# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.07491641
_cell_length_b   11.06084677
_cell_length_c   48.30711551
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm63 Al63'
_cell_volume   5887.8608338
_cell_formula_units_Z   63
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  0.099677  0.433909  0.244456  1
  Sm  Sm2  1  0.403136  0.992573  0.234983  1
  Sm  Sm3  1  0.405186  0.298072  0.263952  1
  Sm  Sm4  1  0.658522  0.737369  0.234991  1
  Sm  Sm5  1  0.708778  0.042727  0.268672  1
  Sm  Sm6  1  0.684691  0.324552  0.307420  1
  Sm  Sm7  1  0.963874  0.739378  0.263963  1
  Sm  Sm8  1  0.990539  0.018675  0.307455  1
  Sm  Sm9  1  0.347682  0.681669  0.262574  1
  Sm  Sm10  1  0.986286  0.320404  0.312938  1
  Sm  Sm11  1  0.294799  0.998986  0.309187  1
  Sm  Sm12  1  0.275641  0.293200  0.328737  1
  Sm  Sm13  1  0.664876  0.628767  0.309196  1
  Sm  Sm14  1  0.581412  0.915585  0.355871  1
  Sm  Sm15  1  0.550924  0.260664  0.375369  1
  Sm  Sm16  1  0.959361  0.609873  0.328744  1
  Sm  Sm17  1  0.926574  0.885180  0.375430  1
  Sm  Sm18  1  0.222577  0.556661  0.367945  1
  Sm  Sm19  1  0.854646  0.188816  0.388557  1
  Sm  Sm20  1  0.221292  0.851798  0.377361  1
  Sm  Sm21  1  0.121708  0.105825  0.425869  1
  Sm  Sm22  1  0.517697  0.555455  0.377355  1
  Sm  Sm23  1  0.475578  0.809684  0.413361  1
  Sm  Sm24  1  0.416753  0.090282  0.434590  1
  Sm  Sm25  1  0.771590  0.455984  0.425833  1
  Sm  Sm26  1  0.756006  0.751043  0.434602  1
  Sm  Sm27  1  0.079382  0.413462  0.437673  1
  Sm  Sm28  1  0.701000  0.035229  0.482099  1
  Sm  Sm29  1  0.056609  0.723343  0.447885  1
  Sm  Sm30  1  0.028339  0.997070  0.496448  1
  Sm  Sm31  1  0.389128  0.390710  0.447885  1
  Sm  Sm32  1  0.333171  0.667254  0.493112  1
  Sm  Sm33  1  0.315349  0.971482  0.507207  1
  Sm  Sm34  1  0.662421  0.362455  0.496436  1
  Sm  Sm35  1  0.637591  0.649609  0.507218  1
  Sm  Sm36  1  0.962400  0.296864  0.512411  1
  Sm  Sm37  1  0.579339  0.913670  0.538408  1
  Sm  Sm38  1  0.885082  0.562760  0.548898  1
  Sm  Sm39  1  0.863722  0.858868  0.557651  1
  Sm  Sm40  1  0.228218  0.219265  0.548921  1
  Sm  Sm41  1  0.188099  0.522438  0.559438  1
  Sm  Sm42  1  0.160362  0.829031  0.571214  1
  Sm  Sm43  1  0.524324  0.198196  0.557648  1
  Sm  Sm44  1  0.494547  0.494725  0.571199  1
  Sm  Sm45  1  0.823370  0.158041  0.604965  1
  Sm  Sm46  1  0.442798  0.777166  0.617769  1
  Sm  Sm47  1  0.769748  0.475557  0.621961  1
  Sm  Sm48  1  0.745805  0.769239  0.629812  1
  Sm  Sm49  1  0.141209  0.104384  0.621953  1
  Sm  Sm50  1  0.073357  0.407968  0.635276  1
  Sm  Sm51  1  0.986437  0.675339  0.669478  1
  Sm  Sm52  1  0.434716  0.080034  0.629805  1
  Sm  Sm53  1  0.340680  0.320878  0.669465  1
  Sm  Sm54  1  0.706616  0.041257  0.658768  1
  Sm  Sm55  1  0.282722  0.616971  0.682143  1
  Sm  Sm56  1  0.631580  0.311079  0.684226  1
  Sm  Sm57  1  0.601004  0.618184  0.691320  1
  Sm  Sm58  1  0.976365  0.966244  0.684253  1
  Sm  Sm59  1  0.920276  0.254767  0.733103  1
  Sm  Sm60  1  0.894790  0.633790  0.740068  1
  Sm  Sm61  1  0.283612  0.935472  0.691317  1
  Sm  Sm62  1  0.298855  0.229821  0.740012  1
  Sm  Sm63  1  0.557508  0.892238  0.742539  1
  Al  Al64  1  0.193866  0.527822  0.298746  1
  Al  Al65  1  0.517029  0.128235  0.315499  1
  Al  Al66  1  0.585205  0.489406  0.257779  1
  Al  Al67  1  0.794109  0.851085  0.315558  1
  Al  Al68  1  0.900881  0.234802  0.257951  1
  Al  Al69  1  0.835089  0.492573  0.266872  1
  Al  Al70  1  0.155381  0.919204  0.257803  1
  Al  Al71  1  0.158449  0.169253  0.266893  1
  Al  Al72  1  0.535009  0.869131  0.290804  1
  Al  Al73  1  0.035883  0.369919  0.375187  1
  Al  Al74  1  0.352002  0.079215  0.371665  1
  Al  Al75  1  0.437334  0.491643  0.315086  1
  Al  Al76  1  0.745254  0.686122  0.371664  1
  Al  Al77  1  0.755260  0.089322  0.337165  1
  Al  Al78  1  0.784525  0.440235  0.359734  1
  Al  Al79  1  0.157835  0.771362  0.315049  1
  Al  Al80  1  0.106150  0.118533  0.359771  1
  Al  Al81  1  0.399484  0.733567  0.329622  1
  Al  Al82  1  0.883159  0.217616  0.455845  1
  Al  Al83  1  0.258867  0.878469  0.449934  1
  Al  Al84  1  0.276216  0.300253  0.394040  1
  Al  Al85  1  0.544355  0.592926  0.449965  1
  Al  Al86  1  0.675251  0.009511  0.411602  1
  Al  Al87  1  0.640795  0.232954  0.438173  1
  Al  Al88  1  0.966157  0.610336  0.394040  1
  Al  Al89  1  0.898625  0.975112  0.438215  1
  Al  Al90  1  0.296934  0.631115  0.425497  1
  Al  Al91  1  0.785164  0.119760  0.538474  1
  Al  Al92  1  0.074317  0.722596  0.515377  1
  Al  Al93  1  0.210771  0.223188  0.481237  1
  Al  Al94  1  0.387906  0.408213  0.515378  1
  Al  Al95  1  0.519542  0.853840  0.472401  1
  Al  Al96  1  0.458331  0.185580  0.494572  1
  Al  Al97  1  0.888884  0.544869  0.481173  1
  Al  Al98  1  0.851802  0.792548  0.494566  1
  Al  Al99  1  0.145508  0.479994  0.496560  1
  Al  Al100  1  0.640458  0.975013  0.595263  1
  Al  Al101  1  0.994330  0.654383  0.603593  1
  Al  Al102  1  0.016217  0.078851  0.561126  1
  Al  Al103  1  0.319932  0.328729  0.603599  1
  Al  Al104  1  0.403340  0.737752  0.551508  1
  Al  Al105  1  0.359892  0.989544  0.574834  1
  Al  Al106  1  0.744248  0.351033  0.561082  1
  Al  Al107  1  0.655286  0.694103  0.574857  1
  Al  Al108  1  0.994615  0.329182  0.578771  1
  Al  Al109  1  0.532135  0.866764  0.673859  1
  Al  Al110  1  0.857574  0.457970  0.687616  1
  Al  Al111  1  0.959036  0.908541  0.618496  1
  Al  Al112  1  0.123192  0.192268  0.687600  1
  Al  Al113  1  0.254632  0.589047  0.618211  1
  Al  Al114  1  0.178156  0.825013  0.638766  1
  Al  Al115  1  0.573942  0.293299  0.618488  1
  Al  Al116  1  0.490498  0.512517  0.638774  1
  Al  Al117  1  0.899618  0.234253  0.663804  1
  Al  Al118  1  0.372239  0.706776  0.735650  1
  Al  Al119  1  0.690693  0.445013  0.738269  1
  Al  Al120  1  0.763659  0.823846  0.699281  1
  Al  Al121  1  0.110671  0.025120  0.738256  1
  Al  Al122  1  0.102121  0.437072  0.705683  1
  Al  Al123  1  0.118462  0.773058  0.724967  1
  Al  Al124  1  0.489146  0.098368  0.699280  1
  Al  Al125  1  0.439113  0.452837  0.724991  1
  Al  Al126  1  0.735727  0.070706  0.721024  1
