  1  0.235999  0.456811  0.702264  1
  Al  Al47  1  0.273075  0.098488  0.684048  1
  Al  Al48  1  0.839267  0.098557  0.684138  1
