# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.51844984
_cell_length_b   12.73252441
_cell_length_c   48.64497572
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm64 Al64'
_cell_volume   7134.22075408
_cell_formula_units_Z   64
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  0.495072  0.115404  0.374964  1
  Sm  Sm2  1  0.496658  0.520794  0.314957  1
  Sm  Sm3  1  0.169380  0.068035  0.350758  1
  Sm  Sm4  1  0.193859  0.475006  0.292249  1
  Sm  Sm5  1  0.992281  1.004712  0.293507  1
  Sm  Sm6  1  0.997113  0.596419  0.354427  1
  Sm  Sm7  1  0.671239  0.053627  0.319239  1
  Sm  Sm8  1  0.719909  0.485248  0.262799  1
  Sm  Sm9  1  0.332412  0.868818  0.377790  1
  Sm  Sm10  1  0.334407  0.269701  0.327480  1
  Sm  Sm11  1  0.007272  0.715842  0.287092  1
  Sm  Sm12  1  0.019261  0.317826  0.347004  1
  Sm  Sm13  1  0.834460  0.845581  0.350976  1
  Sm  Sm14  1  0.829850  0.256011  0.292179  1
  Sm  Sm15  1  0.513035  0.805016  0.324301  1
  Sm  Sm16  1  0.489355  0.241031  0.268793  1
  Sm  Sm17  1  0.492414  0.321602  0.484676  1
  Sm  Sm18  1  0.490922  0.717869  0.429516  1
  Sm  Sm19  1  0.172410  0.274583  0.460734  1
  Sm  Sm20  1  0.173945  0.670410  0.406077  1
  Sm  Sm21  1  0.990181  0.188700  0.409746  1
  Sm  Sm22  1  0.991853  0.792136  0.465834  1
  Sm  Sm23  1  0.673212  0.237774  0.433603  1
  Sm  Sm24  1  0.671600  0.640356  0.378439  1
  Sm  Sm25  1  0.339122  0.075346  0.488968  1
  Sm  Sm26  1  0.340313  0.473768  0.433427  1
  Sm  Sm27  1  0.018536  0.915638  0.401986  1
  Sm  Sm28  1  0.018567  0.520593  0.457255  1
  Sm  Sm29  1  0.839235  0.038169  0.461438  1
  Sm  Sm30  1  0.839898  0.438061  0.405708  1
  Sm  Sm31  1  0.518226  0.990273  0.437935  1
  Sm  Sm32  1  0.520173  0.394907  0.382254  1
  Sm  Sm33  1  0.491068  0.519959  0.595811  1
  Sm  Sm34  1  0.493015  0.924593  0.540130  1
  Sm  Sm35  1  0.171344  0.476805  0.572357  1
  Sm  Sm36  1  0.172006  0.876697  0.516627  1
  Sm  Sm37  1  0.992675  0.394273  0.520810  1
  Sm  Sm38  1  0.992705  0.999228  0.576079  1
  Sm  Sm39  1  0.670929  0.441099  0.544638  1
  Sm  Sm40  1  0.672119  0.839520  0.489097  1
  Sm  Sm41  1  0.339641  0.274510  0.599625  1
  Sm  Sm42  1  0.338030  0.677092  0.544462  1
  Sm  Sm43  1  0.019389  0.122730  0.512230  1
  Sm  Sm44  1  0.021061  0.726166  0.568318  1
  Sm  Sm45  1  0.837296  0.244456  0.571988  1
  Sm  Sm46  1  0.838832  0.640283  0.517331  1
  Sm  Sm47  1  0.520320  0.196997  0.548549  1
  Sm  Sm48  1  0.518828  0.593264  0.493389  1
  Sm  Sm49  1  0.521887  0.673835  0.709271  1
  Sm  Sm50  1  0.498206  0.109850  0.653764  1
  Sm  Sm51  1  0.181391  0.658855  0.685885  1
  Sm  Sm52  1  0.176781  0.069285  0.627089  1
  Sm  Sm53  1  0.991980  0.597040  0.631061  1
  Sm  Sm54  1  1.003970  0.199024  0.690973  1
  Sm  Sm55  1  0.676835  0.645165  0.650585  1
  Sm  Sm56  1  0.678830  0.046048  0.600275  1
  Sm  Sm57  1  0.291333  0.429618  0.715266  1
  Sm  Sm58  1  0.340002  0.861239  0.658826  1
  Sm  Sm59  1  0.014129  0.318447  0.623638  1
  Sm  Sm60  1  0.018961  0.910154  0.684558  1
  Sm  Sm61  1  0.817383  0.439860  0.685816  1
  Sm  Sm62  1  0.841862  0.846831  0.627307  1
  Sm  Sm63  1  0.514583  0.394072  0.663108  1
  Sm  Sm64  1  0.516169  0.799462  0.603100  1
  Al  Al65  1  0.248167  0.876833  0.306587  1
  Al  Al66  1  0.254917  0.473173  0.360018  1
  Al  Al67  1  0.761238  0.844990  0.289382  1
  Al  Al68  1  0.758135  0.444001  0.340145  1
  Al  Al69  1  0.409039  0.030354  0.320244  1
  Al  Al70  1  0.409230  0.627298  0.373147  1
  Al  Al71  1  0.906356  0.087525  0.351158  1
  Al  Al72  1  0.928860  0.482085  0.301331  1
  Al  Al73  1  0.254591  0.673829  0.332029  1
  Al  Al74  1  0.255469  0.083703  0.282907  1
  Al  Al75  1  0.757184  0.644493  0.315574  1
  Al  Al76  1  0.753864  0.241465  0.367216  1
  Al  Al77  1  0.094850  0.826100  0.345291  1
  Al  Al78  1  0.104126  0.237963  0.292129  1
  Al  Al79  1  0.598119  0.694764  0.273025  1
  Al  Al80  1  0.599957  0.292502  0.325813  1
  Al  Al81  1  0.254585  0.069486  0.415991  1
  Al  Al82  1  0.253817  0.672084  0.471614  1
  Al  Al83  1  0.756847  0.040174  0.395087  1
  Al  Al84  1  0.757195  0.641286  0.451471  1
  Al  Al85  1  0.408117  0.223907  0.430798  1
  Al  Al86  1  0.406552  0.825793  0.486258  1
  Al  Al87  1  0.907334  0.288099  0.463963  1
  Al  Al88  1  0.906938  0.686387  0.408916  1
  Al  Al89  1  0.256663  0.870588  0.443761  1
  Al  Al90  1  0.255636  0.270309  0.389578  1
  Al  Al91  1  0.752789  0.840512  0.423316  1
  Al  Al92  1  0.754837  0.441763  0.479192  1
  Al  Al93  1  0.104638  0.024935  0.458275  1
  Al  Al94  1  0.104422  0.425577  0.402790  1
  Al  Al95  1  0.598844  0.885424  0.380859  1
  Al  Al96  1  0.606053  0.486945  0.436817  1
  Al  Al97  1  0.254046  0.273580  0.526594  1
  Al  Al98  1  0.254394  0.874692  0.582978  1
  Al  Al99  1  0.757424  0.242782  0.506451  1
  Al  Al100  1  0.756656  0.845380  0.562074  1
  Al  Al101  1  0.405189  0.427922  0.541248  1
  Al  Al102  1  0.412397  0.029442  0.597206  1
  Al  Al103  1  0.906819  0.489289  0.575275  1
  Al  Al104  1  0.906603  0.889931  0.519790  1
  Al  Al105  1  0.258452  0.074354  0.554749  1
  Al  Al106  1  0.256404  0.473103  0.498873  1
  Al  Al107  1  0.754578  0.044278  0.534304  1
  Al  Al108  1  0.755605  0.644557  0.588487  1
  Al  Al109  1  0.104304  0.228479  0.569149  1
  Al  Al110  1  0.103907  0.626767  0.514102  1
  Al  Al111  1  0.604690  0.089073  0.491807  1
  Al  Al112  1  0.603125  0.690960  0.547267  1
  Al  Al113  1  0.253106  0.470865  0.637920  1
  Al  Al114  1  0.250004  0.069876  0.688683  1
  Al  Al115  1  0.756324  0.441693  0.618047  1
  Al  Al116  1  0.763074  0.038033  0.671478  1
  Al  Al117  1  0.411284  0.622364  0.652252  1
  Al  Al118  1  0.413122  0.220102  0.705040  1
  Al  Al119  1  0.907115  0.676903  0.685936  1
  Al  Al120  1  0.916391  0.088766  0.632774  1
  Al  Al121  1  0.254057  0.270373  0.662491  1
  Al  Al122  1  0.257377  0.673401  0.610849  1
  Al  Al123  1  0.756650  0.241037  0.646036  1
  Al  Al124  1  0.755773  0.831163  0.695157  1
  Al  Al125  1  0.082381  0.432781  0.676734  1
  Al  Al126  1  0.104885  0.827341  0.626907  1
  Al  Al127  1  0.602011  0.287568  0.604917  1
  Al  Al128  1  0.602202  0.884512  0.657821  1
