# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74707781
_cell_length_b   35.21674812
_cell_length_c   52.83946169
_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   10694.3578694
_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  0.250909  0.404442  0.369563  1
  Sm  Sm2  1  0.250909  0.076920  0.332839  1
  Sm  Sm3  1  0.250909  0.762653  0.293738  1
  Sm  Sm4  1  0.250909  0.303233  0.328598  1
  Sm  Sm5  1  0.250909  0.979617  0.296231  1
  Sm  Sm6  1  0.250909  0.632536  0.370957  1
  Sm  Sm7  1  0.250909  0.591037  0.313151  1
  Sm  Sm8  1  0.250909  0.232520  0.385829  1
  Sm  Sm9  1  0.250909  0.909399  0.350983  1
  Sm  Sm10  1  0.250909  0.477836  0.326617  1
  Sm  Sm11  1  0.250909  0.141320  0.288407  1
  Sm  Sm12  1  0.250909  0.798758  0.367035  1
  Sm  Sm13  1  0.750909  0.362732  0.338899  1
  Sm  Sm14  1  0.750909  0.039270  0.299925  1
  Sm  Sm15  1  0.750909  0.686655  0.377772  1
  Sm  Sm16  1  0.750909  0.251088  0.352650  1
  Sm  Sm17  1  0.750909  0.922231  0.311181  1
  Sm  Sm18  1  0.750909  0.617600  0.277394  1
  Sm  Sm19  1  0.750909  0.532532  0.330946  1
  Sm  Sm20  1  0.750909  0.207905  0.295540  1
  Sm  Sm21  1  0.750909  0.854325  0.372520  1
  Sm  Sm22  1  0.750909  0.435100  0.291960  1
  Sm  Sm23  1  0.750909  0.079686  0.369218  1
  Sm  Sm24  1  0.750909  0.757458  0.333899  1
  Sm  Sm25  1  0.250909  0.376772  0.480276  1
  Sm  Sm26  1  0.250909  0.053158  0.442453  1
  Sm  Sm27  1  0.250909  0.727935  0.407853  1
  Sm  Sm28  1  0.250909  0.278764  0.443484  1
  Sm  Sm29  1  0.250909  0.954688  0.406909  1
  Sm  Sm30  1  0.250909  0.602479  0.482147  1
  Sm  Sm31  1  0.250909  0.557195  0.424863  1
  Sm  Sm32  1  0.250909  0.205784  0.498629  1
  Sm  Sm33  1  0.250909  0.881604  0.462706  1
  Sm  Sm34  1  0.250909  0.447326  0.436581  1
  Sm  Sm35  1  0.250909  0.123222  0.398892  1
  Sm  Sm36  1  0.250909  0.771233  0.475465  1
  Sm  Sm37  1  0.750909  0.333481  0.450804  1
  Sm  Sm38  1  0.750909  0.009187  0.412316  1
  Sm  Sm39  1  0.750909  0.656557  0.488818  1
  Sm  Sm40  1  0.750909  0.223933  0.462753  1
  Sm  Sm41  1  0.750909  0.900687  0.426109  1
  Sm  Sm42  1  0.750909  0.575987  0.388580  1
  Sm  Sm43  1  0.750909  0.501593  0.442883  1
  Sm  Sm44  1  0.750909  0.177840  0.405635  1
  Sm  Sm45  1  0.750909  0.825575  0.481092  1
  Sm  Sm46  1  0.750909  0.403891  0.406634  1
  Sm  Sm47  1  0.750909  0.052641  0.480624  1
  Sm  Sm48  1  0.750909  0.727746  0.445878  1
  Sm  Sm49  1  0.250909  0.349009  0.592529  1
  Sm  Sm50  1  0.250909  0.025154  0.553285  1
  Sm  Sm51  1  0.250909  0.700260  0.518538  1
  Sm  Sm52  1  0.250909  0.251307  0.556280  1
  Sm  Sm53  1  0.250909  0.927325  0.518070  1
  Sm  Sm54  1  0.250909  0.575060  0.593527  1
  Sm  Sm55  1  0.250909  0.528967  0.536409  1
  Sm  Sm56  1  0.250909  0.176913  0.610583  1
  Sm  Sm57  1  0.250909  0.852213  0.573053  1
  Sm  Sm58  1  0.250909  0.419419  0.548359  1
  Sm  Sm59  1  0.250909  0.096343  0.510344  1
  Sm  Sm60  1  0.250909  0.743714  0.586846  1
  Sm  Sm61  1  0.750909  0.305574  0.562581  1
  Sm  Sm62  1  0.750909  0.981668  0.523697  1
  Sm  Sm63  1  0.750909  0.629678  0.600270  1
  Sm  Sm64  1  0.750909  0.195705  0.574300  1
  Sm  Sm65  1  0.750909  0.871297  0.536456  1
  Sm  Sm66  1  0.750909  0.547116  0.500533  1
  Sm  Sm67  1  0.750909  0.474137  0.555678  1
  Sm  Sm68  1  0.750909  0.150421  0.517015  1
  Sm  Sm69  1  0.750909  0.798212  0.592253  1
  Sm  Sm70  1  0.750909  0.376128  0.518886  1
  Sm  Sm71  1  0.750909  0.024965  0.591310  1
  Sm  Sm72  1  0.750909  0.699742  0.556709  1
  Sm  Sm73  1  0.250909  0.317800  0.707203  1
  Sm  Sm74  1  0.250909  0.995442  0.665263  1
  Sm  Sm75  1  0.250909  0.673214  0.629944  1
  Sm  Sm76  1  0.250909  0.220368  0.668216  1
  Sm  Sm77  1  0.250909  0.898576  0.626642  1
  Sm  Sm78  1  0.250909  0.544996  0.703623  1
  Sm  Sm79  1  0.250909  0.501812  0.646512  1
  Sm  Sm80  1  0.250909  0.135301  0.721769  1
  Sm  Sm81  1  0.250909  0.830669  0.687982  1
  Sm  Sm82  1  0.250909  0.390168  0.660263  1
  Sm  Sm83  1  0.250909  0.066246  0.621390  1
  Sm  Sm84  1  0.250909  0.713631  0.699237  1
  Sm  Sm85  1  0.750909  0.275065  0.672545  1
  Sm  Sm86  1  0.750909  0.954142  0.632128  1
  Sm  Sm87  1  0.750909  0.611580  0.710755  1
  Sm  Sm88  1  0.750909  0.161863  0.686012  1
  Sm  Sm89  1  0.750909  0.843501  0.648179  1
  Sm  Sm90  1  0.750909  0.520381  0.613333  1
  Sm  Sm91  1  0.750909  0.449667  0.670565  1
  Sm  Sm92  1  0.750909  0.120364  0.628205  1
  Sm  Sm93  1  0.750909  0.773283  0.702932  1
  Sm  Sm94  1  0.750909  0.348458  0.629600  1
  Sm  Sm95  1  0.750909  0.990247  0.705425  1
  Sm  Sm96  1  0.750909  0.675980  0.666323  1
  Al  Al97  1  0.504309  0.351702  0.282188  1
  Al  Al98  1  0.503247  0.995976  0.350155  1
  Al  Al99  1  0.501442  0.677141  0.316636  1
  Al  Al100  1  0.501308  0.488449  0.386665  1
  Al  Al101  1  0.500426  0.162798  0.349408  1
  Al  Al102  1  0.498195  0.838665  0.320762  1
  Al  Al103  1  0.250909  0.394006  0.313241  1
  Al  Al104  1  0.250909  0.037435  0.385560  1
  Al  Al105  1  0.250909  0.717011  0.350047  1
  Al  Al106  1  0.250909  0.546450  0.364277  1
  Al  Al107  1  0.250909  0.217421  0.324047  1
  Al  Al108  1  0.250909  0.888158  0.291512  1
  Al  Al109  1  0.997509  0.351702  0.282188  1
  Al  Al110  1  0.998571  0.995976  0.350155  1
  Al  Al111  1  1.000376  0.677141  0.316636  1
  Al  Al112  1  1.000510  0.488449  0.386665  1
  Al  Al113  1  0.001392  0.162798  0.349408  1
  Al  Al114  1  0.003624  0.838665  0.320762  1
  Al  Al115  1  0.750909  0.293593  0.301597  1
  Al  Al116  1  0.750909  0.940711  0.373482  1
  Al  Al117  1  0.750909  0.619498  0.338515  1
  Al  Al118  1  0.750909  0.446948  0.351645  1
  Al  Al119  1  0.750909  0.121862  0.314923  1
  Al  Al120  1  0.750909  0.806896  0.283161  1
  Al  Al121  1  0.498218  0.320527  0.387134  1
  Al  Al122  1  0.501061  0.969450  0.462241  1
  Al  Al123  1  0.500886  0.644753  0.426742  1
  Al  Al124  1  0.501828  0.459676  0.499134  1
  Al  Al125  1  0.501391  0.136255  0.461027  1
  Al  Al126  1  0.500918  0.811878  0.426596  1
  Al  Al127  1  0.250909  0.361793  0.422677  1
  Al  Al128  1  0.250909  0.011233  0.496297  1
  Al  Al129  1  0.250909  0.686238  0.461427  1
  Al  Al130  1  0.250909  0.515583  0.475764  1
  Al  Al131  1  0.250909  0.192236  0.437613  1
  Al  Al132  1  0.250909  0.868604  0.403206  1
  Al  Al133  1  0.003600  0.320527  0.387134  1
  Al  Al134  1  1.000757  0.969450  0.462241  1
  Al  Al135  1  0.000932  0.644753  0.426742  1
  Al  Al136  1  0.999991  0.459676  0.499134  1
  Al  Al137  1  1.000428  0.136255  0.461027  1
  Al  Al138  1  1.000901  0.811878  0.426596  1
  Al  Al139  1  0.750909  0.265412  0.411797  1
  Al  Al140  1  0.750909  0.912987  0.485694  1
  Al  Al141  1  0.750909  0.588313  0.449471  1
  Al  Al142  1  0.750909  0.418318  0.464355  1
  Al  Al143  1  0.750909  0.094115  0.426573  1
  Al  Al144  1  0.750909  0.770061  0.392106  1
  Al  Al145  1  0.499991  0.293224  0.500029  1
  Al  Al146  1  0.500901  0.941022  0.572567  1
  Al  Al147  1  0.500428  0.616645  0.538135  1
  Al  Al148  1  0.503600  0.432374  0.612028  1
  Al  Al149  1  0.500932  0.108148  0.572421  1
  Al  Al150  1  0.500757  0.783450  0.536921  1
  Al  Al151  1  0.250909  0.334582  0.534808  1
  Al  Al152  1  0.250909  0.982839  0.607057  1
  Al  Al153  1  0.250909  0.658785  0.572590  1
  Al  Al154  1  0.250909  0.487488  0.587365  1
  Al  Al155  1  0.250909  0.164587  0.549692  1
  Al  Al156  1  0.250909  0.839914  0.513469  1
  Al  Al157  1  0.001828  0.293224  0.500029  1
  Al  Al158  1  0.000918  0.941022  0.572567  1
  Al  Al159  1  0.001391  0.616645  0.538135  1
  Al  Al160  1  0.998218  0.432374  0.612028  1
  Al  Al161  1  1.000886  0.108148  0.572421  1
  Al  Al162  1  0.001061  0.783450  0.536921  1
  Al  Al163  1  0.750909  0.237317  0.523398  1
  Al  Al164  1  0.750909  0.884297  0.595956  1
  Al  Al165  1  0.750909  0.560664  0.561549  1
  Al  Al166  1  0.750909  0.391108  0.576485  1
  Al  Al167  1  0.750909  0.066662  0.537736  1
  Al  Al168  1  0.750909  0.741667  0.502866  1
  Al  Al169  1  0.500510  0.264452  0.612498  1
  Al  Al170  1  0.503624  0.914236  0.678401  1
  Al  Al171  1  0.501392  0.590102  0.649755  1
  Al  Al172  1  0.497509  0.401198  0.716974  1
  Al  Al173  1  0.500376  0.075759  0.682526  1
  Al  Al174  1  0.498571  0.756924  0.649008  1
  Al  Al175  1  0.250909  0.305952  0.647517  1
  Al  Al176  1  0.250909  0.946004  0.716002  1
  Al  Al177  1  0.250909  0.631038  0.684239  1
  Al  Al178  1  0.250909  0.459307  0.697566  1
  Al  Al179  1  0.250909  0.133402  0.660647  1
  Al  Al180  1  0.250909  0.812189  0.625680  1
  Al  Al181  1  0.001308  0.264452  0.612498  1
  Al  Al182  1  0.998195  0.914236  0.678401  1
  Al  Al183  1  1.000426  0.590102  0.649755  1
  Al  Al184  1  0.004309  0.401198  0.716974  1
  Al  Al185  1  0.001442  0.075759  0.682526  1
  Al  Al186  1  0.003247  0.756924  0.649008  1
  Al  Al187  1  0.750909  0.206451  0.634886  1
  Al  Al188  1  0.750909  0.864742  0.707651  1
  Al  Al189  1  0.750909  0.535479  0.675115  1
  Al  Al190  1  0.750909  0.358894  0.685921  1
  Al  Al191  1  0.750909  0.035889  0.649115  1
  Al  Al192  1  0.750909  0.715465  0.613603  1
