# generated using pymatgen
data_SmAl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.11903809
_cell_length_b   15.23107658
_cell_length_c   49.84210402
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl4
_chemical_formula_sum   'Sm36 Al144'
_cell_volume   8441.00556901
_cell_formula_units_Z   36
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  0.007764  0.412688  0.346669  1
  Sm  Sm2  1  0.007764  0.190984  0.301883  1
  Sm  Sm3  1  0.007764  0.799537  0.322862  1
  Sm  Sm4  1  0.507764  0.605214  0.335322  1
  Sm  Sm5  1  0.507764  0.372476  0.291509  1
  Sm  Sm6  1  0.507764  0.988784  0.312486  1
  Sm  Sm7  1  0.007764  0.258822  0.418150  1
  Sm  Sm8  1  0.007764  0.028286  0.369036  1
  Sm  Sm9  1  0.007764  0.643328  0.392977  1
  Sm  Sm10  1  0.507764  0.451231  0.406513  1
  Sm  Sm11  1  0.507764  0.218975  0.357582  1
  Sm  Sm12  1  0.507764  0.835392  0.382486  1
  Sm  Sm13  1  0.007764  0.104119  0.489160  1
  Sm  Sm14  1  0.007764  0.873817  0.441374  1
  Sm  Sm15  1  0.007764  0.489163  0.465434  1
  Sm  Sm16  1  0.507764  0.296454  0.477576  1
  Sm  Sm17  1  0.507764  0.065978  0.429796  1
  Sm  Sm18  1  0.507764  0.681339  0.453457  1
  Sm  Sm19  1  0.007764  0.950038  0.560639  1
  Sm  Sm20  1  0.007764  0.719563  0.512859  1
  Sm  Sm21  1  0.007764  0.334677  0.536978  1
  Sm  Sm22  1  0.507764  0.142200  0.549062  1
  Sm  Sm23  1  0.507764  0.911897  0.501276  1
  Sm  Sm24  1  0.507764  0.526854  0.525001  1
  Sm  Sm25  1  0.007764  0.797042  0.632853  1
  Sm  Sm26  1  0.007764  0.564785  0.583923  1
  Sm  Sm27  1  0.007764  0.180625  0.607949  1
  Sm  Sm28  1  0.507764  0.987731  0.621399  1
  Sm  Sm29  1  0.507764  0.757195  0.572285  1
  Sm  Sm30  1  0.507764  0.372689  0.597458  1
  Sm  Sm31  1  0.007764  0.643541  0.698926  1
  Sm  Sm32  1  0.007764  0.410803  0.655113  1
  Sm  Sm33  1  0.007764  0.027233  0.677950  1
  Sm  Sm34  1  0.507764  0.825033  0.688552  1
  Sm  Sm35  1  0.507764  0.603329  0.643766  1
  Sm  Sm36  1  0.507764  0.216480  0.667573  1
  Al  Al37  1  0.120625  0.600712  0.331578  1
  Al  Al38  1  0.128966  0.380491  0.287467  1
  Al  Al39  1  0.125069  1.000493  0.306803  1
  Al  Al40  1  0.280200  0.494339  0.309576  1
  Al  Al41  1  0.261532  0.107588  0.334903  1
  Al  Al42  1  0.254688  0.869273  0.288791  1
  Al  Al43  1  0.266640  0.681154  0.298518  1
  Al  Al44  1  0.261645  0.296548  0.323305  1
  Al  Al45  1  0.248826  0.917112  0.345336  1
  Al  Al46  1  0.394254  0.413118  0.348514  1
  Al  Al47  1  0.385341  0.177190  0.294895  1
  Al  Al48  1  0.394529  0.798241  0.324805  1
  Al  Al49  1  0.621275  0.413118  0.348514  1
  Al  Al50  1  0.630188  0.177190  0.294895  1
  Al  Al51  1  0.621000  0.798241  0.324805  1
  Al  Al52  1  0.748888  0.681154  0.298518  1
  Al  Al53  1  0.753884  0.296548  0.323305  1
  Al  Al54  1  0.766703  0.917112  0.345336  1
  Al  Al55  1  0.735328  0.494339  0.309576  1
  Al  Al56  1  0.753997  0.107588  0.334903  1
  Al  Al57  1  0.760840  0.869273  0.288791  1
  Al  Al58  1  0.894903  0.600712  0.331578  1
  Al  Al59  1  0.886563  0.380491  0.287467  1
  Al  Al60  1  0.890460  1.000493  0.306803  1
  Al  Al61  1  0.120223  0.451992  0.406210  1
  Al  Al62  1  0.120771  0.221302  0.359140  1
  Al  Al63  1  0.120639  0.836331  0.381806  1
  Al  Al64  1  0.256772  0.335715  0.382896  1
  Al  Al65  1  0.257828  0.950352  0.406024  1
  Al  Al66  1  0.251983  0.717802  0.358117  1
  Al  Al67  1  0.252764  0.529834  0.369796  1
  Al  Al68  1  0.258724  0.142525  0.394059  1
  Al  Al69  1  0.257300  0.758773  0.417583  1
  Al  Al70  1  0.395487  0.258232  0.417937  1
  Al  Al71  1  0.394802  0.025722  0.370387  1
  Al  Al72  1  0.394745  0.643379  0.393613  1
  Al  Al73  1  0.620042  0.258232  0.417937  1
  Al  Al74  1  0.620727  0.025722  0.370387  1
  Al  Al75  1  0.620784  0.643379  0.393613  1
  Al  Al76  1  0.762765  0.529834  0.369796  1
  Al  Al77  1  0.756804  0.142525  0.394059  1
  Al  Al78  1  0.758229  0.758773  0.417583  1
  Al  Al79  1  0.758757  0.335715  0.382896  1
  Al  Al80  1  0.757701  0.950352  0.406024  1
  Al  Al81  1  0.763545  0.717802  0.358117  1
  Al  Al82  1  0.895305  0.451992  0.406210  1
  Al  Al83  1  0.894758  0.221302  0.359140  1
  Al  Al84  1  0.894889  0.836331  0.381806  1
  Al  Al85  1  0.120387  0.296592  0.477532  1
  Al  Al86  1  0.120095  0.066232  0.429432  1
  Al  Al87  1  0.120162  0.681277  0.453064  1
  Al  Al88  1  0.258083  0.181181  0.453605  1
  Al  Al89  1  0.257551  0.796380  0.477256  1
  Al  Al90  1  0.259671  0.566397  0.429688  1
  Al  Al91  1  0.257228  0.373725  0.441831  1
  Al  Al92  1  0.256696  0.989280  0.465373  1
  Al  Al93  1  0.256621  0.604564  0.489074  1
  Al  Al94  1  0.395189  0.104072  0.489332  1
  Al  Al95  1  0.395135  0.873716  0.441844  1
  Al  Al96  1  0.395131  0.488953  0.465695  1
  Al  Al97  1  0.620340  0.104072  0.489332  1
  Al  Al98  1  0.620394  0.873716  0.441844  1
  Al  Al99  1  0.620397  0.488953  0.465695  1
  Al  Al100  1  0.758301  0.373725  0.441831  1
  Al  Al101  1  0.758833  0.989280  0.465373  1
  Al  Al102  1  0.758908  0.604564  0.489074  1
  Al  Al103  1  0.757446  0.181181  0.453605  1
  Al  Al104  1  0.757977  0.796380  0.477256  1
  Al  Al105  1  0.755858  0.566397  0.429688  1
  Al  Al106  1  0.895142  0.296592  0.477532  1
  Al  Al107  1  0.895433  0.066232  0.429432  1
  Al  Al108  1  0.895366  0.681277  0.453064  1
  Al  Al109  1  0.120394  0.142301  0.548591  1
  Al  Al110  1  0.120340  0.911945  0.501103  1
  Al  Al111  1  0.120397  0.527064  0.524740  1
  Al  Al112  1  0.258833  0.026737  0.525063  1
  Al  Al113  1  0.258301  0.642292  0.548604  1
  Al  Al114  1  0.258908  0.411453  0.501361  1
  Al  Al115  1  0.257977  0.219636  0.513179  1
  Al  Al116  1  0.257446  0.834836  0.536830  1
  Al  Al117  1  0.255858  0.449620  0.560747  1
  Al  Al118  1  0.395433  0.949785  0.561004  1
  Al  Al119  1  0.395142  0.719425  0.512903  1
  Al  Al120  1  0.395366  0.334740  0.537371  1
  Al  Al121  1  0.620095  0.949785  0.561004  1
  Al  Al122  1  0.620387  0.719425  0.512903  1
  Al  Al123  1  0.620162  0.334740  0.537371  1
  Al  Al124  1  0.757551  0.219636  0.513179  1
  Al  Al125  1  0.758083  0.834836  0.536830  1
  Al  Al126  1  0.759671  0.449620  0.560747  1
  Al  Al127  1  0.756696  0.026737  0.525063  1
  Al  Al128  1  0.757228  0.642292  0.548604  1
  Al  Al129  1  0.756621  0.411453  0.501361  1
  Al  Al130  1  0.895135  0.142301  0.548591  1
  Al  Al131  1  0.895189  0.911945  0.501103  1
  Al  Al132  1  0.895131  0.527064  0.524740  1
  Al  Al133  1  0.120727  0.990294  0.620048  1
  Al  Al134  1  0.120042  0.757785  0.572498  1
  Al  Al135  1  0.120784  0.372638  0.596822  1
  Al  Al136  1  0.256804  0.873492  0.596376  1
  Al  Al137  1  0.262765  0.486183  0.620639  1
  Al  Al138  1  0.258229  0.257244  0.572852  1
  Al  Al139  1  0.257701  0.065665  0.584412  1
  Al  Al140  1  0.258757  0.680302  0.607539  1
  Al  Al141  1  0.263545  0.298214  0.632318  1
  Al  Al142  1  0.394758  0.794715  0.631296  1
  Al  Al143  1  0.395305  0.564025  0.584225  1
  Al  Al144  1  0.394889  0.179686  0.608629  1
  Al  Al145  1  0.620771  0.794715  0.631296  1
  Al  Al146  1  0.620223  0.564025  0.584225  1
  Al  Al147  1  0.620639  0.179686  0.608629  1
  Al  Al148  1  0.757828  0.065665  0.584412  1
  Al  Al149  1  0.756772  0.680302  0.607539  1
  Al  Al150  1  0.751983  0.298214  0.632318  1
  Al  Al151  1  0.758724  0.873492  0.596376  1
  Al  Al152  1  0.752764  0.486183  0.620639  1
  Al  Al153  1  0.757300  0.257244  0.572852  1
  Al  Al154  1  0.894802  0.990294  0.620048  1
  Al  Al155  1  0.895487  0.757785  0.572498  1
  Al  Al156  1  0.894745  0.372638  0.596822  1
  Al  Al157  1  0.130188  0.838827  0.695540  1
  Al  Al158  1  0.121275  0.602898  0.641921  1
  Al  Al159  1  0.121000  0.217776  0.665630  1
  Al  Al160  1  0.253884  0.719469  0.667131  1
  Al  Al161  1  0.248888  0.334863  0.691917  1
  Al  Al162  1  0.266703  0.098905  0.645099  1
  Al  Al163  1  0.253997  0.908429  0.655533  1
  Al  Al164  1  0.235328  0.521677  0.680860  1
  Al  Al165  1  0.260840  0.146744  0.701644  1
  Al  Al166  1  0.386563  0.635525  0.702968  1
  Al  Al167  1  0.394903  0.415305  0.658858  1
  Al  Al168  1  0.390460  0.015524  0.683632  1
  Al  Al169  1  0.628966  0.635525  0.702968  1
  Al  Al170  1  0.620625  0.415305  0.658858  1
  Al  Al171  1  0.625069  0.015524  0.683632  1
  Al  Al172  1  0.761532  0.908429  0.655533  1
  Al  Al173  1  0.780200  0.521677  0.680860  1
  Al  Al174  1  0.754688  0.146744  0.701644  1
  Al  Al175  1  0.761645  0.719469  0.667131  1
  Al  Al176  1  0.766640  0.334863  0.691917  1
  Al  Al177  1  0.748826  0.098905  0.645099  1
  Al  Al178  1  0.885341  0.838827  0.695540  1
  Al  Al179  1  0.894254  0.602898  0.641921  1
  Al  Al180  1  0.894529  0.217776  0.665630  1
