# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75184488
_cell_length_b   23.86281689
_cell_length_c   51.98236085
_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   7134.85043271
_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  0.250494  0.055640  0.341260  1
  Sm  Sm2  1  0.250494  0.593847  0.285185  1
  Sm  Sm3  1  0.250494  0.914932  0.298735  1
  Sm  Sm4  1  0.250494  0.389914  0.353641  1
  Sm  Sm5  1  0.250494  0.344184  0.290889  1
  Sm  Sm6  1  0.250494  0.802853  0.350619  1
  Sm  Sm7  1  0.250494  0.164463  0.299396  1
  Sm  Sm8  1  0.250494  0.638635  0.360017  1
  Sm  Sm9  1  0.750494  1.003670  0.304991  1
  Sm  Sm10  1  0.750494  0.469827  0.364968  1
  Sm  Sm11  1  0.750494  0.830986  0.311266  1
  Sm  Sm12  1  0.750494  0.306763  0.370101  1
  Sm  Sm13  1  0.750494  0.251195  0.310255  1
  Sm  Sm14  1  0.750494  0.718309  0.368257  1
  Sm  Sm15  1  0.750494  0.050735  0.377630  1
  Sm  Sm16  1  0.750494  0.583007  0.324044  1
  Sm  Sm17  1  0.250494  0.998155  0.450917  1
  Sm  Sm18  1  0.250494  0.526265  0.398103  1
  Sm  Sm19  1  0.250494  0.860042  0.409656  1
  Sm  Sm20  1  0.250494  0.328860  0.465667  1
  Sm  Sm21  1  0.250494  0.272050  0.404355  1
  Sm  Sm22  1  0.250494  0.742293  0.462009  1
  Sm  Sm23  1  0.250494  0.109456  0.410474  1
  Sm  Sm24  1  0.250494  0.577919  0.468807  1
  Sm  Sm25  1  0.750494  0.939058  0.417830  1
  Sm  Sm26  1  0.750494  0.407101  0.476098  1
  Sm  Sm27  1  0.750494  0.776521  0.425615  1
  Sm  Sm28  1  0.750494  0.244668  0.481549  1
  Sm  Sm29  1  0.750494  0.187867  0.420398  1
  Sm  Sm30  1  0.750494  0.656694  0.477338  1
  Sm  Sm31  1  0.750494  0.990369  0.489575  1
  Sm  Sm32  1  0.750494  0.518942  0.436218  1
  Sm  Sm33  1  0.250494  0.937388  0.561989  1
  Sm  Sm34  1  0.250494  0.465961  0.508632  1
  Sm  Sm35  1  0.250494  0.799636  0.520869  1
  Sm  Sm36  1  0.250494  0.268463  0.577809  1
  Sm  Sm37  1  0.250494  0.211662  0.516658  1
  Sm  Sm38  1  0.250494  0.679810  0.572592  1
  Sm  Sm39  1  0.250494  0.049229  0.522109  1
  Sm  Sm40  1  0.250494  0.517273  0.580377  1
  Sm  Sm41  1  0.750494  0.878412  0.529400  1
  Sm  Sm42  1  0.750494  0.346874  0.587733  1
  Sm  Sm43  1  0.750494  0.714038  0.536199  1
  Sm  Sm44  1  0.750494  0.184281  0.593852  1
  Sm  Sm45  1  0.750494  0.127470  0.532540  1
  Sm  Sm46  1  0.750494  0.596288  0.588551  1
  Sm  Sm47  1  0.750494  0.930065  0.600104  1
  Sm  Sm48  1  0.750494  0.458176  0.547291  1
  Sm  Sm49  1  0.250494  0.873323  0.674164  1
  Sm  Sm50  1  0.250494  0.405596  0.620577  1
  Sm  Sm51  1  0.250494  0.738022  0.629951  1
  Sm  Sm52  1  0.250494  0.205136  0.687953  1
  Sm  Sm53  1  0.250494  0.149567  0.628106  1
  Sm  Sm54  1  0.250494  0.625345  0.686941  1
  Sm  Sm55  1  0.250494  0.986503  0.633239  1
  Sm  Sm56  1  0.250494  0.452660  0.693216  1
  Sm  Sm57  1  0.750494  0.817696  0.638190  1
  Sm  Sm58  1  0.750494  0.291867  0.698812  1
  Sm  Sm59  1  0.750494  0.653477  0.647589  1
  Sm  Sm60  1  0.750494  0.112147  0.707318  1
  Sm  Sm61  1  0.750494  0.066416  0.644566  1
  Sm  Sm62  1  0.750494  0.541399  0.699472  1
  Sm  Sm63  1  0.750494  0.862483  0.713022  1
  Sm  Sm64  1  0.750494  0.400690  0.656948  1
  Al  Al65  1  0.502184  0.931471  0.354021  1
  Al  Al66  1  0.501020  0.467099  0.304163  1
  Al  Al67  1  0.500307  0.177648  0.362289  1
  Al  Al68  1  0.503632  0.703425  0.314120  1
  Al  Al69  1  0.250494  0.040068  0.282148  1
  Al  Al70  1  0.250494  0.520490  0.339764  1
  Al  Al71  1  0.250494  0.265091  0.341149  1
  Al  Al72  1  0.250494  0.784288  0.290053  1
  Al  Al73  1  0.998804  0.931471  0.354021  1
  Al  Al74  1  0.999968  0.467099  0.304163  1
  Al  Al75  1  0.000681  0.177648  0.362289  1
  Al  Al76  1  0.997357  0.703425  0.314120  1
  Al  Al77  1  0.750494  0.845474  0.374731  1
  Al  Al78  1  0.750494  0.377539  0.320593  1
  Al  Al79  1  0.750494  0.122285  0.324639  1
  Al  Al80  1  0.750494  0.590642  0.383653  1
  Al  Al81  1  0.500718  0.871484  0.466391  1
  Al  Al82  1  0.499116  0.400646  0.412025  1
  Al  Al83  1  0.501697  0.116479  0.474469  1
  Al  Al84  1  0.500957  0.646031  0.421169  1
  Al  Al85  1  0.250494  0.985572  0.392263  1
  Al  Al86  1  0.250494  0.455330  0.449825  1
  Al  Al87  1  0.250494  0.202885  0.454131  1
  Al  Al88  1  0.250494  0.733771  0.400933  1
  Al  Al89  1  1.000270  0.871484  0.466391  1
  Al  Al90  1  0.001872  0.400646  0.412025  1
  Al  Al91  1  0.999291  0.116479  0.474469  1
  Al  Al92  1  1.000031  0.646031  0.421169  1
  Al  Al93  1  0.750494  0.784305  0.486962  1
  Al  Al94  1  0.750494  0.314112  0.432133  1
  Al  Al95  1  0.750494  0.061259  0.436856  1
  Al  Al96  1  0.750494  0.529685  0.494891  1
  Al  Al97  1  0.500031  0.810300  0.577038  1
  Al  Al98  1  0.499291  0.339851  0.523738  1
  Al  Al99  1  0.501872  0.055685  0.586182  1
  Al  Al100  1  0.500270  0.584847  0.531816  1
  Al  Al101  1  0.250494  0.926646  0.503316  1
  Al  Al102  1  0.250494  0.395071  0.561352  1
  Al  Al103  1  0.250494  0.142218  0.566075  1
  Al  Al104  1  0.250494  0.672026  0.511245  1
  Al  Al105  1  0.000957  0.810300  0.577038  1
  Al  Al106  1  0.001697  0.339851  0.523738  1
  Al  Al107  1  0.999116  0.055685  0.586182  1
  Al  Al108  1  0.000718  0.584847  0.531816  1
  Al  Al109  1  0.750494  0.722559  0.597274  1
  Al  Al110  1  0.750494  0.253445  0.544077  1
  Al  Al111  1  0.750494  1.001001  0.548383  1
  Al  Al112  1  0.750494  0.470759  0.605944  1
  Al  Al113  1  0.497357  0.752905  0.684088  1
  Al  Al114  1  0.500681  0.278682  0.635918  1
  Al  Al115  1  0.499968  0.989231  0.694044  1
  Al  Al116  1  0.498804  0.524860  0.644186  1
  Al  Al117  1  0.250494  0.865688  0.614554  1
  Al  Al118  1  0.250494  0.334046  0.673568  1
  Al  Al119  1  0.250494  0.078792  0.677615  1
  Al  Al120  1  0.250494  0.610856  0.623476  1
  Al  Al121  1  0.003632  0.752905  0.684088  1
  Al  Al122  1  1.000307  0.278682  0.635918  1
  Al  Al123  1  0.001020  0.989231  0.694044  1
  Al  Al124  1  0.002184  0.524860  0.644186  1
  Al  Al125  1  0.750494  0.672042  0.708154  1
  Al  Al126  1  0.750494  0.191239  0.657058  1
  Al  Al127  1  0.750494  0.935841  0.658444  1
  Al  Al128  1  0.750494  0.416262  0.716059  1
