# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33351030
_cell_length_b   17.42956671
_cell_length_c   49.50019693
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.49986400
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm30 Al90'
_cell_volume   5372.84500912
_cell_formula_units_Z   30
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  0.366427  0.724579  0.344241  1
  Sm  Sm2  1  0.675549  0.342928  0.284064  1
  Sm  Sm3  1  0.019551  0.030953  0.312940  1
  Sm  Sm4  1  0.898778  0.789861  0.288534  1
  Sm  Sm5  1  0.242528  0.477160  0.315678  1
  Sm  Sm6  1  0.589581  0.171342  0.350054  1
  Sm  Sm7  1  0.401722  0.795111  0.433343  1
  Sm  Sm8  1  0.711226  0.414175  0.371584  1
  Sm  Sm9  1  0.056696  0.105115  0.403072  1
  Sm  Sm10  1  0.934261  0.860708  0.376976  1
  Sm  Sm11  1  0.280563  0.553240  0.408187  1
  Sm  Sm12  1  0.625792  0.243680  0.438312  1
  Sm  Sm13  1  0.438539  0.868649  0.523776  1
  Sm  Sm14  1  0.747501  0.486638  0.463771  1
  Sm  Sm15  1  0.093216  0.178048  0.494091  1
  Sm  Sm16  1  0.971282  0.934654  0.469246  1
  Sm  Sm17  1  0.316605  0.625254  0.498932  1
  Sm  Sm18  1  0.662319  0.316664  0.529252  1
  Sm  Sm19  1  0.475560  0.942594  0.616047  1
  Sm  Sm20  1  0.784029  0.559623  0.554710  1
  Sm  Sm21  1  0.129258  0.250062  0.584835  1
  Sm  Sm22  1  0.008098  0.008191  0.559679  1
  Sm  Sm23  1  0.353124  0.698187  0.589950  1
  Sm  Sm24  1  0.698594  0.389128  0.621438  1
  Sm  Sm25  1  0.511043  0.013442  0.704488  1
  Sm  Sm26  1  0.820240  0.631960  0.642968  1
  Sm  Sm27  1  0.167293  0.326143  0.677344  1
  Sm  Sm28  1  0.043393  0.078724  0.648782  1
  Sm  Sm29  1  0.390270  0.772350  0.680082  1
  Sm  Sm30  1  0.734271  0.460374  0.708958  1
  Al  Al31  1  0.398026  0.788434  0.286023  1
  Al  Al32  1  0.754742  0.501509  0.314683  1
  Al  Al33  1  0.094378  0.180941  0.345787  1
  Al  Al34  1  0.230760  0.885077  0.326668  1
  Al  Al35  1  0.558550  0.572044  0.356357  1
  Al  Al36  1  0.836500  0.180452  0.295813  1
  Al  Al37  1  0.662200  0.885130  0.326661  1
  Al  Al38  1  0.021551  0.572098  0.356346  1
  Al  Al39  1  0.351938  0.180496  0.295810  1
  Al  Al40  1  0.857512  0.706756  0.343306  1
  Al  Al41  1  0.159582  0.311114  0.284971  1
  Al  Al42  1  0.519879  0.031631  0.310291  1
  Al  Al43  1  0.065984  0.633339  0.300813  1
  Al  Al44  1  0.384854  0.316007  0.333396  1
  Al  Al45  1  0.687396  0.935178  0.273101  1
  Al  Al46  1  0.575474  0.633259  0.300833  1
  Al  Al47  1  0.939216  0.315968  0.333403  1
  Al  Al48  1  0.255819  0.935178  0.273111  1
  Al  Al49  1  0.441384  0.874942  0.377311  1
  Al  Al50  1  0.784512  0.561126  0.406884  1
  Al  Al51  1  0.131688  0.255458  0.437613  1
  Al  Al52  1  0.249632  0.953565  0.417932  1
  Al  Al53  1  0.603133  0.646036  0.448052  1
  Al  Al54  1  0.916894  0.266731  0.387797  1
  Al  Al55  1  0.711965  0.953625  0.417924  1
  Al  Al56  1  0.050979  0.646096  0.448044  1
  Al  Al57  1  0.357864  0.266783  0.387790  1
  Al  Al58  1  0.897430  0.786534  0.434127  1
  Al  Al59  1  0.207272  0.406274  0.372917  1
  Al  Al60  1  0.549202  0.090159  0.405144  1
  Al  Al61  1  0.075652  0.700613  0.393831  1
  Al  Al62  1  0.429097  0.394556  0.423324  1
  Al  Al63  1  0.733072  0.011702  0.363124  1
  Al  Al64  1  0.633109  0.700558  0.393840  1
  Al  Al65  1  0.973611  0.394498  0.423332  1
  Al  Al66  1  0.286671  0.011642  0.363133  1
  Al  Al67  1  0.476897  0.945872  0.467486  1
  Al  Al68  1  0.822060  0.636149  0.498179  1
  Al  Al69  1  0.167910  0.327834  0.528551  1
  Al  Al70  1  0.293768  0.028592  0.508762  1
  Al  Al71  1  0.636413  0.719276  0.538806  1
  Al  Al72  1  0.946964  0.337376  0.478255  1
  Al  Al73  1  0.742948  0.028652  0.508754  1
  Al  Al74  1  0.091030  0.719331  0.538798  1
  Al  Al75  1  0.398513  0.337432  0.478247  1
  Al  Al76  1  0.932924  0.857431  0.525536  1
  Al  Al77  1  0.241910  0.475469  0.464472  1
  Al  Al78  1  0.587761  0.167154  0.494844  1
  Al  Al79  1  0.116052  0.774710  0.484260  1
  Al  Al80  1  0.462857  0.465926  0.514767  1
  Al  Al81  1  0.773408  0.084027  0.454216  1
  Al  Al82  1  0.666873  0.774650  0.484268  1
  Al  Al83  1  0.011308  0.465870  0.514776  1
  Al  Al84  1  0.318791  0.083971  0.454224  1
  Al  Al85  1  0.512390  0.016768  0.558895  1
  Al  Al86  1  0.860619  0.713143  0.587879  1
  Al  Al87  1  0.202548  0.397029  0.620106  1
  Al  Al88  1  0.334168  0.102689  0.599191  1
  Al  Al89  1  0.676748  0.791600  0.629898  1
  Al  Al90  1  0.980724  0.408747  0.569699  1
  Al  Al91  1  0.776711  0.102745  0.599182  1
  Al  Al92  1  0.123150  0.791660  0.629890  1
  Al  Al93  1  0.436210  0.408805  0.569690  1
  Al  Al94  1  0.968436  0.928360  0.615712  1
  Al  Al95  1  0.278132  0.547845  0.555409  1
  Al  Al96  1  0.625309  0.242176  0.586138  1
  Al  Al97  1  0.160189  0.849737  0.575091  1
  Al  Al98  1  0.492927  0.536571  0.605226  1
  Al  Al99  1  0.806688  0.157266  0.544970  1
  Al  Al100  1  0.697855  0.849678  0.575099  1
  Al  Al101  1  0.051956  0.536520  0.605233  1
  Al  Al102  1  0.358842  0.157207  0.544979  1
  Al  Al103  1  0.552309  0.096547  0.649716  1
  Al  Al104  1  0.889942  0.771672  0.682731  1
  Al  Al105  1  0.250238  0.492188  0.708051  1
  Al  Al106  1  0.343836  0.169964  0.692209  1
  Al  Al107  1  0.722424  0.868124  0.719921  1
  Al  Al108  1  0.024967  0.487296  0.659626  1
  Al  Al109  1  0.834347  0.170043  0.692190  1
  Al  Al110  1  0.154001  0.868124  0.719912  1
  Al  Al111  1  0.470605  0.487334  0.659620  1
  Al  Al112  1  0.011794  0.014869  0.706999  1
  Al  Al113  1  0.315442  0.622362  0.647235  1
  Al  Al114  1  0.655078  0.301793  0.678339  1
  Al  Al115  1  0.179061  0.918226  0.666355  1
  Al  Al116  1  0.573320  0.622850  0.697210  1
  Al  Al117  1  0.851270  0.231259  0.636665  1
  Al  Al118  1  0.747621  0.918172  0.666362  1
  Al  Al119  1  0.057883  0.622807  0.697212  1
  Al  Al120  1  0.388269  0.231205  0.636676  1
