# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.85746878
_cell_length_b   13.03506478
_cell_length_c   53.20230438
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.05546420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm80 Al80'
_cell_volume   8719.94881657
_cell_formula_units_Z   80
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  0.621027  0.008990  0.276026  1
  Sm  Sm2  1  0.284116  0.921122  0.314504  1
  Sm  Sm3  1  0.771532  0.226396  0.323965  1
  Sm  Sm4  1  0.202385  0.307994  0.276766  1
  Sm  Sm5  1  0.699166  0.475134  0.288625  1
  Sm  Sm6  1  0.281223  0.379845  0.337809  1
  Sm  Sm7  1  0.727198  0.771309  0.296936  1
  Sm  Sm8  1  0.298877  0.685039  0.345834  1
  Sm  Sm9  1  0.936087  0.116230  0.284432  1
  Sm  Sm10  1  0.529642  0.045228  0.335089  1
  Sm  Sm11  1  0.968030  0.437467  0.290792  1
  Sm  Sm12  1  0.547940  0.350640  0.342370  1
  Sm  Sm13  1  0.057604  0.498412  0.352811  1
  Sm  Sm14  1  0.469854  0.581866  0.306000  1
  Sm  Sm15  1  1.003587  0.894904  0.309333  1
  Sm  Sm16  1  0.574291  0.815854  0.355327  1
  Sm  Sm17  1  0.844997  0.825786  0.364323  1
  Sm  Sm18  1  0.429065  0.739295  0.411113  1
  Sm  Sm19  1  0.936538  0.051324  0.413832  1
  Sm  Sm20  1  0.348168  0.139196  0.370554  1
  Sm  Sm21  1  0.866241  0.294668  0.381446  1
  Sm  Sm22  1  0.457265  0.209584  0.427144  1
  Sm  Sm23  1  0.883357  0.596326  0.390935  1
  Sm  Sm24  1  0.472505  0.512773  0.436613  1
  Sm  Sm25  1  0.117446  0.956097  0.375333  1
  Sm  Sm26  1  0.701479  0.871516  0.421816  1
  Sm  Sm27  1  0.125805  0.256577  0.385565  1
  Sm  Sm28  1  0.718474  0.172273  0.432327  1
  Sm  Sm29  1  0.236615  0.328521  0.443410  1
  Sm  Sm30  1  0.650158  0.417823  0.399205  1
  Sm  Sm31  1  0.155710  0.727243  0.402999  1
  Sm  Sm32  1  0.742632  0.645009  0.447102  1
  Sm  Sm33  1  0.012674  0.651587  0.457364  1
  Sm  Sm34  1  0.600884  0.567190  0.502575  1
  Sm  Sm35  1  0.108252  0.879997  0.505482  1
  Sm  Sm36  1  0.522628  0.966243  0.460114  1
  Sm  Sm37  1  0.040781  0.122926  0.472194  1
  Sm  Sm38  1  0.628613  0.037981  0.518111  1
  Sm  Sm39  1  0.059389  0.424209  0.481780  1
  Sm  Sm40  1  0.644937  0.340031  0.527515  1
  Sm  Sm41  1  0.286309  0.784608  0.467787  1
  Sm  Sm42  1  0.871858  0.700431  0.513522  1
  Sm  Sm43  1  0.302633  0.086658  0.477191  1
  Sm  Sm44  1  0.890465  1.001713  0.523109  1
  Sm  Sm45  1  0.408618  0.158396  0.535188  1
  Sm  Sm46  1  0.822995  0.244643  0.489820  1
  Sm  Sm47  1  0.330362  0.557449  0.492728  1
  Sm  Sm48  1  0.918573  0.473053  0.537938  1
  Sm  Sm49  1  0.188614  0.479630  0.548201  1
  Sm  Sm50  1  0.775537  0.397396  0.592303  1
  Sm  Sm51  1  0.281088  0.706816  0.596098  1
  Sm  Sm52  1  0.694631  0.796118  0.551893  1
  Sm  Sm53  1  0.212772  0.952366  0.562976  1
  Sm  Sm54  1  0.805441  0.868062  0.609737  1
  Sm  Sm55  1  0.229767  0.253123  0.573486  1
  Sm  Sm56  1  0.813800  0.168542  0.619970  1
  Sm  Sm57  1  0.458741  0.611867  0.558690  1
  Sm  Sm58  1  0.047889  0.528313  0.604368  1
  Sm  Sm59  1  0.473981  0.915055  0.568159  1
  Sm  Sm60  1  0.065005  0.829971  0.613856  1
  Sm  Sm61  1  0.583078  0.985444  0.624748  1
  Sm  Sm62  1  0.994708  0.073315  0.581471  1
  Sm  Sm63  1  0.502182  0.385344  0.584190  1
  Sm  Sm64  1  0.086249  0.298853  0.630979  1
  Sm  Sm65  1  0.356955  0.308785  0.639975  1
  Sm  Sm66  1  0.927659  0.229735  0.685970  1
  Sm  Sm67  1  0.461392  0.542773  0.689303  1
  Sm  Sm68  1  0.873642  0.626228  0.642491  1
  Sm  Sm69  1  0.383306  0.773999  0.652932  1
  Sm  Sm70  1  0.963216  0.687172  0.704511  1
  Sm  Sm71  1  0.401604  0.079412  0.660213  1
  Sm  Sm72  1  0.995159  0.008410  0.710870  1
  Sm  Sm73  1  0.632369  0.439601  0.649468  1
  Sm  Sm74  1  0.204048  0.353331  0.698366  1
  Sm  Sm75  1  0.650023  0.744794  0.657493  1
  Sm  Sm76  1  0.232080  0.649505  0.706678  1
  Sm  Sm77  1  0.728861  0.816645  0.718536  1
  Sm  Sm78  1  0.159714  0.898243  0.671337  1
  Sm  Sm79  1  0.647130  0.203518  0.680799  1
  Sm  Sm80  1  0.310219  0.115650  0.719276  1
  Al  Al81  1  0.943654  0.084134  0.350701  1
  Al  Al82  1  0.358787  0.176424  0.311227  1
  Al  Al83  1  0.889396  0.639917  0.324000  1
  Al  Al84  1  0.302354  0.717398  0.283622  1
  Al  Al85  1  0.765769  0.981406  0.324673  1
  Al  Al86  1  0.181574  0.066812  0.280950  1
  Al  Al87  1  0.801509  0.451161  0.343701  1
  Al  Al88  1  0.209250  0.526929  0.301526  1
  Al  Al89  1  0.150247  0.127896  0.329312  1
  Al  Al90  1  0.571516  0.223814  0.291556  1
  Al  Al91  1  0.099547  0.682647  0.304066  1
  Al  Al92  1  0.678865  0.600713  0.345103  1
  Al  Al93  1  0.030619  0.278316  0.329010  1
  Al  Al94  1  0.444447  0.359992  0.287906  1
  Al  Al95  1  0.063858  0.742097  0.350760  1
  Al  Al96  1  0.484644  0.823609  0.303789  1
  Al  Al97  1  0.114093  0.913132  0.443713  1
  Al  Al98  1  0.528676  0.998601  0.398556  1
  Al  Al99  1  0.056452  0.467675  0.414844  1
  Al  Al100  1  0.471170  0.556317  0.368579  1
  Al  Al101  1  0.939904  0.811066  0.417239  1
  Al  Al102  1  0.350417  0.897061  0.371461  1
  Al  Al103  1  0.972467  0.276451  0.435656  1
  Al  Al104  1  0.386888  0.365354  0.391074  1
  Al  Al105  1  0.321218  0.955440  0.420801  1
  Al  Al106  1  0.737768  0.042000  0.374569  1
  Al  Al107  1  0.262896  0.512186  0.392157  1
  Al  Al108  1  0.850541  0.425522  0.437884  1
  Al  Al109  1  0.197782  0.103711  0.422636  1
  Al  Al110  1  0.615793  0.193169  0.378576  1
  Al  Al111  1  0.232323  0.569780  0.440818  1
  Al  Al112  1  0.647464  0.658405  0.394236  1
  Al  Al113  1  0.287457  0.742100  0.534760  1
  Al  Al114  1  0.700996  0.828351  0.489675  1
  Al  Al115  1  0.230251  0.296289  0.505628  1
  Al  Al116  1  0.643789  0.382539  0.460542  1
  Al  Al117  1  0.112912  0.638306  0.509023  1
  Al  Al118  1  0.526247  0.726186  0.463510  1
  Al  Al119  1  0.144859  0.106199  0.526757  1
  Al  Al120  1  0.559023  0.191176  0.481564  1
  Al  Al121  1  0.494272  0.784652  0.512150  1
  Al  Al122  1  0.907561  0.869920  0.466284  1
  Al  Al123  1  0.436975  0.339987  0.483152  1
  Al  Al124  1  0.023685  0.254719  0.529019  1
  Al  Al125  1  0.372224  0.933463  0.513739  1
  Al  Al126  1  0.786387  0.018441  0.468546  1
  Al  Al127  1  0.405000  0.398453  0.531792  1
  Al  Al128  1  0.818334  0.486333  0.486279  1
  Al  Al129  1  0.460077  0.568323  0.626724  1
  Al  Al130  1  0.874794  0.656964  0.580458  1
  Al  Al131  1  0.402570  0.126038  0.596747  1
  Al  Al132  1  0.817153  0.211507  0.551590  1
  Al  Al133  1  0.283782  0.466235  0.601067  1
  Al  Al134  1  0.698923  0.554860  0.554484  1
  Al  Al135  1  0.315453  0.931470  0.616727  1
  Al  Al136  1  0.733465  0.020928  0.572666  1
  Al  Al137  1  0.668350  0.612454  0.603146  1
  Al  Al138  1  0.080705  0.699117  0.557418  1
  Al  Al139  1  0.610028  0.169199  0.574501  1
  Al  Al140  1  0.193478  0.082640  0.620733  1
  Al  Al141  1  0.544359  0.759285  0.604228  1
  Al  Al142  1  0.958779  0.848189  0.559646  1
  Al  Al143  1  0.580829  0.227579  0.623841  1
  Al  Al144  1  0.991342  0.313573  0.578063  1
  Al  Al145  1  0.628893  0.407241  0.711680  1
  Al  Al146  1  0.041850  0.484722  0.671302  1
  Al  Al147  1  0.572459  0.948215  0.684076  1
  Al  Al148  1  0.987592  0.040505  0.644601  1
  Al  Al149  1  0.446603  0.301030  0.691513  1
  Al  Al150  1  0.867388  0.382542  0.644542  1
  Al  Al151  1  0.486799  0.764647  0.707396  1
  Al  Al152  1  0.900628  0.846323  0.666293  1
  Al  Al153  1  0.831699  0.441993  0.691236  1
  Al  Al154  1  0.252382  0.523926  0.650199  1
  Al  Al155  1  0.780999  0.996743  0.665990  1
  Al  Al156  1  0.359730  0.900825  0.703746  1
  Al  Al157  1  0.721997  0.597710  0.693776  1
  Al  Al158  1  0.129737  0.673479  0.651601  1
  Al  Al159  1  0.749672  0.057827  0.714352  1
  Al  Al160  1  0.165477  0.143234  0.670630  1
