# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88350543
_cell_length_b   20.09165122
_cell_length_c   53.81483323
_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   'Sm90 Al30'
_cell_volume   7442.64472636
_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  0.824305  0.332661  0.323957  1
  Sm  Sm2  1  0.177756  0.711522  0.290093  1
  Sm  Sm3  1  0.411298  0.981053  0.363507  1
  Sm  Sm4  1  0.318611  0.334053  0.310759  1
  Sm  Sm5  1  0.675805  0.785239  0.260930  1
  Sm  Sm6  1  0.896017  0.953308  0.338951  1
  Sm  Sm7  1  0.625139  0.407527  0.262893  1
  Sm  Sm8  1  0.382549  0.610635  0.342010  1
  Sm  Sm9  1  0.173545  0.033519  0.289841  1
  Sm  Sm10  1  0.353020  0.176353  0.324292  1
  Sm  Sm11  1  0.693026  0.601705  0.286279  1
  Sm  Sm12  1  0.185830  0.875121  0.251844  1
  Sm  Sm13  1  0.859957  0.160216  0.310219  1
  Sm  Sm14  1  0.221231  0.536090  0.267035  1
  Sm  Sm15  1  0.699856  0.974846  0.269047  1
  Sm  Sm16  1  0.108421  0.242536  0.262287  1
  Sm  Sm17  1  0.036360  0.487228  0.319815  1
  Sm  Sm18  1  0.413191  0.884983  0.313248  1
  Sm  Sm19  1  0.302090  0.105099  0.404222  1
  Sm  Sm20  1  0.731282  0.522780  0.364086  1
  Sm  Sm21  1  0.634053  0.752099  0.448325  1
  Sm  Sm22  1  0.876128  0.188713  0.433504  1
  Sm  Sm23  1  0.160627  0.556544  0.390527  1
  Sm  Sm24  1  0.118214  0.801058  0.427233  1
  Sm  Sm25  1  0.080313  0.241332  0.373917  1
  Sm  Sm26  1  0.999088  0.486746  0.442832  1
  Sm  Sm27  1  0.640182  0.837750  0.387595  1
  Sm  Sm28  1  0.863744  1.004550  0.406491  1
  Sm  Sm29  1  0.300359  0.407342  0.370754  1
  Sm  Sm30  1  0.665113  0.751120  0.330346  1
  Sm  Sm31  1  0.375127  0.942122  0.431954  1
  Sm  Sm32  1  0.807222  0.380697  0.393135  1
  Sm  Sm33  1  0.159571  0.776003  0.353791  1
  Sm  Sm34  1  0.701307  0.139193  0.370706  1
  Sm  Sm35  1  0.471231  0.263046  0.415908  1
  Sm  Sm36  1  0.857159  0.681881  0.392156  1
  Sm  Sm37  1  0.824930  0.985105  0.529940  1
  Sm  Sm38  1  0.163060  0.332707  0.486690  1
  Sm  Sm39  1  0.126309  0.596257  0.520138  1
  Sm  Sm40  1  0.309149  0.966788  0.504864  1
  Sm  Sm41  1  0.675902  0.364702  0.460315  1
  Sm  Sm42  1  0.633308  0.538328  0.548581  1
  Sm  Sm43  1  0.617299  0.065848  0.465360  1
  Sm  Sm44  1  0.346940  0.229787  0.551132  1
  Sm  Sm45  1  0.713678  0.609288  0.481918  1
  Sm  Sm46  1  0.037807  0.784699  0.507172  1
  Sm  Sm47  1  0.693870  0.223250  0.494837  1
  Sm  Sm48  1  0.166807  0.647090  0.453311  1
  Sm  Sm49  1  0.588127  0.826566  0.526330  1
  Sm  Sm50  1  0.294117  0.189168  0.464598  1
  Sm  Sm51  1  0.583210  0.555718  0.422416  1
  Sm  Sm52  1  0.846778  0.913780  0.466246  1
  Sm  Sm53  1  0.071228  0.120731  0.508540  1
  Sm  Sm54  1  0.391223  0.487011  0.484756  1
  Sm  Sm55  1  0.302580  0.726134  0.621060  1
  Sm  Sm56  1  0.803154  0.155163  0.562522  1
  Sm  Sm57  1  0.693316  0.325922  0.642875  1
  Sm  Sm58  1  0.845695  0.710400  0.584796  1
  Sm  Sm59  1  0.519505  0.178279  0.618680  1
  Sm  Sm60  1  0.214476  0.318182  0.660025  1
  Sm  Sm61  1  0.085891  0.872942  0.568552  1
  Sm  Sm62  1  0.299654  0.981654  0.630130  1
  Sm  Sm63  1  0.439129  0.411902  0.600695  1
  Sm  Sm64  1  0.595724  0.568695  0.618718  1
  Sm  Sm65  1  0.278997  0.058930  0.570788  1
  Sm  Sm66  1  0.641822  0.366629  0.533447  1
  Sm  Sm67  1  0.139338  0.560916  0.588037  1
  Sm  Sm68  1  0.803320  0.008378  0.605003  1
  Sm  Sm69  1  0.150485  0.423121  0.544507  1
  Sm  Sm70  1  0.352749  0.706736  0.560458  1
  Sm  Sm71  1  0.580611  0.852263  0.604034  1
  Sm  Sm72  1  0.067129  0.313701  0.594859  1
  Sm  Sm73  1  0.793301  0.572272  0.692087  1
  Sm  Sm74  1  0.300806  0.984962  0.698822  1
  Sm  Sm75  1  0.188372  0.111084  0.745190  1
  Sm  Sm76  1  0.295137  0.458283  0.707653  1
  Sm  Sm77  1  0.789113  0.914034  0.669064  1
  Sm  Sm78  1  0.675846  0.212093  0.745543  1
  Sm  Sm79  1  0.302140  0.620714  0.673710  1
  Sm  Sm80  1  0.554574  0.850379  0.729348  1
  Sm  Sm81  1  0.852099  0.196417  0.684910  1
  Sm  Sm82  1  0.178036  0.289915  0.734347  1
  Sm  Sm83  1  0.790631  0.740751  0.659574  1
  Sm  Sm84  1  0.339747  0.152779  0.684262  1
  Sm  Sm85  1  0.801491  0.390119  0.704923  1
  Sm  Sm86  1  0.297359  0.824039  0.672170  1
  Sm  Sm87  1  0.026105  0.164298  0.623271  1
  Sm  Sm88  1  0.024947  0.467351  0.643188  1
  Sm  Sm89  1  0.037621  0.734509  0.720849  1
  Sm  Sm90  1  0.767186  0.038029  0.718862  1
  Al  Al91  1  0.605868  0.251618  0.277978  1
  Al  Al92  1  0.522256  0.472728  0.315290  1
  Al  Al93  1  0.950850  0.848846  0.300600  1
  Al  Al94  1  0.065437  0.393429  0.271886  1
  Al  Al95  1  0.945710  0.635861  0.336072  1
  Al  Al96  1  0.578440  0.045611  0.317345  1
  Al  Al97  1  0.090057  0.083933  0.353048  1
  Al  Al98  1  0.087263  0.325977  0.430125  1
  Al  Al99  1  0.385517  0.695661  0.397071  1
  Al  Al100  1  0.536259  0.278669  0.360272  1
  Al  Al101  1  0.373054  0.419927  0.426453  1
  Al  Al102  1  0.105950  0.894969  0.385297  1
  Al  Al103  1  0.357362  0.840414  0.475264  1
  Al  Al104  1  0.518659  0.101241  0.521224  1
  Al  Al105  1  0.882605  0.466859  0.499766  1
  Al  Al106  1  0.103646  0.049171  0.455651  1
  Al  Al107  1  0.968886  0.275137  0.535720  1
  Al  Al108  1  0.407259  0.706526  0.498960  1
  Al  Al109  1  0.742428  0.682201  0.530875  1
  Al  Al110  1  0.019168  0.851697  0.624308  1
  Al  Al111  1  0.654667  0.289702  0.584645  1
  Al  Al112  1  0.501121  0.939504  0.561873  1
  Al  Al113  1  0.627597  0.062780  0.658779  1
  Al  Al114  1  0.846656  0.441949  0.587899  1
  Al  Al115  1  0.521379  0.462855  0.658988  1
  Al  Al116  1  0.545780  0.710569  0.707423  1
  Al  Al117  1  0.004352  0.054667  0.664481  1
  Al  Al118  1  0.978192  0.621395  0.636009  1
  Al  Al119  1  0.009074  0.886527  0.718658  1
  Al  Al120  1  0.510145  0.288996  0.697998  1
