# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.60409466
_cell_length_b   27.58163669
_cell_length_c   50.05881661
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm36 Al108'
_cell_volume   6356.89233561
_cell_formula_units_Z   36
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  0.753914  0.437276  0.324821  1
  Sm  Sm2  1  0.753914  0.228343  0.273692  1
  Sm  Sm3  1  0.753914  0.832551  0.298770  1
  Sm  Sm4  1  0.253914  0.310225  0.330950  1
  Sm  Sm5  1  0.253914  0.100591  0.281122  1
  Sm  Sm6  1  0.253914  0.702835  0.308918  1
  Sm  Sm7  1  0.753914  0.253904  0.401129  1
  Sm  Sm8  1  0.753914  0.043140  0.348743  1
  Sm  Sm9  1  0.753914  0.647739  0.373642  1
  Sm  Sm10  1  0.253914  0.123978  0.408810  1
  Sm  Sm11  1  0.253914  0.914630  0.356397  1
  Sm  Sm12  1  0.253914  0.518886  0.381790  1
  Sm  Sm13  1  0.753914  0.069128  0.477598  1
  Sm  Sm14  1  0.753914  0.859672  0.426357  1
  Sm  Sm15  1  0.753914  0.464646  0.451635  1
  Sm  Sm16  1  0.253914  0.939970  0.485549  1
  Sm  Sm17  1  0.253914  0.729115  0.434536  1
  Sm  Sm18  1  0.253914  0.334227  0.459798  1
  Sm  Sm19  1  0.753914  0.885241  0.553818  1
  Sm  Sm20  1  0.753914  0.674387  0.502804  1
  Sm  Sm21  1  0.753914  0.280130  0.528556  1
  Sm  Sm22  1  0.253914  0.754684  0.561997  1
  Sm  Sm23  1  0.253914  0.545228  0.510756  1
  Sm  Sm24  1  0.253914  0.149711  0.536719  1
  Sm  Sm25  1  0.753914  0.699726  0.631957  1
  Sm  Sm26  1  0.753914  0.490378  0.579544  1
  Sm  Sm27  1  0.753914  0.095470  0.606564  1
  Sm  Sm28  1  0.253914  0.571216  0.639611  1
  Sm  Sm29  1  0.253914  0.360452  0.587224  1
  Sm  Sm30  1  0.253914  0.966618  0.614712  1
  Sm  Sm31  1  0.753914  0.513766  0.707232  1
  Sm  Sm32  1  0.753914  0.304131  0.657404  1
  Sm  Sm33  1  0.753914  0.911521  0.679436  1
  Sm  Sm34  1  0.253914  0.386014  0.714662  1
  Sm  Sm35  1  0.253914  0.177081  0.663533  1
  Sm  Sm36  1  0.253914  0.781805  0.689584  1
  Al  Al37  1  0.253914  0.594323  0.282821  1
  Al  Al38  1  0.253914  0.201047  0.312095  1
  Al  Al39  1  0.253914  0.805515  0.336869  1
  Al  Al40  1  0.753914  0.237545  0.337723  1
  Al  Al41  1  0.753914  0.022211  0.284699  1
  Al  Al42  1  0.753914  0.628714  0.307914  1
  Al  Al43  1  0.753914  0.533280  0.286639  1
  Al  Al44  1  0.753914  0.141454  0.315609  1
  Al  Al45  1  0.753914  0.747215  0.341211  1
  Al  Al46  1  0.753914  0.341202  0.291246  1
  Al  Al47  1  0.753914  0.941869  0.317382  1
  Al  Al48  1  0.753914  0.724533  0.270472  1
  Al  Al49  1  0.253914  0.509883  0.315459  1
  Al  Al50  1  0.253914  0.305387  0.268015  1
  Al  Al51  1  0.253914  0.909696  0.290824  1
  Al  Al52  1  0.253914  0.401297  0.288204  1
  Al  Al53  1  0.253914  1.001808  0.313859  1
  Al  Al54  1  0.253914  0.784159  0.266328  1
  Al  Al55  1  0.253914  0.409176  0.362658  1
  Al  Al56  1  0.253914  0.015715  0.386906  1
  Al  Al57  1  0.253914  0.620868  0.412147  1
  Al  Al58  1  0.753914  0.050996  0.413427  1
  Al  Al59  1  0.753914  0.842234  0.363004  1
  Al  Al60  1  0.753914  0.446126  0.388447  1
  Al  Al61  1  0.753914  0.349221  0.365418  1
  Al  Al62  1  0.753914  0.955576  0.390553  1
  Al  Al63  1  0.753914  0.560618  0.415924  1
  Al  Al64  1  0.753914  0.152541  0.371064  1
  Al  Al65  1  0.753914  0.757571  0.397062  1
  Al  Al66  1  0.753914  0.546347  0.342829  1
  Al  Al67  1  0.253914  0.326256  0.395539  1
  Al  Al68  1  0.253914  0.116350  0.344773  1
  Al  Al69  1  0.253914  0.721809  0.371241  1
  Al  Al70  1  0.253914  0.212798  0.367478  1
  Al  Al71  1  0.253914  0.817893  0.392941  1
  Al  Al72  1  0.253914  0.604029  0.339230  1
  Al  Al73  1  0.253914  0.225415  0.438901  1
  Al  Al74  1  0.253914  0.831137  0.464136  1
  Al  Al75  1  0.253914  0.436425  0.489468  1
  Al  Al76  1  0.753914  0.866796  0.490477  1
  Al  Al77  1  0.753914  0.656011  0.438501  1
  Al  Al78  1  0.753914  0.261242  0.465201  1
  Al  Al79  1  0.753914  0.165746  0.442496  1
  Al  Al80  1  0.753914  0.771550  0.467835  1
  Al  Al81  1  0.753914  0.376739  0.493154  1
  Al  Al82  1  0.753914  0.967847  0.447178  1
  Al  Al83  1  0.753914  0.572935  0.472438  1
  Al  Al84  1  0.753914  0.362703  0.421803  1
  Al  Al85  1  0.253914  0.142086  0.472522  1
  Al  Al86  1  0.253914  0.932316  0.420618  1
  Al  Al87  1  0.253914  0.537334  0.445888  1
  Al  Al88  1  0.253914  0.027420  0.443542  1
  Al  Al89  1  0.253914  0.632403  0.468744  1
  Al  Al90  1  0.253914  0.422525  0.418413  1
  Al  Al91  1  0.253914  0.041421  0.515916  1
  Al  Al92  1  0.253914  0.646510  0.541175  1
  Al  Al93  1  0.253914  0.251654  0.566551  1
  Al  Al94  1  0.753914  0.682041  0.567736  1
  Al  Al95  1  0.753914  0.472271  0.515832  1
  Al  Al96  1  0.753914  0.077022  0.542465  1
  Al  Al97  1  0.753914  0.981954  0.519610  1
  Al  Al98  1  0.753914  0.586937  0.544812  1
  Al  Al99  1  0.753914  0.191832  0.569941  1
  Al  Al100  1  0.753914  0.783219  0.524218  1
  Al  Al101  1  0.753914  0.388941  0.549452  1
  Al  Al102  1  0.753914  0.177932  0.498886  1
  Al  Al103  1  0.253914  0.958345  0.549852  1
  Al  Al104  1  0.253914  0.747560  0.497877  1
  Al  Al105  1  0.253914  0.353115  0.523152  1
  Al  Al106  1  0.253914  0.842806  0.520519  1
  Al  Al107  1  0.253914  0.448610  0.545858  1
  Al  Al108  1  0.253914  0.237618  0.495199  1
  Al  Al109  1  0.253914  0.856785  0.591292  1
  Al  Al110  1  0.253914  0.461815  0.617290  1
  Al  Al111  1  0.253914  0.068009  0.645525  1
  Al  Al112  1  0.753914  0.498006  0.643581  1
  Al  Al113  1  0.753914  0.288100  0.592815  1
  Al  Al114  1  0.753914  0.892548  0.617113  1
  Al  Al115  1  0.753914  0.796464  0.595413  1
  Al  Al116  1  0.753914  0.401558  0.620876  1
  Al  Al117  1  0.753914  0.010328  0.649124  1
  Al  Al118  1  0.753914  0.598642  0.601448  1
  Al  Al119  1  0.753914  0.205181  0.625696  1
  Al  Al120  1  0.753914  0.993488  0.576207  1
  Al  Al121  1  0.253914  0.772122  0.625350  1
  Al  Al122  1  0.253914  0.563360  0.574927  1
  Al  Al123  1  0.253914  0.168231  0.599907  1
  Al  Al124  1  0.253914  0.658781  0.597801  1
  Al  Al125  1  0.253914  0.265136  0.622935  1
  Al  Al126  1  0.253914  0.053739  0.572430  1
  Al  Al127  1  0.253914  0.672487  0.670972  1
  Al  Al128  1  0.253914  0.273154  0.697108  1
  Al  Al129  1  0.253914  0.889824  0.717882  1
  Al  Al130  1  0.753914  0.308969  0.720338  1
  Al  Al131  1  0.753914  0.104473  0.672894  1
  Al  Al132  1  0.753914  0.704661  0.697529  1
  Al  Al133  1  0.753914  0.612549  0.674495  1
  Al  Al134  1  0.753914  0.213059  0.700150  1
  Al  Al135  1  0.753914  0.830197  0.722026  1
  Al  Al136  1  0.753914  0.413309  0.676258  1
  Al  Al137  1  0.753914  0.020033  0.705532  1
  Al  Al138  1  0.753914  0.808842  0.651485  1
  Al  Al139  1  0.253914  0.592145  0.703655  1
  Al  Al140  1  0.253914  0.376811  0.650631  1
  Al  Al141  1  0.253914  0.985643  0.680440  1
  Al  Al142  1  0.253914  0.472903  0.672745  1
  Al  Al143  1  0.253914  0.081076  0.701715  1
  Al  Al144  1  0.253914  0.867142  0.647142  1
