# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95871768
_cell_length_b   35.27409301
_cell_length_c   51.06520333
_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   'Sm96 Al96'
_cell_volume   10733.3114342
_cell_formula_units_Z   96
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  0.659002  0.082590  0.380551  1
  Sm  Sm2  1  0.634743  0.434317  0.302827  1
  Sm  Sm3  1  0.672217  0.757061  0.346006  1
  Sm  Sm4  1  0.883349  0.206457  0.278935  1
  Sm  Sm5  1  0.862778  0.534102  0.314034  1
  Sm  Sm6  1  0.885218  0.858918  0.356669  1
  Sm  Sm7  1  0.352636  0.920139  0.362685  1
  Sm  Sm8  1  0.369295  0.270950  0.284857  1
  Sm  Sm9  1  0.356194  0.597300  0.321095  1
  Sm  Sm10  1  0.129045  0.022882  0.372860  1
  Sm  Sm11  1  0.127915  0.371245  0.296185  1
  Sm  Sm12  1  0.136392  0.694875  0.336629  1
  Sm  Sm13  1  0.886051  0.145455  0.330240  1
  Sm  Sm14  1  0.869853  0.470651  0.368779  1
  Sm  Sm15  1  0.887835  0.821831  0.292519  1
  Sm  Sm16  1  0.658022  0.247998  0.343847  1
  Sm  Sm17  1  0.645152  0.572023  0.380647  1
  Sm  Sm18  1  0.654513  0.923021  0.302415  1
  Sm  Sm19  1  0.141336  0.985901  0.307773  1
  Sm  Sm20  1  0.129677  0.308957  0.350055  1
  Sm  Sm21  1  0.116944  0.631852  0.388688  1
  Sm  Sm22  1  0.371117  0.087056  0.318095  1
  Sm  Sm23  1  0.343972  0.409824  0.361964  1
  Sm  Sm24  1  0.375635  0.760014  0.285407  1
  Sm  Sm25  1  0.667675  0.056245  0.490468  1
  Sm  Sm26  1  0.668734  0.407164  0.417739  1
  Sm  Sm27  1  0.664444  0.731619  0.455823  1
  Sm  Sm28  1  0.880792  0.186050  0.391423  1
  Sm  Sm29  1  0.880704  0.511684  0.429444  1
  Sm  Sm30  1  0.882378  0.835426  0.467367  1
  Sm  Sm31  1  0.332943  0.893912  0.472965  1
  Sm  Sm32  1  0.326920  0.244701  0.398718  1
  Sm  Sm33  1  0.326665  0.569392  0.437239  1
  Sm  Sm34  1  0.117885  0.997736  0.484040  1
  Sm  Sm35  1  0.115241  0.349116  0.410727  1
  Sm  Sm36  1  0.114210  0.673489  0.449801  1
  Sm  Sm37  1  0.882288  0.119314  0.440504  1
  Sm  Sm38  1  0.881263  0.444046  0.478972  1
  Sm  Sm39  1  0.883453  0.794052  0.406199  1
  Sm  Sm40  1  0.666435  0.223168  0.452881  1
  Sm  Sm41  1  0.665884  0.547525  0.491472  1
  Sm  Sm42  1  0.674026  0.897863  0.416723  1
  Sm  Sm43  1  0.119949  0.956401  0.422137  1
  Sm  Sm44  1  0.116737  0.281690  0.460162  1
  Sm  Sm45  1  0.115530  0.605954  0.498901  1
  Sm  Sm46  1  0.330684  0.060624  0.434024  1
  Sm  Sm47  1  0.331494  0.385369  0.472220  1
  Sm  Sm48  1  0.328831  0.735674  0.398664  1
  Sm  Sm49  1  0.669804  0.030448  0.602574  1
  Sm  Sm50  1  0.667140  0.380753  0.529018  1
  Sm  Sm51  1  0.667951  0.705498  0.567214  1
  Sm  Sm52  1  0.883104  0.160167  0.502336  1
  Sm  Sm53  1  0.881898  0.484432  0.541076  1
  Sm  Sm54  1  0.878685  0.809721  0.579101  1
  Sm  Sm55  1  0.324608  0.868259  0.584514  1
  Sm  Sm56  1  0.332750  0.218597  0.509765  1
  Sm  Sm57  1  0.332200  0.542954  0.548356  1
  Sm  Sm58  1  0.115182  0.972070  0.595039  1
  Sm  Sm59  1  0.117372  0.322076  0.522266  1
  Sm  Sm60  1  0.116346  0.646808  0.560734  1
  Sm  Sm61  1  0.884425  0.092633  0.551437  1
  Sm  Sm62  1  0.883393  0.417005  0.590510  1
  Sm  Sm63  1  0.880750  0.768386  0.517198  1
  Sm  Sm64  1  0.671970  0.196729  0.563999  1
  Sm  Sm65  1  0.671715  0.521421  0.602520  1
  Sm  Sm66  1  0.665691  0.872209  0.528273  1
  Sm  Sm67  1  0.116256  0.930696  0.533870  1
  Sm  Sm68  1  0.117930  0.254438  0.571794  1
  Sm  Sm69  1  0.117843  0.580072  0.609815  1
  Sm  Sm70  1  0.334190  0.034503  0.545415  1
  Sm  Sm71  1  0.329901  0.358958  0.583498  1
  Sm  Sm72  1  0.330959  0.709877  0.510769  1
  Sm  Sm73  1  0.622999  0.006108  0.715830  1
  Sm  Sm74  1  0.654663  0.356298  0.639274  1
  Sm  Sm75  1  0.627517  0.679066  0.683142  1
  Sm  Sm76  1  0.881691  0.134270  0.612549  1
  Sm  Sm77  1  0.868958  0.457165  0.651183  1
  Sm  Sm78  1  0.857299  0.780221  0.693465  1
  Sm  Sm79  1  0.344121  0.843101  0.698822  1
  Sm  Sm80  1  0.353482  0.194099  0.620591  1
  Sm  Sm81  1  0.340613  0.518124  0.657390  1
  Sm  Sm82  1  0.110800  0.944291  0.708718  1
  Sm  Sm83  1  0.128781  0.295471  0.632458  1
  Sm  Sm84  1  0.112584  0.620667  0.670998  1
  Sm  Sm85  1  0.862243  0.071247  0.664608  1
  Sm  Sm86  1  0.870720  0.394877  0.705053  1
  Sm  Sm87  1  0.869589  0.743240  0.628377  1
  Sm  Sm88  1  0.642441  0.168822  0.680142  1
  Sm  Sm89  1  0.629339  0.495172  0.716380  1
  Sm  Sm90  1  0.645998  0.845983  0.638552  1
  Sm  Sm91  1  0.113417  0.907204  0.644568  1
  Sm  Sm92  1  0.135856  0.232020  0.687204  1
  Sm  Sm93  1  0.115286  0.559665  0.722303  1
  Sm  Sm94  1  0.326417  0.009061  0.655231  1
  Sm  Sm95  1  0.363892  0.331805  0.698410  1
  Sm  Sm96  1  0.339633  0.683532  0.620686  1
  Al  Al97  1  0.403636  0.166048  0.360111  1
  Al  Al98  1  0.365596  0.514326  0.292249  1
  Al  Al99  1  0.416281  0.839246  0.324630  1
  Al  Al100  1  0.599144  0.002845  0.343450  1
  Al  Al101  1  0.601604  0.329199  0.379443  1
  Al  Al102  1  0.615317  0.679272  0.311257  1
  Al  Al103  1  0.150296  0.109158  0.380307  1
  Al  Al104  1  0.124689  0.455421  0.316169  1
  Al  Al105  1  0.157512  0.782644  0.344630  1
  Al  Al106  1  0.865647  0.946143  0.361104  1
  Al  Al107  1  0.875899  0.291494  0.297621  1
  Al  Al108  1  0.865478  0.617666  0.334429  1
  Al  Al109  1  0.400416  0.180464  0.305758  1
  Al  Al110  1  0.401933  0.502441  0.344323  1
  Al  Al111  1  0.406834  0.826636  0.380042  1
  Al  Al112  1  0.635538  0.013829  0.291110  1
  Al  Al113  1  0.600040  0.340777  0.323552  1
  Al  Al114  1  0.594359  0.663755  0.363960  1
  Al  Al115  1  0.144775  0.224306  0.336706  1
  Al  Al116  1  0.133828  0.548292  0.372832  1
  Al  Al117  1  0.146638  0.896956  0.309090  1
  Al  Al118  1  0.877062  0.059112  0.325379  1
  Al  Al119  1  0.856349  0.386041  0.354398  1
  Al  Al120  1  0.882904  0.733126  0.291209  1
  Al  Al121  1  0.410887  0.139741  0.471566  1
  Al  Al122  1  0.395134  0.491600  0.398800  1
  Al  Al123  1  0.411281  0.814559  0.436337  1
  Al  Al124  1  0.590289  0.977215  0.453391  1
  Al  Al125  1  0.588568  0.301948  0.491085  1
  Al  Al126  1  0.587506  0.652742  0.418724  1
  Al  Al127  1  0.153776  0.083884  0.493641  1
  Al  Al128  1  0.152305  0.435029  0.420925  1
  Al  Al129  1  0.151537  0.759313  0.458994  1
  Al  Al130  1  0.847102  0.921620  0.476046  1
  Al  Al131  1  0.844295  0.272539  0.402080  1
  Al  Al132  1  0.842124  0.597042  0.440512  1
  Al  Al133  1  0.403514  0.152362  0.415735  1
  Al  Al134  1  0.409076  0.477461  0.454534  1
  Al  Al135  1  0.410156  0.801899  0.492118  1
  Al  Al136  1  0.603965  0.988973  0.397471  1
  Al  Al137  1  0.588059  0.315269  0.435467  1
  Al  Al138  1  0.586914  0.639603  0.474157  1
  Al  Al139  1  0.152563  0.195519  0.449626  1
  Al  Al140  1  0.151818  0.519999  0.488218  1
  Al  Al141  1  0.158907  0.870156  0.413526  1
  Al  Al142  1  0.847433  0.032868  0.430837  1
  Al  Al143  1  0.845785  0.357810  0.469143  1
  Al  Al144  1  0.847367  0.707984  0.396071  1
  Al  Al145  1  0.411128  0.113380  0.582513  1
  Al  Al146  1  0.410067  0.464173  0.510152  1
  Al  Al147  1  0.408345  0.788907  0.547847  1
  Al  Al148  1  0.587353  0.951562  0.564901  1
  Al  Al149  1  0.603500  0.274522  0.602438  1
  Al  Al150  1  0.587748  0.626381  0.529671  1
  Al  Al151  1  0.151267  0.058137  0.605167  1
  Al  Al152  1  0.152850  0.408312  0.532095  1
  Al  Al153  1  0.151202  0.733254  0.570401  1
  Al  Al154  1  0.839727  0.895966  0.587711  1
  Al  Al155  1  0.846817  0.246123  0.513020  1
  Al  Al156  1  0.846072  0.570603  0.551611  1
  Al  Al157  1  0.411720  0.126519  0.527080  1
  Al  Al158  1  0.410576  0.450853  0.565771  1
  Al  Al159  1  0.394670  0.777149  0.603766  1
  Al  Al160  1  0.588478  0.964223  0.509120  1
  Al  Al161  1  0.589559  0.288660  0.546703  1
  Al  Al162  1  0.595121  0.613760  0.585502  1
  Al  Al163  1  0.156510  0.169080  0.560725  1
  Al  Al164  1  0.154340  0.493583  0.599157  1
  Al  Al165  1  0.151533  0.844502  0.525191  1
  Al  Al166  1  0.847097  0.006809  0.542243  1
  Al  Al167  1  0.846330  0.331093  0.580313  1
  Al  Al168  1  0.844859  0.682238  0.507597  1
  Al  Al169  1  0.383318  0.086850  0.689980  1
  Al  Al170  1  0.397030  0.436923  0.621795  1
  Al  Al171  1  0.399491  0.763277  0.657788  1
  Al  Al172  1  0.582354  0.926876  0.676608  1
  Al  Al173  1  0.633038  0.251796  0.708988  1
  Al  Al174  1  0.594999  0.600074  0.641126  1
  Al  Al175  1  0.115730  0.032996  0.710028  1
  Al  Al176  1  0.142286  0.380081  0.646839  1
  Al  Al177  1  0.121573  0.707010  0.675858  1
  Al  Al178  1  0.851997  0.869165  0.692147  1
  Al  Al179  1  0.864806  0.217830  0.628405  1
  Al  Al180  1  0.853860  0.541816  0.664532  1
  Al  Al181  1  0.404276  0.102366  0.637278  1
  Al  Al182  1  0.398595  0.425345  0.677685  1
  Al  Al183  1  0.363096  0.752293  0.710127  1
  Al  Al184  1  0.591801  0.939486  0.621195  1
  Al  Al185  1  0.596702  0.263681  0.656914  1
  Al  Al186  1  0.598219  0.585658  0.695479  1
  Al  Al187  1  0.133157  0.148456  0.666808  1
  Al  Al188  1  0.122736  0.474627  0.703616  1
  Al  Al189  1  0.132988  0.819979  0.640133  1
  Al  Al190  1  0.841123  0.983477  0.656608  1
  Al  Al191  1  0.873946  0.310701  0.685068  1
  Al  Al192  1  0.848338  0.656964  0.620931  1
