# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93092069
_cell_length_b   16.89863431
_cell_length_c   57.49316195
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm45 Al15'
_cell_volume   3819.10925813
_cell_formula_units_Z   15
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  0.806798  0.134172  0.258207  1
  Sm  Sm2  1  0.742968  0.886977  0.224257  1
  Sm  Sm3  1  0.473260  0.474791  0.283720  1
  Sm  Sm4  1  0.244619  0.081236  0.209178  1
  Sm  Sm5  1  0.212600  0.811879  0.268940  1
  Sm  Sm6  1  1.070599  0.494697  0.228549  1
  Sm  Sm7  1  0.517080  0.296604  0.227493  1
  Sm  Sm8  1  0.726768  0.915851  0.304207  1
  Sm  Sm9  1  0.756587  0.648671  0.264364  1
  Sm  Sm10  1  0.668113  0.074400  0.364132  1
  Sm  Sm11  1  0.432300  0.722312  0.319777  1
  Sm  Sm12  1  0.681205  0.320682  0.378394  1
  Sm  Sm13  1  0.191969  0.076359  0.309583  1
  Sm  Sm14  1  1.034359  0.656884  0.368050  1
  Sm  Sm15  1  1.035784  0.388099  0.327029  1
  Sm  Sm16  1  0.570702  0.249024  0.303794  1
  Sm  Sm17  1  0.674566  0.823751  0.375032  1
  Sm  Sm18  1  0.466256  0.500225  0.361910  1
  Sm  Sm19  1  0.693557  0.830283  0.449937  1
  Sm  Sm20  1  0.694160  0.577864  0.417773  1
  Sm  Sm21  1  0.178597  0.174467  0.485670  1
  Sm  Sm22  1  0.175899  0.951262  0.406417  1
  Sm  Sm23  1  0.143456  0.475078  0.461844  1
  Sm  Sm24  1  0.175263  0.199666  0.408246  1
  Sm  Sm25  1  0.677874  0.085872  0.440543  1
  Sm  Sm26  1  0.302686  0.662323  0.472444  1
  Sm  Sm27  1  0.676980  0.316021  0.453504  1
  Sm  Sm28  1  0.678992  0.712690  0.525021  1
  Sm  Sm29  1  0.691683  0.493540  0.512254  1
  Sm  Sm30  1  0.782621  0.118359  0.603395  1
  Sm  Sm31  1  0.151797  0.852841  0.504908  1
  Sm  Sm32  1  0.218751  0.412210  0.561192  1
  Sm  Sm33  1  0.165773  0.048946  0.553596  1
  Sm  Sm34  1  0.669881  0.017561  0.503167  1
  Sm  Sm35  1  0.717974  0.581676  0.585028  1
  Sm  Sm36  1  0.709828  0.241096  0.537763  1
  Sm  Sm37  1  0.338465  0.691086  0.626921  1
  Sm  Sm38  1  0.727457  0.346134  0.611912  1
  Sm  Sm39  1  0.541464  0.817475  0.673052  1
  Sm  Sm40  1  1.099303  0.777788  0.574499  1
  Sm  Sm41  1  0.147838  0.377107  0.668266  1
  Sm  Sm42  1  0.996732  0.006780  0.656847  1
  Sm  Sm43  1  0.464353  0.938374  0.603432  1
  Sm  Sm44  1  0.726696  0.556480  0.659735  1
  Sm  Sm45  1  0.402510  0.194639  0.649619  1
  Al  Al46  1  1.016325  0.336512  0.268151  1
  Al  Al47  1  0.270929  -0.011846  0.259810  1
  Al  Al48  1  0.237251  0.711465  0.224271  1
  Al  Al49  1  0.148367  0.212452  0.348420  1
  Al  Al50  1  0.195961  0.933459  0.347601  1
  Al  Al51  1  0.948347  0.572046  0.318097  1
  Al  Al52  1  0.179567  -0.030940  0.462845  1
  Al  Al53  1  0.199548  0.740260  0.415396  1
  Al  Al54  1  0.190803  0.409819  0.412087  1
  Al  Al55  1  0.633908  0.896793  0.548012  1
  Al  Al56  1  0.193273  0.590840  0.543749  1
  Al  Al57  1  0.194863  0.345497  0.503392  1
  Al  Al58  1  0.959934  0.838310  0.629995  1
  Al  Al59  1  0.223735  0.490695  0.619765  1
  Al  Al60  1  0.244259  0.236954  0.581391  1
